PSF 1 !NTITLE REMARKS original generated structure x-plor psf file 28463 !NATOM 1 DPE 1 DPPE N NH3L -0.300000 14.0070 0 2 DPE 1 DPPE HN1 HCL 0.330000 1.0080 0 3 DPE 1 DPPE HN2 HCL 0.330000 1.0080 0 4 DPE 1 DPPE HN3 HCL 0.330000 1.0080 0 5 DPE 1 DPPE C12 CTL2 0.130000 12.0110 0 6 DPE 1 DPPE H12A HAL2 0.090000 1.0080 0 7 DPE 1 DPPE H12B HAL2 0.090000 1.0080 0 8 DPE 1 DPPE C11 CTL2 -0.080000 12.0110 0 9 DPE 1 DPPE H11A HAL2 0.090000 1.0080 0 10 DPE 1 DPPE H11B HAL2 0.090000 1.0080 0 11 DPE 1 DPPE P PL 1.500000 30.9740 0 12 DPE 1 DPPE O13 O2L -0.780000 15.9994 0 13 DPE 1 DPPE O14 O2L -0.780000 15.9994 0 14 DPE 1 DPPE O11 OSL -0.570000 15.9994 0 15 DPE 1 DPPE O12 OSL -0.570000 15.9994 0 16 DPE 1 DPPE C1 CTL2 -0.080000 12.0110 0 17 DPE 1 DPPE HA HAL2 0.090000 1.0080 0 18 DPE 1 DPPE HB HAL2 0.090000 1.0080 0 19 DPE 1 DPPE C2 CTL1 0.040000 12.0110 0 20 DPE 1 DPPE HS HAL1 0.090000 1.0080 0 21 DPE 1 DPPE O21 OSL -0.340000 15.9994 0 22 DPE 1 DPPE C21 CL 0.630000 12.0110 0 23 DPE 1 DPPE O22 OBL -0.520000 15.9994 0 24 DPE 1 DPPE C22 CTL2 -0.080000 12.0110 0 25 DPE 1 DPPE H2R HAL2 0.090000 1.0080 0 26 DPE 1 DPPE H2S HAL2 0.090000 1.0080 0 27 DPE 1 DPPE C3 CTL2 -0.050000 12.0110 0 28 DPE 1 DPPE HX HAL2 0.090000 1.0080 0 29 DPE 1 DPPE HY HAL2 0.090000 1.0080 0 30 DPE 1 DPPE O31 OSL -0.340000 15.9994 0 31 DPE 1 DPPE C31 CL 0.630000 12.0110 0 32 DPE 1 DPPE O32 OBL -0.520000 15.9994 0 33 DPE 1 DPPE C32 CTL2 -0.080000 12.0110 0 34 DPE 1 DPPE H2X HAL2 0.090000 1.0080 0 35 DPE 1 DPPE H2Y HAL2 0.090000 1.0080 0 36 DPE 1 DPPE C23 CTL2 -0.180000 12.0110 0 37 DPE 1 DPPE H3R HAL2 0.090000 1.0080 0 38 DPE 1 DPPE H3S HAL2 0.090000 1.0080 0 39 DPE 1 DPPE C24 CTL2 -0.180000 12.0110 0 40 DPE 1 DPPE H4R HAL2 0.090000 1.0080 0 41 DPE 1 DPPE H4S HAL2 0.090000 1.0080 0 42 DPE 1 DPPE C25 CTL2 -0.180000 12.0110 0 43 DPE 1 DPPE H5R HAL2 0.090000 1.0080 0 44 DPE 1 DPPE H5S HAL2 0.090000 1.0080 0 45 DPE 1 DPPE C26 CTL2 -0.180000 12.0110 0 46 DPE 1 DPPE H6R HAL2 0.090000 1.0080 0 47 DPE 1 DPPE H6S HAL2 0.090000 1.0080 0 48 DPE 1 DPPE C27 CTL2 -0.180000 12.0110 0 49 DPE 1 DPPE H7R HAL2 0.090000 1.0080 0 50 DPE 1 DPPE H7S HAL2 0.090000 1.0080 0 51 DPE 1 DPPE C28 CTL2 -0.180000 12.0110 0 52 DPE 1 DPPE H8R HAL2 0.090000 1.0080 0 53 DPE 1 DPPE H8S HAL2 0.090000 1.0080 0 54 DPE 1 DPPE C29 CTL2 -0.180000 12.0110 0 55 DPE 1 DPPE H9R HAL2 0.090000 1.0080 0 56 DPE 1 DPPE H9S HAL2 0.090000 1.0080 0 57 DPE 1 DPPE C210 CTL2 -0.180000 12.0110 0 58 DPE 1 DPPE H10R HAL2 0.090000 1.0080 0 59 DPE 1 DPPE H10S HAL2 0.090000 1.0080 0 60 DPE 1 DPPE C211 CTL2 -0.180000 12.0110 0 61 DPE 1 DPPE H11R HAL2 0.090000 1.0080 0 62 DPE 1 DPPE H11S HAL2 0.090000 1.0080 0 63 DPE 1 DPPE C212 CTL2 -0.180000 12.0110 0 64 DPE 1 DPPE H12R HAL2 0.090000 1.0080 0 65 DPE 1 DPPE H12S HAL2 0.090000 1.0080 0 66 DPE 1 DPPE C213 CTL2 -0.180000 12.0110 0 67 DPE 1 DPPE H13R HAL2 0.090000 1.0080 0 68 DPE 1 DPPE H13S HAL2 0.090000 1.0080 0 69 DPE 1 DPPE C214 CTL2 -0.180000 12.0110 0 70 DPE 1 DPPE H14R HAL2 0.090000 1.0080 0 71 DPE 1 DPPE H14S HAL2 0.090000 1.0080 0 72 DPE 1 DPPE C215 CTL2 -0.180000 12.0110 0 73 DPE 1 DPPE H15R HAL2 0.090000 1.0080 0 74 DPE 1 DPPE H15S HAL2 0.090000 1.0080 0 75 DPE 1 DPPE C216 CTL3 -0.270000 12.0110 0 76 DPE 1 DPPE H16R HAL3 0.090000 1.0080 0 77 DPE 1 DPPE H16S HAL3 0.090000 1.0080 0 78 DPE 1 DPPE H16T HAL3 0.090000 1.0080 0 79 DPE 1 DPPE C33 CTL2 -0.180000 12.0110 0 80 DPE 1 DPPE H3X HAL2 0.090000 1.0080 0 81 DPE 1 DPPE H3Y HAL2 0.090000 1.0080 0 82 DPE 1 DPPE C34 CTL2 -0.180000 12.0110 0 83 DPE 1 DPPE H4X HAL2 0.090000 1.0080 0 84 DPE 1 DPPE H4Y HAL2 0.090000 1.0080 0 85 DPE 1 DPPE C35 CTL2 -0.180000 12.0110 0 86 DPE 1 DPPE H5X HAL2 0.090000 1.0080 0 87 DPE 1 DPPE H5Y HAL2 0.090000 1.0080 0 88 DPE 1 DPPE C36 CTL2 -0.180000 12.0110 0 89 DPE 1 DPPE H6X HAL2 0.090000 1.0080 0 90 DPE 1 DPPE H6Y HAL2 0.090000 1.0080 0 91 DPE 1 DPPE C37 CTL2 -0.180000 12.0110 0 92 DPE 1 DPPE H7X HAL2 0.090000 1.0080 0 93 DPE 1 DPPE H7Y HAL2 0.090000 1.0080 0 94 DPE 1 DPPE C38 CTL2 -0.180000 12.0110 0 95 DPE 1 DPPE H8X HAL2 0.090000 1.0080 0 96 DPE 1 DPPE H8Y HAL2 0.090000 1.0080 0 97 DPE 1 DPPE C39 CTL2 -0.180000 12.0110 0 98 DPE 1 DPPE H9X HAL2 0.090000 1.0080 0 99 DPE 1 DPPE H9Y HAL2 0.090000 1.0080 0 100 DPE 1 DPPE C310 CTL2 -0.180000 12.0110 0 101 DPE 1 DPPE H10X HAL2 0.090000 1.0080 0 102 DPE 1 DPPE H10Y HAL2 0.090000 1.0080 0 103 DPE 1 DPPE C311 CTL2 -0.180000 12.0110 0 104 DPE 1 DPPE H11X HAL2 0.090000 1.0080 0 105 DPE 1 DPPE H11Y HAL2 0.090000 1.0080 0 106 DPE 1 DPPE C312 CTL2 -0.180000 12.0110 0 107 DPE 1 DPPE H12X HAL2 0.090000 1.0080 0 108 DPE 1 DPPE H12Y HAL2 0.090000 1.0080 0 109 DPE 1 DPPE C313 CTL2 -0.180000 12.0110 0 110 DPE 1 DPPE H13X HAL2 0.090000 1.0080 0 111 DPE 1 DPPE H13Y HAL2 0.090000 1.0080 0 112 DPE 1 DPPE C314 CTL2 -0.180000 12.0110 0 113 DPE 1 DPPE H14X HAL2 0.090000 1.0080 0 114 DPE 1 DPPE H14Y HAL2 0.090000 1.0080 0 115 DPE 1 DPPE C315 CTL2 -0.180000 12.0110 0 116 DPE 1 DPPE H15X HAL2 0.090000 1.0080 0 117 DPE 1 DPPE H15Y HAL2 0.090000 1.0080 0 118 DPE 1 DPPE C316 CTL3 -0.270000 12.0110 0 119 DPE 1 DPPE H16X HAL3 0.090000 1.0080 0 120 DPE 1 DPPE H16Y HAL3 0.090000 1.0080 0 121 DPE 1 DPPE H16Z HAL3 0.090000 1.0080 0 122 DPE 2 DPPE N NH3L -0.300000 14.0070 0 123 DPE 2 DPPE HN1 HCL 0.330000 1.0080 0 124 DPE 2 DPPE HN2 HCL 0.330000 1.0080 0 125 DPE 2 DPPE HN3 HCL 0.330000 1.0080 0 126 DPE 2 DPPE C12 CTL2 0.130000 12.0110 0 127 DPE 2 DPPE H12A HAL2 0.090000 1.0080 0 128 DPE 2 DPPE H12B HAL2 0.090000 1.0080 0 129 DPE 2 DPPE C11 CTL2 -0.080000 12.0110 0 130 DPE 2 DPPE H11A HAL2 0.090000 1.0080 0 131 DPE 2 DPPE H11B HAL2 0.090000 1.0080 0 132 DPE 2 DPPE P PL 1.500000 30.9740 0 133 DPE 2 DPPE O13 O2L -0.780000 15.9994 0 134 DPE 2 DPPE O14 O2L -0.780000 15.9994 0 135 DPE 2 DPPE O11 OSL -0.570000 15.9994 0 136 DPE 2 DPPE O12 OSL -0.570000 15.9994 0 137 DPE 2 DPPE C1 CTL2 -0.080000 12.0110 0 138 DPE 2 DPPE HA HAL2 0.090000 1.0080 0 139 DPE 2 DPPE HB HAL2 0.090000 1.0080 0 140 DPE 2 DPPE C2 CTL1 0.040000 12.0110 0 141 DPE 2 DPPE HS HAL1 0.090000 1.0080 0 142 DPE 2 DPPE O21 OSL -0.340000 15.9994 0 143 DPE 2 DPPE C21 CL 0.630000 12.0110 0 144 DPE 2 DPPE O22 OBL -0.520000 15.9994 0 145 DPE 2 DPPE C22 CTL2 -0.080000 12.0110 0 146 DPE 2 DPPE H2R HAL2 0.090000 1.0080 0 147 DPE 2 DPPE H2S HAL2 0.090000 1.0080 0 148 DPE 2 DPPE C3 CTL2 -0.050000 12.0110 0 149 DPE 2 DPPE HX HAL2 0.090000 1.0080 0 150 DPE 2 DPPE HY HAL2 0.090000 1.0080 0 151 DPE 2 DPPE O31 OSL -0.340000 15.9994 0 152 DPE 2 DPPE C31 CL 0.630000 12.0110 0 153 DPE 2 DPPE O32 OBL -0.520000 15.9994 0 154 DPE 2 DPPE C32 CTL2 -0.080000 12.0110 0 155 DPE 2 DPPE H2X HAL2 0.090000 1.0080 0 156 DPE 2 DPPE H2Y HAL2 0.090000 1.0080 0 157 DPE 2 DPPE C23 CTL2 -0.180000 12.0110 0 158 DPE 2 DPPE H3R HAL2 0.090000 1.0080 0 159 DPE 2 DPPE H3S HAL2 0.090000 1.0080 0 160 DPE 2 DPPE C24 CTL2 -0.180000 12.0110 0 161 DPE 2 DPPE H4R HAL2 0.090000 1.0080 0 162 DPE 2 DPPE H4S HAL2 0.090000 1.0080 0 163 DPE 2 DPPE C25 CTL2 -0.180000 12.0110 0 164 DPE 2 DPPE H5R HAL2 0.090000 1.0080 0 165 DPE 2 DPPE H5S HAL2 0.090000 1.0080 0 166 DPE 2 DPPE C26 CTL2 -0.180000 12.0110 0 167 DPE 2 DPPE H6R HAL2 0.090000 1.0080 0 168 DPE 2 DPPE H6S HAL2 0.090000 1.0080 0 169 DPE 2 DPPE C27 CTL2 -0.180000 12.0110 0 170 DPE 2 DPPE H7R HAL2 0.090000 1.0080 0 171 DPE 2 DPPE H7S HAL2 0.090000 1.0080 0 172 DPE 2 DPPE C28 CTL2 -0.180000 12.0110 0 173 DPE 2 DPPE H8R HAL2 0.090000 1.0080 0 174 DPE 2 DPPE H8S HAL2 0.090000 1.0080 0 175 DPE 2 DPPE C29 CTL2 -0.180000 12.0110 0 176 DPE 2 DPPE H9R HAL2 0.090000 1.0080 0 177 DPE 2 DPPE H9S HAL2 0.090000 1.0080 0 178 DPE 2 DPPE C210 CTL2 -0.180000 12.0110 0 179 DPE 2 DPPE H10R HAL2 0.090000 1.0080 0 180 DPE 2 DPPE H10S HAL2 0.090000 1.0080 0 181 DPE 2 DPPE C211 CTL2 -0.180000 12.0110 0 182 DPE 2 DPPE H11R HAL2 0.090000 1.0080 0 183 DPE 2 DPPE H11S HAL2 0.090000 1.0080 0 184 DPE 2 DPPE C212 CTL2 -0.180000 12.0110 0 185 DPE 2 DPPE H12R HAL2 0.090000 1.0080 0 186 DPE 2 DPPE H12S HAL2 0.090000 1.0080 0 187 DPE 2 DPPE C213 CTL2 -0.180000 12.0110 0 188 DPE 2 DPPE H13R HAL2 0.090000 1.0080 0 189 DPE 2 DPPE H13S HAL2 0.090000 1.0080 0 190 DPE 2 DPPE C214 CTL2 -0.180000 12.0110 0 191 DPE 2 DPPE H14R HAL2 0.090000 1.0080 0 192 DPE 2 DPPE H14S HAL2 0.090000 1.0080 0 193 DPE 2 DPPE C215 CTL2 -0.180000 12.0110 0 194 DPE 2 DPPE H15R HAL2 0.090000 1.0080 0 195 DPE 2 DPPE H15S HAL2 0.090000 1.0080 0 196 DPE 2 DPPE C216 CTL3 -0.270000 12.0110 0 197 DPE 2 DPPE H16R HAL3 0.090000 1.0080 0 198 DPE 2 DPPE H16S HAL3 0.090000 1.0080 0 199 DPE 2 DPPE H16T HAL3 0.090000 1.0080 0 200 DPE 2 DPPE C33 CTL2 -0.180000 12.0110 0 201 DPE 2 DPPE H3X HAL2 0.090000 1.0080 0 202 DPE 2 DPPE H3Y HAL2 0.090000 1.0080 0 203 DPE 2 DPPE C34 CTL2 -0.180000 12.0110 0 204 DPE 2 DPPE H4X HAL2 0.090000 1.0080 0 205 DPE 2 DPPE H4Y HAL2 0.090000 1.0080 0 206 DPE 2 DPPE C35 CTL2 -0.180000 12.0110 0 207 DPE 2 DPPE H5X HAL2 0.090000 1.0080 0 208 DPE 2 DPPE H5Y HAL2 0.090000 1.0080 0 209 DPE 2 DPPE C36 CTL2 -0.180000 12.0110 0 210 DPE 2 DPPE H6X HAL2 0.090000 1.0080 0 211 DPE 2 DPPE H6Y HAL2 0.090000 1.0080 0 212 DPE 2 DPPE C37 CTL2 -0.180000 12.0110 0 213 DPE 2 DPPE H7X HAL2 0.090000 1.0080 0 214 DPE 2 DPPE H7Y HAL2 0.090000 1.0080 0 215 DPE 2 DPPE C38 CTL2 -0.180000 12.0110 0 216 DPE 2 DPPE H8X HAL2 0.090000 1.0080 0 217 DPE 2 DPPE H8Y HAL2 0.090000 1.0080 0 218 DPE 2 DPPE C39 CTL2 -0.180000 12.0110 0 219 DPE 2 DPPE H9X HAL2 0.090000 1.0080 0 220 DPE 2 DPPE H9Y HAL2 0.090000 1.0080 0 221 DPE 2 DPPE C310 CTL2 -0.180000 12.0110 0 222 DPE 2 DPPE H10X HAL2 0.090000 1.0080 0 223 DPE 2 DPPE H10Y HAL2 0.090000 1.0080 0 224 DPE 2 DPPE C311 CTL2 -0.180000 12.0110 0 225 DPE 2 DPPE H11X HAL2 0.090000 1.0080 0 226 DPE 2 DPPE H11Y HAL2 0.090000 1.0080 0 227 DPE 2 DPPE C312 CTL2 -0.180000 12.0110 0 228 DPE 2 DPPE H12X HAL2 0.090000 1.0080 0 229 DPE 2 DPPE H12Y HAL2 0.090000 1.0080 0 230 DPE 2 DPPE C313 CTL2 -0.180000 12.0110 0 231 DPE 2 DPPE H13X HAL2 0.090000 1.0080 0 232 DPE 2 DPPE H13Y HAL2 0.090000 1.0080 0 233 DPE 2 DPPE C314 CTL2 -0.180000 12.0110 0 234 DPE 2 DPPE H14X HAL2 0.090000 1.0080 0 235 DPE 2 DPPE H14Y HAL2 0.090000 1.0080 0 236 DPE 2 DPPE C315 CTL2 -0.180000 12.0110 0 237 DPE 2 DPPE H15X HAL2 0.090000 1.0080 0 238 DPE 2 DPPE H15Y HAL2 0.090000 1.0080 0 239 DPE 2 DPPE C316 CTL3 -0.270000 12.0110 0 240 DPE 2 DPPE H16X HAL3 0.090000 1.0080 0 241 DPE 2 DPPE H16Y HAL3 0.090000 1.0080 0 242 DPE 2 DPPE H16Z HAL3 0.090000 1.0080 0 243 DPE 3 DPPE N NH3L -0.300000 14.0070 0 244 DPE 3 DPPE HN1 HCL 0.330000 1.0080 0 245 DPE 3 DPPE HN2 HCL 0.330000 1.0080 0 246 DPE 3 DPPE HN3 HCL 0.330000 1.0080 0 247 DPE 3 DPPE C12 CTL2 0.130000 12.0110 0 248 DPE 3 DPPE H12A HAL2 0.090000 1.0080 0 249 DPE 3 DPPE H12B HAL2 0.090000 1.0080 0 250 DPE 3 DPPE C11 CTL2 -0.080000 12.0110 0 251 DPE 3 DPPE H11A HAL2 0.090000 1.0080 0 252 DPE 3 DPPE H11B HAL2 0.090000 1.0080 0 253 DPE 3 DPPE P PL 1.500000 30.9740 0 254 DPE 3 DPPE O13 O2L -0.780000 15.9994 0 255 DPE 3 DPPE O14 O2L -0.780000 15.9994 0 256 DPE 3 DPPE O11 OSL -0.570000 15.9994 0 257 DPE 3 DPPE O12 OSL -0.570000 15.9994 0 258 DPE 3 DPPE C1 CTL2 -0.080000 12.0110 0 259 DPE 3 DPPE HA HAL2 0.090000 1.0080 0 260 DPE 3 DPPE HB HAL2 0.090000 1.0080 0 261 DPE 3 DPPE C2 CTL1 0.040000 12.0110 0 262 DPE 3 DPPE HS HAL1 0.090000 1.0080 0 263 DPE 3 DPPE O21 OSL -0.340000 15.9994 0 264 DPE 3 DPPE C21 CL 0.630000 12.0110 0 265 DPE 3 DPPE O22 OBL -0.520000 15.9994 0 266 DPE 3 DPPE C22 CTL2 -0.080000 12.0110 0 267 DPE 3 DPPE H2R HAL2 0.090000 1.0080 0 268 DPE 3 DPPE H2S HAL2 0.090000 1.0080 0 269 DPE 3 DPPE C3 CTL2 -0.050000 12.0110 0 270 DPE 3 DPPE HX HAL2 0.090000 1.0080 0 271 DPE 3 DPPE HY HAL2 0.090000 1.0080 0 272 DPE 3 DPPE O31 OSL -0.340000 15.9994 0 273 DPE 3 DPPE C31 CL 0.630000 12.0110 0 274 DPE 3 DPPE O32 OBL -0.520000 15.9994 0 275 DPE 3 DPPE C32 CTL2 -0.080000 12.0110 0 276 DPE 3 DPPE H2X HAL2 0.090000 1.0080 0 277 DPE 3 DPPE H2Y HAL2 0.090000 1.0080 0 278 DPE 3 DPPE C23 CTL2 -0.180000 12.0110 0 279 DPE 3 DPPE H3R HAL2 0.090000 1.0080 0 280 DPE 3 DPPE H3S HAL2 0.090000 1.0080 0 281 DPE 3 DPPE C24 CTL2 -0.180000 12.0110 0 282 DPE 3 DPPE H4R HAL2 0.090000 1.0080 0 283 DPE 3 DPPE H4S HAL2 0.090000 1.0080 0 284 DPE 3 DPPE C25 CTL2 -0.180000 12.0110 0 285 DPE 3 DPPE H5R HAL2 0.090000 1.0080 0 286 DPE 3 DPPE H5S HAL2 0.090000 1.0080 0 287 DPE 3 DPPE C26 CTL2 -0.180000 12.0110 0 288 DPE 3 DPPE H6R HAL2 0.090000 1.0080 0 289 DPE 3 DPPE H6S HAL2 0.090000 1.0080 0 290 DPE 3 DPPE C27 CTL2 -0.180000 12.0110 0 291 DPE 3 DPPE H7R HAL2 0.090000 1.0080 0 292 DPE 3 DPPE H7S HAL2 0.090000 1.0080 0 293 DPE 3 DPPE C28 CTL2 -0.180000 12.0110 0 294 DPE 3 DPPE H8R HAL2 0.090000 1.0080 0 295 DPE 3 DPPE H8S HAL2 0.090000 1.0080 0 296 DPE 3 DPPE C29 CTL2 -0.180000 12.0110 0 297 DPE 3 DPPE H9R HAL2 0.090000 1.0080 0 298 DPE 3 DPPE H9S HAL2 0.090000 1.0080 0 299 DPE 3 DPPE C210 CTL2 -0.180000 12.0110 0 300 DPE 3 DPPE H10R HAL2 0.090000 1.0080 0 301 DPE 3 DPPE H10S HAL2 0.090000 1.0080 0 302 DPE 3 DPPE C211 CTL2 -0.180000 12.0110 0 303 DPE 3 DPPE H11R HAL2 0.090000 1.0080 0 304 DPE 3 DPPE H11S HAL2 0.090000 1.0080 0 305 DPE 3 DPPE C212 CTL2 -0.180000 12.0110 0 306 DPE 3 DPPE H12R HAL2 0.090000 1.0080 0 307 DPE 3 DPPE H12S HAL2 0.090000 1.0080 0 308 DPE 3 DPPE C213 CTL2 -0.180000 12.0110 0 309 DPE 3 DPPE H13R HAL2 0.090000 1.0080 0 310 DPE 3 DPPE H13S HAL2 0.090000 1.0080 0 311 DPE 3 DPPE C214 CTL2 -0.180000 12.0110 0 312 DPE 3 DPPE H14R HAL2 0.090000 1.0080 0 313 DPE 3 DPPE H14S HAL2 0.090000 1.0080 0 314 DPE 3 DPPE C215 CTL2 -0.180000 12.0110 0 315 DPE 3 DPPE H15R HAL2 0.090000 1.0080 0 316 DPE 3 DPPE H15S HAL2 0.090000 1.0080 0 317 DPE 3 DPPE C216 CTL3 -0.270000 12.0110 0 318 DPE 3 DPPE H16R HAL3 0.090000 1.0080 0 319 DPE 3 DPPE H16S HAL3 0.090000 1.0080 0 320 DPE 3 DPPE H16T HAL3 0.090000 1.0080 0 321 DPE 3 DPPE C33 CTL2 -0.180000 12.0110 0 322 DPE 3 DPPE H3X HAL2 0.090000 1.0080 0 323 DPE 3 DPPE H3Y HAL2 0.090000 1.0080 0 324 DPE 3 DPPE C34 CTL2 -0.180000 12.0110 0 325 DPE 3 DPPE H4X HAL2 0.090000 1.0080 0 326 DPE 3 DPPE H4Y HAL2 0.090000 1.0080 0 327 DPE 3 DPPE C35 CTL2 -0.180000 12.0110 0 328 DPE 3 DPPE H5X HAL2 0.090000 1.0080 0 329 DPE 3 DPPE H5Y HAL2 0.090000 1.0080 0 330 DPE 3 DPPE C36 CTL2 -0.180000 12.0110 0 331 DPE 3 DPPE H6X HAL2 0.090000 1.0080 0 332 DPE 3 DPPE H6Y HAL2 0.090000 1.0080 0 333 DPE 3 DPPE C37 CTL2 -0.180000 12.0110 0 334 DPE 3 DPPE H7X HAL2 0.090000 1.0080 0 335 DPE 3 DPPE H7Y HAL2 0.090000 1.0080 0 336 DPE 3 DPPE C38 CTL2 -0.180000 12.0110 0 337 DPE 3 DPPE H8X HAL2 0.090000 1.0080 0 338 DPE 3 DPPE H8Y HAL2 0.090000 1.0080 0 339 DPE 3 DPPE C39 CTL2 -0.180000 12.0110 0 340 DPE 3 DPPE H9X HAL2 0.090000 1.0080 0 341 DPE 3 DPPE H9Y HAL2 0.090000 1.0080 0 342 DPE 3 DPPE C310 CTL2 -0.180000 12.0110 0 343 DPE 3 DPPE H10X HAL2 0.090000 1.0080 0 344 DPE 3 DPPE H10Y HAL2 0.090000 1.0080 0 345 DPE 3 DPPE C311 CTL2 -0.180000 12.0110 0 346 DPE 3 DPPE H11X HAL2 0.090000 1.0080 0 347 DPE 3 DPPE H11Y HAL2 0.090000 1.0080 0 348 DPE 3 DPPE C312 CTL2 -0.180000 12.0110 0 349 DPE 3 DPPE H12X HAL2 0.090000 1.0080 0 350 DPE 3 DPPE H12Y HAL2 0.090000 1.0080 0 351 DPE 3 DPPE C313 CTL2 -0.180000 12.0110 0 352 DPE 3 DPPE H13X HAL2 0.090000 1.0080 0 353 DPE 3 DPPE H13Y HAL2 0.090000 1.0080 0 354 DPE 3 DPPE C314 CTL2 -0.180000 12.0110 0 355 DPE 3 DPPE H14X HAL2 0.090000 1.0080 0 356 DPE 3 DPPE H14Y HAL2 0.090000 1.0080 0 357 DPE 3 DPPE C315 CTL2 -0.180000 12.0110 0 358 DPE 3 DPPE H15X HAL2 0.090000 1.0080 0 359 DPE 3 DPPE H15Y HAL2 0.090000 1.0080 0 360 DPE 3 DPPE C316 CTL3 -0.270000 12.0110 0 361 DPE 3 DPPE H16X HAL3 0.090000 1.0080 0 362 DPE 3 DPPE H16Y HAL3 0.090000 1.0080 0 363 DPE 3 DPPE H16Z HAL3 0.090000 1.0080 0 364 DPE 4 DPPE N NH3L -0.300000 14.0070 0 365 DPE 4 DPPE HN1 HCL 0.330000 1.0080 0 366 DPE 4 DPPE HN2 HCL 0.330000 1.0080 0 367 DPE 4 DPPE HN3 HCL 0.330000 1.0080 0 368 DPE 4 DPPE C12 CTL2 0.130000 12.0110 0 369 DPE 4 DPPE H12A HAL2 0.090000 1.0080 0 370 DPE 4 DPPE H12B HAL2 0.090000 1.0080 0 371 DPE 4 DPPE C11 CTL2 -0.080000 12.0110 0 372 DPE 4 DPPE H11A HAL2 0.090000 1.0080 0 373 DPE 4 DPPE H11B HAL2 0.090000 1.0080 0 374 DPE 4 DPPE P PL 1.500000 30.9740 0 375 DPE 4 DPPE O13 O2L -0.780000 15.9994 0 376 DPE 4 DPPE O14 O2L -0.780000 15.9994 0 377 DPE 4 DPPE O11 OSL -0.570000 15.9994 0 378 DPE 4 DPPE O12 OSL -0.570000 15.9994 0 379 DPE 4 DPPE C1 CTL2 -0.080000 12.0110 0 380 DPE 4 DPPE HA HAL2 0.090000 1.0080 0 381 DPE 4 DPPE HB HAL2 0.090000 1.0080 0 382 DPE 4 DPPE C2 CTL1 0.040000 12.0110 0 383 DPE 4 DPPE HS HAL1 0.090000 1.0080 0 384 DPE 4 DPPE O21 OSL -0.340000 15.9994 0 385 DPE 4 DPPE C21 CL 0.630000 12.0110 0 386 DPE 4 DPPE O22 OBL -0.520000 15.9994 0 387 DPE 4 DPPE C22 CTL2 -0.080000 12.0110 0 388 DPE 4 DPPE H2R HAL2 0.090000 1.0080 0 389 DPE 4 DPPE H2S HAL2 0.090000 1.0080 0 390 DPE 4 DPPE C3 CTL2 -0.050000 12.0110 0 391 DPE 4 DPPE HX HAL2 0.090000 1.0080 0 392 DPE 4 DPPE HY HAL2 0.090000 1.0080 0 393 DPE 4 DPPE O31 OSL -0.340000 15.9994 0 394 DPE 4 DPPE C31 CL 0.630000 12.0110 0 395 DPE 4 DPPE O32 OBL -0.520000 15.9994 0 396 DPE 4 DPPE C32 CTL2 -0.080000 12.0110 0 397 DPE 4 DPPE H2X HAL2 0.090000 1.0080 0 398 DPE 4 DPPE H2Y HAL2 0.090000 1.0080 0 399 DPE 4 DPPE C23 CTL2 -0.180000 12.0110 0 400 DPE 4 DPPE H3R HAL2 0.090000 1.0080 0 401 DPE 4 DPPE H3S HAL2 0.090000 1.0080 0 402 DPE 4 DPPE C24 CTL2 -0.180000 12.0110 0 403 DPE 4 DPPE H4R HAL2 0.090000 1.0080 0 404 DPE 4 DPPE H4S HAL2 0.090000 1.0080 0 405 DPE 4 DPPE C25 CTL2 -0.180000 12.0110 0 406 DPE 4 DPPE H5R HAL2 0.090000 1.0080 0 407 DPE 4 DPPE H5S HAL2 0.090000 1.0080 0 408 DPE 4 DPPE C26 CTL2 -0.180000 12.0110 0 409 DPE 4 DPPE H6R HAL2 0.090000 1.0080 0 410 DPE 4 DPPE H6S HAL2 0.090000 1.0080 0 411 DPE 4 DPPE C27 CTL2 -0.180000 12.0110 0 412 DPE 4 DPPE H7R HAL2 0.090000 1.0080 0 413 DPE 4 DPPE H7S HAL2 0.090000 1.0080 0 414 DPE 4 DPPE C28 CTL2 -0.180000 12.0110 0 415 DPE 4 DPPE H8R HAL2 0.090000 1.0080 0 416 DPE 4 DPPE H8S HAL2 0.090000 1.0080 0 417 DPE 4 DPPE C29 CTL2 -0.180000 12.0110 0 418 DPE 4 DPPE H9R HAL2 0.090000 1.0080 0 419 DPE 4 DPPE H9S HAL2 0.090000 1.0080 0 420 DPE 4 DPPE C210 CTL2 -0.180000 12.0110 0 421 DPE 4 DPPE H10R HAL2 0.090000 1.0080 0 422 DPE 4 DPPE H10S HAL2 0.090000 1.0080 0 423 DPE 4 DPPE C211 CTL2 -0.180000 12.0110 0 424 DPE 4 DPPE H11R HAL2 0.090000 1.0080 0 425 DPE 4 DPPE H11S HAL2 0.090000 1.0080 0 426 DPE 4 DPPE C212 CTL2 -0.180000 12.0110 0 427 DPE 4 DPPE H12R HAL2 0.090000 1.0080 0 428 DPE 4 DPPE H12S HAL2 0.090000 1.0080 0 429 DPE 4 DPPE C213 CTL2 -0.180000 12.0110 0 430 DPE 4 DPPE H13R HAL2 0.090000 1.0080 0 431 DPE 4 DPPE H13S HAL2 0.090000 1.0080 0 432 DPE 4 DPPE C214 CTL2 -0.180000 12.0110 0 433 DPE 4 DPPE H14R HAL2 0.090000 1.0080 0 434 DPE 4 DPPE H14S HAL2 0.090000 1.0080 0 435 DPE 4 DPPE C215 CTL2 -0.180000 12.0110 0 436 DPE 4 DPPE H15R HAL2 0.090000 1.0080 0 437 DPE 4 DPPE H15S HAL2 0.090000 1.0080 0 438 DPE 4 DPPE C216 CTL3 -0.270000 12.0110 0 439 DPE 4 DPPE H16R HAL3 0.090000 1.0080 0 440 DPE 4 DPPE H16S HAL3 0.090000 1.0080 0 441 DPE 4 DPPE H16T HAL3 0.090000 1.0080 0 442 DPE 4 DPPE C33 CTL2 -0.180000 12.0110 0 443 DPE 4 DPPE H3X HAL2 0.090000 1.0080 0 444 DPE 4 DPPE H3Y HAL2 0.090000 1.0080 0 445 DPE 4 DPPE C34 CTL2 -0.180000 12.0110 0 446 DPE 4 DPPE H4X HAL2 0.090000 1.0080 0 447 DPE 4 DPPE H4Y HAL2 0.090000 1.0080 0 448 DPE 4 DPPE C35 CTL2 -0.180000 12.0110 0 449 DPE 4 DPPE H5X HAL2 0.090000 1.0080 0 450 DPE 4 DPPE H5Y HAL2 0.090000 1.0080 0 451 DPE 4 DPPE C36 CTL2 -0.180000 12.0110 0 452 DPE 4 DPPE H6X HAL2 0.090000 1.0080 0 453 DPE 4 DPPE H6Y HAL2 0.090000 1.0080 0 454 DPE 4 DPPE C37 CTL2 -0.180000 12.0110 0 455 DPE 4 DPPE H7X HAL2 0.090000 1.0080 0 456 DPE 4 DPPE H7Y HAL2 0.090000 1.0080 0 457 DPE 4 DPPE C38 CTL2 -0.180000 12.0110 0 458 DPE 4 DPPE H8X HAL2 0.090000 1.0080 0 459 DPE 4 DPPE H8Y HAL2 0.090000 1.0080 0 460 DPE 4 DPPE C39 CTL2 -0.180000 12.0110 0 461 DPE 4 DPPE H9X HAL2 0.090000 1.0080 0 462 DPE 4 DPPE H9Y HAL2 0.090000 1.0080 0 463 DPE 4 DPPE C310 CTL2 -0.180000 12.0110 0 464 DPE 4 DPPE H10X HAL2 0.090000 1.0080 0 465 DPE 4 DPPE H10Y HAL2 0.090000 1.0080 0 466 DPE 4 DPPE C311 CTL2 -0.180000 12.0110 0 467 DPE 4 DPPE H11X HAL2 0.090000 1.0080 0 468 DPE 4 DPPE H11Y HAL2 0.090000 1.0080 0 469 DPE 4 DPPE C312 CTL2 -0.180000 12.0110 0 470 DPE 4 DPPE H12X HAL2 0.090000 1.0080 0 471 DPE 4 DPPE H12Y HAL2 0.090000 1.0080 0 472 DPE 4 DPPE C313 CTL2 -0.180000 12.0110 0 473 DPE 4 DPPE H13X HAL2 0.090000 1.0080 0 474 DPE 4 DPPE H13Y HAL2 0.090000 1.0080 0 475 DPE 4 DPPE C314 CTL2 -0.180000 12.0110 0 476 DPE 4 DPPE H14X HAL2 0.090000 1.0080 0 477 DPE 4 DPPE H14Y HAL2 0.090000 1.0080 0 478 DPE 4 DPPE C315 CTL2 -0.180000 12.0110 0 479 DPE 4 DPPE H15X HAL2 0.090000 1.0080 0 480 DPE 4 DPPE H15Y HAL2 0.090000 1.0080 0 481 DPE 4 DPPE C316 CTL3 -0.270000 12.0110 0 482 DPE 4 DPPE H16X HAL3 0.090000 1.0080 0 483 DPE 4 DPPE H16Y HAL3 0.090000 1.0080 0 484 DPE 4 DPPE H16Z HAL3 0.090000 1.0080 0 485 DPE 5 DPPE N NH3L -0.300000 14.0070 0 486 DPE 5 DPPE HN1 HCL 0.330000 1.0080 0 487 DPE 5 DPPE HN2 HCL 0.330000 1.0080 0 488 DPE 5 DPPE HN3 HCL 0.330000 1.0080 0 489 DPE 5 DPPE C12 CTL2 0.130000 12.0110 0 490 DPE 5 DPPE H12A HAL2 0.090000 1.0080 0 491 DPE 5 DPPE H12B HAL2 0.090000 1.0080 0 492 DPE 5 DPPE C11 CTL2 -0.080000 12.0110 0 493 DPE 5 DPPE H11A HAL2 0.090000 1.0080 0 494 DPE 5 DPPE H11B HAL2 0.090000 1.0080 0 495 DPE 5 DPPE P PL 1.500000 30.9740 0 496 DPE 5 DPPE O13 O2L -0.780000 15.9994 0 497 DPE 5 DPPE O14 O2L -0.780000 15.9994 0 498 DPE 5 DPPE O11 OSL -0.570000 15.9994 0 499 DPE 5 DPPE O12 OSL -0.570000 15.9994 0 500 DPE 5 DPPE C1 CTL2 -0.080000 12.0110 0 501 DPE 5 DPPE HA HAL2 0.090000 1.0080 0 502 DPE 5 DPPE HB HAL2 0.090000 1.0080 0 503 DPE 5 DPPE C2 CTL1 0.040000 12.0110 0 504 DPE 5 DPPE HS HAL1 0.090000 1.0080 0 505 DPE 5 DPPE O21 OSL -0.340000 15.9994 0 506 DPE 5 DPPE C21 CL 0.630000 12.0110 0 507 DPE 5 DPPE O22 OBL -0.520000 15.9994 0 508 DPE 5 DPPE C22 CTL2 -0.080000 12.0110 0 509 DPE 5 DPPE H2R HAL2 0.090000 1.0080 0 510 DPE 5 DPPE H2S HAL2 0.090000 1.0080 0 511 DPE 5 DPPE C3 CTL2 -0.050000 12.0110 0 512 DPE 5 DPPE HX HAL2 0.090000 1.0080 0 513 DPE 5 DPPE HY HAL2 0.090000 1.0080 0 514 DPE 5 DPPE O31 OSL -0.340000 15.9994 0 515 DPE 5 DPPE C31 CL 0.630000 12.0110 0 516 DPE 5 DPPE O32 OBL -0.520000 15.9994 0 517 DPE 5 DPPE C32 CTL2 -0.080000 12.0110 0 518 DPE 5 DPPE H2X HAL2 0.090000 1.0080 0 519 DPE 5 DPPE H2Y HAL2 0.090000 1.0080 0 520 DPE 5 DPPE C23 CTL2 -0.180000 12.0110 0 521 DPE 5 DPPE H3R HAL2 0.090000 1.0080 0 522 DPE 5 DPPE H3S HAL2 0.090000 1.0080 0 523 DPE 5 DPPE C24 CTL2 -0.180000 12.0110 0 524 DPE 5 DPPE H4R HAL2 0.090000 1.0080 0 525 DPE 5 DPPE H4S HAL2 0.090000 1.0080 0 526 DPE 5 DPPE C25 CTL2 -0.180000 12.0110 0 527 DPE 5 DPPE H5R HAL2 0.090000 1.0080 0 528 DPE 5 DPPE H5S HAL2 0.090000 1.0080 0 529 DPE 5 DPPE C26 CTL2 -0.180000 12.0110 0 530 DPE 5 DPPE H6R HAL2 0.090000 1.0080 0 531 DPE 5 DPPE H6S HAL2 0.090000 1.0080 0 532 DPE 5 DPPE C27 CTL2 -0.180000 12.0110 0 533 DPE 5 DPPE H7R HAL2 0.090000 1.0080 0 534 DPE 5 DPPE H7S HAL2 0.090000 1.0080 0 535 DPE 5 DPPE C28 CTL2 -0.180000 12.0110 0 536 DPE 5 DPPE H8R HAL2 0.090000 1.0080 0 537 DPE 5 DPPE H8S HAL2 0.090000 1.0080 0 538 DPE 5 DPPE C29 CTL2 -0.180000 12.0110 0 539 DPE 5 DPPE H9R HAL2 0.090000 1.0080 0 540 DPE 5 DPPE H9S HAL2 0.090000 1.0080 0 541 DPE 5 DPPE C210 CTL2 -0.180000 12.0110 0 542 DPE 5 DPPE H10R HAL2 0.090000 1.0080 0 543 DPE 5 DPPE H10S HAL2 0.090000 1.0080 0 544 DPE 5 DPPE C211 CTL2 -0.180000 12.0110 0 545 DPE 5 DPPE H11R HAL2 0.090000 1.0080 0 546 DPE 5 DPPE H11S HAL2 0.090000 1.0080 0 547 DPE 5 DPPE C212 CTL2 -0.180000 12.0110 0 548 DPE 5 DPPE H12R HAL2 0.090000 1.0080 0 549 DPE 5 DPPE H12S HAL2 0.090000 1.0080 0 550 DPE 5 DPPE C213 CTL2 -0.180000 12.0110 0 551 DPE 5 DPPE H13R HAL2 0.090000 1.0080 0 552 DPE 5 DPPE H13S HAL2 0.090000 1.0080 0 553 DPE 5 DPPE C214 CTL2 -0.180000 12.0110 0 554 DPE 5 DPPE H14R HAL2 0.090000 1.0080 0 555 DPE 5 DPPE H14S HAL2 0.090000 1.0080 0 556 DPE 5 DPPE C215 CTL2 -0.180000 12.0110 0 557 DPE 5 DPPE H15R HAL2 0.090000 1.0080 0 558 DPE 5 DPPE H15S HAL2 0.090000 1.0080 0 559 DPE 5 DPPE C216 CTL3 -0.270000 12.0110 0 560 DPE 5 DPPE H16R HAL3 0.090000 1.0080 0 561 DPE 5 DPPE H16S HAL3 0.090000 1.0080 0 562 DPE 5 DPPE H16T HAL3 0.090000 1.0080 0 563 DPE 5 DPPE C33 CTL2 -0.180000 12.0110 0 564 DPE 5 DPPE H3X HAL2 0.090000 1.0080 0 565 DPE 5 DPPE H3Y HAL2 0.090000 1.0080 0 566 DPE 5 DPPE C34 CTL2 -0.180000 12.0110 0 567 DPE 5 DPPE H4X HAL2 0.090000 1.0080 0 568 DPE 5 DPPE H4Y HAL2 0.090000 1.0080 0 569 DPE 5 DPPE C35 CTL2 -0.180000 12.0110 0 570 DPE 5 DPPE H5X HAL2 0.090000 1.0080 0 571 DPE 5 DPPE H5Y HAL2 0.090000 1.0080 0 572 DPE 5 DPPE C36 CTL2 -0.180000 12.0110 0 573 DPE 5 DPPE H6X HAL2 0.090000 1.0080 0 574 DPE 5 DPPE H6Y HAL2 0.090000 1.0080 0 575 DPE 5 DPPE C37 CTL2 -0.180000 12.0110 0 576 DPE 5 DPPE H7X HAL2 0.090000 1.0080 0 577 DPE 5 DPPE H7Y HAL2 0.090000 1.0080 0 578 DPE 5 DPPE C38 CTL2 -0.180000 12.0110 0 579 DPE 5 DPPE H8X HAL2 0.090000 1.0080 0 580 DPE 5 DPPE H8Y HAL2 0.090000 1.0080 0 581 DPE 5 DPPE C39 CTL2 -0.180000 12.0110 0 582 DPE 5 DPPE H9X HAL2 0.090000 1.0080 0 583 DPE 5 DPPE H9Y HAL2 0.090000 1.0080 0 584 DPE 5 DPPE C310 CTL2 -0.180000 12.0110 0 585 DPE 5 DPPE H10X HAL2 0.090000 1.0080 0 586 DPE 5 DPPE H10Y HAL2 0.090000 1.0080 0 587 DPE 5 DPPE C311 CTL2 -0.180000 12.0110 0 588 DPE 5 DPPE H11X HAL2 0.090000 1.0080 0 589 DPE 5 DPPE H11Y HAL2 0.090000 1.0080 0 590 DPE 5 DPPE C312 CTL2 -0.180000 12.0110 0 591 DPE 5 DPPE H12X HAL2 0.090000 1.0080 0 592 DPE 5 DPPE H12Y HAL2 0.090000 1.0080 0 593 DPE 5 DPPE C313 CTL2 -0.180000 12.0110 0 594 DPE 5 DPPE H13X HAL2 0.090000 1.0080 0 595 DPE 5 DPPE H13Y HAL2 0.090000 1.0080 0 596 DPE 5 DPPE C314 CTL2 -0.180000 12.0110 0 597 DPE 5 DPPE H14X HAL2 0.090000 1.0080 0 598 DPE 5 DPPE H14Y HAL2 0.090000 1.0080 0 599 DPE 5 DPPE C315 CTL2 -0.180000 12.0110 0 600 DPE 5 DPPE H15X HAL2 0.090000 1.0080 0 601 DPE 5 DPPE H15Y HAL2 0.090000 1.0080 0 602 DPE 5 DPPE C316 CTL3 -0.270000 12.0110 0 603 DPE 5 DPPE H16X HAL3 0.090000 1.0080 0 604 DPE 5 DPPE H16Y HAL3 0.090000 1.0080 0 605 DPE 5 DPPE H16Z HAL3 0.090000 1.0080 0 606 DPE 6 DPPE N NH3L -0.300000 14.0070 0 607 DPE 6 DPPE HN1 HCL 0.330000 1.0080 0 608 DPE 6 DPPE HN2 HCL 0.330000 1.0080 0 609 DPE 6 DPPE HN3 HCL 0.330000 1.0080 0 610 DPE 6 DPPE C12 CTL2 0.130000 12.0110 0 611 DPE 6 DPPE H12A HAL2 0.090000 1.0080 0 612 DPE 6 DPPE H12B HAL2 0.090000 1.0080 0 613 DPE 6 DPPE C11 CTL2 -0.080000 12.0110 0 614 DPE 6 DPPE H11A HAL2 0.090000 1.0080 0 615 DPE 6 DPPE H11B HAL2 0.090000 1.0080 0 616 DPE 6 DPPE P PL 1.500000 30.9740 0 617 DPE 6 DPPE O13 O2L -0.780000 15.9994 0 618 DPE 6 DPPE O14 O2L -0.780000 15.9994 0 619 DPE 6 DPPE O11 OSL -0.570000 15.9994 0 620 DPE 6 DPPE O12 OSL -0.570000 15.9994 0 621 DPE 6 DPPE C1 CTL2 -0.080000 12.0110 0 622 DPE 6 DPPE HA HAL2 0.090000 1.0080 0 623 DPE 6 DPPE HB HAL2 0.090000 1.0080 0 624 DPE 6 DPPE C2 CTL1 0.040000 12.0110 0 625 DPE 6 DPPE HS HAL1 0.090000 1.0080 0 626 DPE 6 DPPE O21 OSL -0.340000 15.9994 0 627 DPE 6 DPPE C21 CL 0.630000 12.0110 0 628 DPE 6 DPPE O22 OBL -0.520000 15.9994 0 629 DPE 6 DPPE C22 CTL2 -0.080000 12.0110 0 630 DPE 6 DPPE H2R HAL2 0.090000 1.0080 0 631 DPE 6 DPPE H2S HAL2 0.090000 1.0080 0 632 DPE 6 DPPE C3 CTL2 -0.050000 12.0110 0 633 DPE 6 DPPE HX HAL2 0.090000 1.0080 0 634 DPE 6 DPPE HY HAL2 0.090000 1.0080 0 635 DPE 6 DPPE O31 OSL -0.340000 15.9994 0 636 DPE 6 DPPE C31 CL 0.630000 12.0110 0 637 DPE 6 DPPE O32 OBL -0.520000 15.9994 0 638 DPE 6 DPPE C32 CTL2 -0.080000 12.0110 0 639 DPE 6 DPPE H2X HAL2 0.090000 1.0080 0 640 DPE 6 DPPE H2Y HAL2 0.090000 1.0080 0 641 DPE 6 DPPE C23 CTL2 -0.180000 12.0110 0 642 DPE 6 DPPE H3R HAL2 0.090000 1.0080 0 643 DPE 6 DPPE H3S HAL2 0.090000 1.0080 0 644 DPE 6 DPPE C24 CTL2 -0.180000 12.0110 0 645 DPE 6 DPPE H4R HAL2 0.090000 1.0080 0 646 DPE 6 DPPE H4S HAL2 0.090000 1.0080 0 647 DPE 6 DPPE C25 CTL2 -0.180000 12.0110 0 648 DPE 6 DPPE H5R HAL2 0.090000 1.0080 0 649 DPE 6 DPPE H5S HAL2 0.090000 1.0080 0 650 DPE 6 DPPE C26 CTL2 -0.180000 12.0110 0 651 DPE 6 DPPE H6R HAL2 0.090000 1.0080 0 652 DPE 6 DPPE H6S HAL2 0.090000 1.0080 0 653 DPE 6 DPPE C27 CTL2 -0.180000 12.0110 0 654 DPE 6 DPPE H7R HAL2 0.090000 1.0080 0 655 DPE 6 DPPE H7S HAL2 0.090000 1.0080 0 656 DPE 6 DPPE C28 CTL2 -0.180000 12.0110 0 657 DPE 6 DPPE H8R HAL2 0.090000 1.0080 0 658 DPE 6 DPPE H8S HAL2 0.090000 1.0080 0 659 DPE 6 DPPE C29 CTL2 -0.180000 12.0110 0 660 DPE 6 DPPE H9R HAL2 0.090000 1.0080 0 661 DPE 6 DPPE H9S HAL2 0.090000 1.0080 0 662 DPE 6 DPPE C210 CTL2 -0.180000 12.0110 0 663 DPE 6 DPPE H10R HAL2 0.090000 1.0080 0 664 DPE 6 DPPE H10S HAL2 0.090000 1.0080 0 665 DPE 6 DPPE C211 CTL2 -0.180000 12.0110 0 666 DPE 6 DPPE H11R HAL2 0.090000 1.0080 0 667 DPE 6 DPPE H11S HAL2 0.090000 1.0080 0 668 DPE 6 DPPE C212 CTL2 -0.180000 12.0110 0 669 DPE 6 DPPE H12R HAL2 0.090000 1.0080 0 670 DPE 6 DPPE H12S HAL2 0.090000 1.0080 0 671 DPE 6 DPPE C213 CTL2 -0.180000 12.0110 0 672 DPE 6 DPPE H13R HAL2 0.090000 1.0080 0 673 DPE 6 DPPE H13S HAL2 0.090000 1.0080 0 674 DPE 6 DPPE C214 CTL2 -0.180000 12.0110 0 675 DPE 6 DPPE H14R HAL2 0.090000 1.0080 0 676 DPE 6 DPPE H14S HAL2 0.090000 1.0080 0 677 DPE 6 DPPE C215 CTL2 -0.180000 12.0110 0 678 DPE 6 DPPE H15R HAL2 0.090000 1.0080 0 679 DPE 6 DPPE H15S HAL2 0.090000 1.0080 0 680 DPE 6 DPPE C216 CTL3 -0.270000 12.0110 0 681 DPE 6 DPPE H16R HAL3 0.090000 1.0080 0 682 DPE 6 DPPE H16S HAL3 0.090000 1.0080 0 683 DPE 6 DPPE H16T HAL3 0.090000 1.0080 0 684 DPE 6 DPPE C33 CTL2 -0.180000 12.0110 0 685 DPE 6 DPPE H3X HAL2 0.090000 1.0080 0 686 DPE 6 DPPE H3Y HAL2 0.090000 1.0080 0 687 DPE 6 DPPE C34 CTL2 -0.180000 12.0110 0 688 DPE 6 DPPE H4X HAL2 0.090000 1.0080 0 689 DPE 6 DPPE H4Y HAL2 0.090000 1.0080 0 690 DPE 6 DPPE C35 CTL2 -0.180000 12.0110 0 691 DPE 6 DPPE H5X HAL2 0.090000 1.0080 0 692 DPE 6 DPPE H5Y HAL2 0.090000 1.0080 0 693 DPE 6 DPPE C36 CTL2 -0.180000 12.0110 0 694 DPE 6 DPPE H6X HAL2 0.090000 1.0080 0 695 DPE 6 DPPE H6Y HAL2 0.090000 1.0080 0 696 DPE 6 DPPE C37 CTL2 -0.180000 12.0110 0 697 DPE 6 DPPE H7X HAL2 0.090000 1.0080 0 698 DPE 6 DPPE H7Y HAL2 0.090000 1.0080 0 699 DPE 6 DPPE C38 CTL2 -0.180000 12.0110 0 700 DPE 6 DPPE H8X HAL2 0.090000 1.0080 0 701 DPE 6 DPPE H8Y HAL2 0.090000 1.0080 0 702 DPE 6 DPPE C39 CTL2 -0.180000 12.0110 0 703 DPE 6 DPPE H9X HAL2 0.090000 1.0080 0 704 DPE 6 DPPE H9Y HAL2 0.090000 1.0080 0 705 DPE 6 DPPE C310 CTL2 -0.180000 12.0110 0 706 DPE 6 DPPE H10X HAL2 0.090000 1.0080 0 707 DPE 6 DPPE H10Y HAL2 0.090000 1.0080 0 708 DPE 6 DPPE C311 CTL2 -0.180000 12.0110 0 709 DPE 6 DPPE H11X HAL2 0.090000 1.0080 0 710 DPE 6 DPPE H11Y HAL2 0.090000 1.0080 0 711 DPE 6 DPPE C312 CTL2 -0.180000 12.0110 0 712 DPE 6 DPPE H12X HAL2 0.090000 1.0080 0 713 DPE 6 DPPE H12Y HAL2 0.090000 1.0080 0 714 DPE 6 DPPE C313 CTL2 -0.180000 12.0110 0 715 DPE 6 DPPE H13X HAL2 0.090000 1.0080 0 716 DPE 6 DPPE H13Y HAL2 0.090000 1.0080 0 717 DPE 6 DPPE C314 CTL2 -0.180000 12.0110 0 718 DPE 6 DPPE H14X HAL2 0.090000 1.0080 0 719 DPE 6 DPPE H14Y HAL2 0.090000 1.0080 0 720 DPE 6 DPPE C315 CTL2 -0.180000 12.0110 0 721 DPE 6 DPPE H15X HAL2 0.090000 1.0080 0 722 DPE 6 DPPE H15Y HAL2 0.090000 1.0080 0 723 DPE 6 DPPE C316 CTL3 -0.270000 12.0110 0 724 DPE 6 DPPE H16X HAL3 0.090000 1.0080 0 725 DPE 6 DPPE H16Y HAL3 0.090000 1.0080 0 726 DPE 6 DPPE H16Z HAL3 0.090000 1.0080 0 727 DPE 7 DPPE N NH3L -0.300000 14.0070 0 728 DPE 7 DPPE HN1 HCL 0.330000 1.0080 0 729 DPE 7 DPPE HN2 HCL 0.330000 1.0080 0 730 DPE 7 DPPE HN3 HCL 0.330000 1.0080 0 731 DPE 7 DPPE C12 CTL2 0.130000 12.0110 0 732 DPE 7 DPPE H12A HAL2 0.090000 1.0080 0 733 DPE 7 DPPE H12B HAL2 0.090000 1.0080 0 734 DPE 7 DPPE C11 CTL2 -0.080000 12.0110 0 735 DPE 7 DPPE H11A HAL2 0.090000 1.0080 0 736 DPE 7 DPPE H11B HAL2 0.090000 1.0080 0 737 DPE 7 DPPE P PL 1.500000 30.9740 0 738 DPE 7 DPPE O13 O2L -0.780000 15.9994 0 739 DPE 7 DPPE O14 O2L -0.780000 15.9994 0 740 DPE 7 DPPE O11 OSL -0.570000 15.9994 0 741 DPE 7 DPPE O12 OSL -0.570000 15.9994 0 742 DPE 7 DPPE C1 CTL2 -0.080000 12.0110 0 743 DPE 7 DPPE HA HAL2 0.090000 1.0080 0 744 DPE 7 DPPE HB HAL2 0.090000 1.0080 0 745 DPE 7 DPPE C2 CTL1 0.040000 12.0110 0 746 DPE 7 DPPE HS HAL1 0.090000 1.0080 0 747 DPE 7 DPPE O21 OSL -0.340000 15.9994 0 748 DPE 7 DPPE C21 CL 0.630000 12.0110 0 749 DPE 7 DPPE O22 OBL -0.520000 15.9994 0 750 DPE 7 DPPE C22 CTL2 -0.080000 12.0110 0 751 DPE 7 DPPE H2R HAL2 0.090000 1.0080 0 752 DPE 7 DPPE H2S HAL2 0.090000 1.0080 0 753 DPE 7 DPPE C3 CTL2 -0.050000 12.0110 0 754 DPE 7 DPPE HX HAL2 0.090000 1.0080 0 755 DPE 7 DPPE HY HAL2 0.090000 1.0080 0 756 DPE 7 DPPE O31 OSL -0.340000 15.9994 0 757 DPE 7 DPPE C31 CL 0.630000 12.0110 0 758 DPE 7 DPPE O32 OBL -0.520000 15.9994 0 759 DPE 7 DPPE C32 CTL2 -0.080000 12.0110 0 760 DPE 7 DPPE H2X HAL2 0.090000 1.0080 0 761 DPE 7 DPPE H2Y HAL2 0.090000 1.0080 0 762 DPE 7 DPPE C23 CTL2 -0.180000 12.0110 0 763 DPE 7 DPPE H3R HAL2 0.090000 1.0080 0 764 DPE 7 DPPE H3S HAL2 0.090000 1.0080 0 765 DPE 7 DPPE C24 CTL2 -0.180000 12.0110 0 766 DPE 7 DPPE H4R HAL2 0.090000 1.0080 0 767 DPE 7 DPPE H4S HAL2 0.090000 1.0080 0 768 DPE 7 DPPE C25 CTL2 -0.180000 12.0110 0 769 DPE 7 DPPE H5R HAL2 0.090000 1.0080 0 770 DPE 7 DPPE H5S HAL2 0.090000 1.0080 0 771 DPE 7 DPPE C26 CTL2 -0.180000 12.0110 0 772 DPE 7 DPPE H6R HAL2 0.090000 1.0080 0 773 DPE 7 DPPE H6S HAL2 0.090000 1.0080 0 774 DPE 7 DPPE C27 CTL2 -0.180000 12.0110 0 775 DPE 7 DPPE H7R HAL2 0.090000 1.0080 0 776 DPE 7 DPPE H7S HAL2 0.090000 1.0080 0 777 DPE 7 DPPE C28 CTL2 -0.180000 12.0110 0 778 DPE 7 DPPE H8R HAL2 0.090000 1.0080 0 779 DPE 7 DPPE H8S HAL2 0.090000 1.0080 0 780 DPE 7 DPPE C29 CTL2 -0.180000 12.0110 0 781 DPE 7 DPPE H9R HAL2 0.090000 1.0080 0 782 DPE 7 DPPE H9S HAL2 0.090000 1.0080 0 783 DPE 7 DPPE C210 CTL2 -0.180000 12.0110 0 784 DPE 7 DPPE H10R HAL2 0.090000 1.0080 0 785 DPE 7 DPPE H10S HAL2 0.090000 1.0080 0 786 DPE 7 DPPE C211 CTL2 -0.180000 12.0110 0 787 DPE 7 DPPE H11R HAL2 0.090000 1.0080 0 788 DPE 7 DPPE H11S HAL2 0.090000 1.0080 0 789 DPE 7 DPPE C212 CTL2 -0.180000 12.0110 0 790 DPE 7 DPPE H12R HAL2 0.090000 1.0080 0 791 DPE 7 DPPE H12S HAL2 0.090000 1.0080 0 792 DPE 7 DPPE C213 CTL2 -0.180000 12.0110 0 793 DPE 7 DPPE H13R HAL2 0.090000 1.0080 0 794 DPE 7 DPPE H13S HAL2 0.090000 1.0080 0 795 DPE 7 DPPE C214 CTL2 -0.180000 12.0110 0 796 DPE 7 DPPE H14R HAL2 0.090000 1.0080 0 797 DPE 7 DPPE H14S HAL2 0.090000 1.0080 0 798 DPE 7 DPPE C215 CTL2 -0.180000 12.0110 0 799 DPE 7 DPPE H15R HAL2 0.090000 1.0080 0 800 DPE 7 DPPE H15S HAL2 0.090000 1.0080 0 801 DPE 7 DPPE C216 CTL3 -0.270000 12.0110 0 802 DPE 7 DPPE H16R HAL3 0.090000 1.0080 0 803 DPE 7 DPPE H16S HAL3 0.090000 1.0080 0 804 DPE 7 DPPE H16T HAL3 0.090000 1.0080 0 805 DPE 7 DPPE C33 CTL2 -0.180000 12.0110 0 806 DPE 7 DPPE H3X HAL2 0.090000 1.0080 0 807 DPE 7 DPPE H3Y HAL2 0.090000 1.0080 0 808 DPE 7 DPPE C34 CTL2 -0.180000 12.0110 0 809 DPE 7 DPPE H4X HAL2 0.090000 1.0080 0 810 DPE 7 DPPE H4Y HAL2 0.090000 1.0080 0 811 DPE 7 DPPE C35 CTL2 -0.180000 12.0110 0 812 DPE 7 DPPE H5X HAL2 0.090000 1.0080 0 813 DPE 7 DPPE H5Y HAL2 0.090000 1.0080 0 814 DPE 7 DPPE C36 CTL2 -0.180000 12.0110 0 815 DPE 7 DPPE H6X HAL2 0.090000 1.0080 0 816 DPE 7 DPPE H6Y HAL2 0.090000 1.0080 0 817 DPE 7 DPPE C37 CTL2 -0.180000 12.0110 0 818 DPE 7 DPPE H7X HAL2 0.090000 1.0080 0 819 DPE 7 DPPE H7Y HAL2 0.090000 1.0080 0 820 DPE 7 DPPE C38 CTL2 -0.180000 12.0110 0 821 DPE 7 DPPE H8X HAL2 0.090000 1.0080 0 822 DPE 7 DPPE H8Y HAL2 0.090000 1.0080 0 823 DPE 7 DPPE C39 CTL2 -0.180000 12.0110 0 824 DPE 7 DPPE H9X HAL2 0.090000 1.0080 0 825 DPE 7 DPPE H9Y HAL2 0.090000 1.0080 0 826 DPE 7 DPPE C310 CTL2 -0.180000 12.0110 0 827 DPE 7 DPPE H10X HAL2 0.090000 1.0080 0 828 DPE 7 DPPE H10Y HAL2 0.090000 1.0080 0 829 DPE 7 DPPE C311 CTL2 -0.180000 12.0110 0 830 DPE 7 DPPE H11X HAL2 0.090000 1.0080 0 831 DPE 7 DPPE H11Y HAL2 0.090000 1.0080 0 832 DPE 7 DPPE C312 CTL2 -0.180000 12.0110 0 833 DPE 7 DPPE H12X HAL2 0.090000 1.0080 0 834 DPE 7 DPPE H12Y HAL2 0.090000 1.0080 0 835 DPE 7 DPPE C313 CTL2 -0.180000 12.0110 0 836 DPE 7 DPPE H13X HAL2 0.090000 1.0080 0 837 DPE 7 DPPE H13Y HAL2 0.090000 1.0080 0 838 DPE 7 DPPE C314 CTL2 -0.180000 12.0110 0 839 DPE 7 DPPE H14X HAL2 0.090000 1.0080 0 840 DPE 7 DPPE H14Y HAL2 0.090000 1.0080 0 841 DPE 7 DPPE C315 CTL2 -0.180000 12.0110 0 842 DPE 7 DPPE H15X HAL2 0.090000 1.0080 0 843 DPE 7 DPPE H15Y HAL2 0.090000 1.0080 0 844 DPE 7 DPPE C316 CTL3 -0.270000 12.0110 0 845 DPE 7 DPPE H16X HAL3 0.090000 1.0080 0 846 DPE 7 DPPE H16Y HAL3 0.090000 1.0080 0 847 DPE 7 DPPE H16Z HAL3 0.090000 1.0080 0 848 DPE 8 DPPE N NH3L -0.300000 14.0070 0 849 DPE 8 DPPE HN1 HCL 0.330000 1.0080 0 850 DPE 8 DPPE HN2 HCL 0.330000 1.0080 0 851 DPE 8 DPPE HN3 HCL 0.330000 1.0080 0 852 DPE 8 DPPE C12 CTL2 0.130000 12.0110 0 853 DPE 8 DPPE H12A HAL2 0.090000 1.0080 0 854 DPE 8 DPPE H12B HAL2 0.090000 1.0080 0 855 DPE 8 DPPE C11 CTL2 -0.080000 12.0110 0 856 DPE 8 DPPE H11A HAL2 0.090000 1.0080 0 857 DPE 8 DPPE H11B HAL2 0.090000 1.0080 0 858 DPE 8 DPPE P PL 1.500000 30.9740 0 859 DPE 8 DPPE O13 O2L -0.780000 15.9994 0 860 DPE 8 DPPE O14 O2L -0.780000 15.9994 0 861 DPE 8 DPPE O11 OSL -0.570000 15.9994 0 862 DPE 8 DPPE O12 OSL -0.570000 15.9994 0 863 DPE 8 DPPE C1 CTL2 -0.080000 12.0110 0 864 DPE 8 DPPE HA HAL2 0.090000 1.0080 0 865 DPE 8 DPPE HB HAL2 0.090000 1.0080 0 866 DPE 8 DPPE C2 CTL1 0.040000 12.0110 0 867 DPE 8 DPPE HS HAL1 0.090000 1.0080 0 868 DPE 8 DPPE O21 OSL -0.340000 15.9994 0 869 DPE 8 DPPE C21 CL 0.630000 12.0110 0 870 DPE 8 DPPE O22 OBL -0.520000 15.9994 0 871 DPE 8 DPPE C22 CTL2 -0.080000 12.0110 0 872 DPE 8 DPPE H2R HAL2 0.090000 1.0080 0 873 DPE 8 DPPE H2S HAL2 0.090000 1.0080 0 874 DPE 8 DPPE C3 CTL2 -0.050000 12.0110 0 875 DPE 8 DPPE HX HAL2 0.090000 1.0080 0 876 DPE 8 DPPE HY HAL2 0.090000 1.0080 0 877 DPE 8 DPPE O31 OSL -0.340000 15.9994 0 878 DPE 8 DPPE C31 CL 0.630000 12.0110 0 879 DPE 8 DPPE O32 OBL -0.520000 15.9994 0 880 DPE 8 DPPE C32 CTL2 -0.080000 12.0110 0 881 DPE 8 DPPE H2X HAL2 0.090000 1.0080 0 882 DPE 8 DPPE H2Y HAL2 0.090000 1.0080 0 883 DPE 8 DPPE C23 CTL2 -0.180000 12.0110 0 884 DPE 8 DPPE H3R HAL2 0.090000 1.0080 0 885 DPE 8 DPPE H3S HAL2 0.090000 1.0080 0 886 DPE 8 DPPE C24 CTL2 -0.180000 12.0110 0 887 DPE 8 DPPE H4R HAL2 0.090000 1.0080 0 888 DPE 8 DPPE H4S HAL2 0.090000 1.0080 0 889 DPE 8 DPPE C25 CTL2 -0.180000 12.0110 0 890 DPE 8 DPPE H5R HAL2 0.090000 1.0080 0 891 DPE 8 DPPE H5S HAL2 0.090000 1.0080 0 892 DPE 8 DPPE C26 CTL2 -0.180000 12.0110 0 893 DPE 8 DPPE H6R HAL2 0.090000 1.0080 0 894 DPE 8 DPPE H6S HAL2 0.090000 1.0080 0 895 DPE 8 DPPE C27 CTL2 -0.180000 12.0110 0 896 DPE 8 DPPE H7R HAL2 0.090000 1.0080 0 897 DPE 8 DPPE H7S HAL2 0.090000 1.0080 0 898 DPE 8 DPPE C28 CTL2 -0.180000 12.0110 0 899 DPE 8 DPPE H8R HAL2 0.090000 1.0080 0 900 DPE 8 DPPE H8S HAL2 0.090000 1.0080 0 901 DPE 8 DPPE C29 CTL2 -0.180000 12.0110 0 902 DPE 8 DPPE H9R HAL2 0.090000 1.0080 0 903 DPE 8 DPPE H9S HAL2 0.090000 1.0080 0 904 DPE 8 DPPE C210 CTL2 -0.180000 12.0110 0 905 DPE 8 DPPE H10R HAL2 0.090000 1.0080 0 906 DPE 8 DPPE H10S HAL2 0.090000 1.0080 0 907 DPE 8 DPPE C211 CTL2 -0.180000 12.0110 0 908 DPE 8 DPPE H11R HAL2 0.090000 1.0080 0 909 DPE 8 DPPE H11S HAL2 0.090000 1.0080 0 910 DPE 8 DPPE C212 CTL2 -0.180000 12.0110 0 911 DPE 8 DPPE H12R HAL2 0.090000 1.0080 0 912 DPE 8 DPPE H12S HAL2 0.090000 1.0080 0 913 DPE 8 DPPE C213 CTL2 -0.180000 12.0110 0 914 DPE 8 DPPE H13R HAL2 0.090000 1.0080 0 915 DPE 8 DPPE H13S HAL2 0.090000 1.0080 0 916 DPE 8 DPPE C214 CTL2 -0.180000 12.0110 0 917 DPE 8 DPPE H14R HAL2 0.090000 1.0080 0 918 DPE 8 DPPE H14S HAL2 0.090000 1.0080 0 919 DPE 8 DPPE C215 CTL2 -0.180000 12.0110 0 920 DPE 8 DPPE H15R HAL2 0.090000 1.0080 0 921 DPE 8 DPPE H15S HAL2 0.090000 1.0080 0 922 DPE 8 DPPE C216 CTL3 -0.270000 12.0110 0 923 DPE 8 DPPE H16R HAL3 0.090000 1.0080 0 924 DPE 8 DPPE H16S HAL3 0.090000 1.0080 0 925 DPE 8 DPPE H16T HAL3 0.090000 1.0080 0 926 DPE 8 DPPE C33 CTL2 -0.180000 12.0110 0 927 DPE 8 DPPE H3X HAL2 0.090000 1.0080 0 928 DPE 8 DPPE H3Y HAL2 0.090000 1.0080 0 929 DPE 8 DPPE C34 CTL2 -0.180000 12.0110 0 930 DPE 8 DPPE H4X HAL2 0.090000 1.0080 0 931 DPE 8 DPPE H4Y HAL2 0.090000 1.0080 0 932 DPE 8 DPPE C35 CTL2 -0.180000 12.0110 0 933 DPE 8 DPPE H5X HAL2 0.090000 1.0080 0 934 DPE 8 DPPE H5Y HAL2 0.090000 1.0080 0 935 DPE 8 DPPE C36 CTL2 -0.180000 12.0110 0 936 DPE 8 DPPE H6X HAL2 0.090000 1.0080 0 937 DPE 8 DPPE H6Y HAL2 0.090000 1.0080 0 938 DPE 8 DPPE C37 CTL2 -0.180000 12.0110 0 939 DPE 8 DPPE H7X HAL2 0.090000 1.0080 0 940 DPE 8 DPPE H7Y HAL2 0.090000 1.0080 0 941 DPE 8 DPPE C38 CTL2 -0.180000 12.0110 0 942 DPE 8 DPPE H8X HAL2 0.090000 1.0080 0 943 DPE 8 DPPE H8Y HAL2 0.090000 1.0080 0 944 DPE 8 DPPE C39 CTL2 -0.180000 12.0110 0 945 DPE 8 DPPE H9X HAL2 0.090000 1.0080 0 946 DPE 8 DPPE H9Y HAL2 0.090000 1.0080 0 947 DPE 8 DPPE C310 CTL2 -0.180000 12.0110 0 948 DPE 8 DPPE H10X HAL2 0.090000 1.0080 0 949 DPE 8 DPPE H10Y HAL2 0.090000 1.0080 0 950 DPE 8 DPPE C311 CTL2 -0.180000 12.0110 0 951 DPE 8 DPPE H11X HAL2 0.090000 1.0080 0 952 DPE 8 DPPE H11Y HAL2 0.090000 1.0080 0 953 DPE 8 DPPE C312 CTL2 -0.180000 12.0110 0 954 DPE 8 DPPE H12X HAL2 0.090000 1.0080 0 955 DPE 8 DPPE H12Y HAL2 0.090000 1.0080 0 956 DPE 8 DPPE C313 CTL2 -0.180000 12.0110 0 957 DPE 8 DPPE H13X HAL2 0.090000 1.0080 0 958 DPE 8 DPPE H13Y HAL2 0.090000 1.0080 0 959 DPE 8 DPPE C314 CTL2 -0.180000 12.0110 0 960 DPE 8 DPPE H14X HAL2 0.090000 1.0080 0 961 DPE 8 DPPE H14Y HAL2 0.090000 1.0080 0 962 DPE 8 DPPE C315 CTL2 -0.180000 12.0110 0 963 DPE 8 DPPE H15X HAL2 0.090000 1.0080 0 964 DPE 8 DPPE H15Y HAL2 0.090000 1.0080 0 965 DPE 8 DPPE C316 CTL3 -0.270000 12.0110 0 966 DPE 8 DPPE H16X HAL3 0.090000 1.0080 0 967 DPE 8 DPPE H16Y HAL3 0.090000 1.0080 0 968 DPE 8 DPPE H16Z HAL3 0.090000 1.0080 0 969 DPE 9 DPPE N NH3L -0.300000 14.0070 0 970 DPE 9 DPPE HN1 HCL 0.330000 1.0080 0 971 DPE 9 DPPE HN2 HCL 0.330000 1.0080 0 972 DPE 9 DPPE HN3 HCL 0.330000 1.0080 0 973 DPE 9 DPPE C12 CTL2 0.130000 12.0110 0 974 DPE 9 DPPE H12A HAL2 0.090000 1.0080 0 975 DPE 9 DPPE H12B HAL2 0.090000 1.0080 0 976 DPE 9 DPPE C11 CTL2 -0.080000 12.0110 0 977 DPE 9 DPPE H11A HAL2 0.090000 1.0080 0 978 DPE 9 DPPE H11B HAL2 0.090000 1.0080 0 979 DPE 9 DPPE P PL 1.500000 30.9740 0 980 DPE 9 DPPE O13 O2L -0.780000 15.9994 0 981 DPE 9 DPPE O14 O2L -0.780000 15.9994 0 982 DPE 9 DPPE O11 OSL -0.570000 15.9994 0 983 DPE 9 DPPE O12 OSL -0.570000 15.9994 0 984 DPE 9 DPPE C1 CTL2 -0.080000 12.0110 0 985 DPE 9 DPPE HA HAL2 0.090000 1.0080 0 986 DPE 9 DPPE HB HAL2 0.090000 1.0080 0 987 DPE 9 DPPE C2 CTL1 0.040000 12.0110 0 988 DPE 9 DPPE HS HAL1 0.090000 1.0080 0 989 DPE 9 DPPE O21 OSL -0.340000 15.9994 0 990 DPE 9 DPPE C21 CL 0.630000 12.0110 0 991 DPE 9 DPPE O22 OBL -0.520000 15.9994 0 992 DPE 9 DPPE C22 CTL2 -0.080000 12.0110 0 993 DPE 9 DPPE H2R HAL2 0.090000 1.0080 0 994 DPE 9 DPPE H2S HAL2 0.090000 1.0080 0 995 DPE 9 DPPE C3 CTL2 -0.050000 12.0110 0 996 DPE 9 DPPE HX HAL2 0.090000 1.0080 0 997 DPE 9 DPPE HY HAL2 0.090000 1.0080 0 998 DPE 9 DPPE O31 OSL -0.340000 15.9994 0 999 DPE 9 DPPE C31 CL 0.630000 12.0110 0 1000 DPE 9 DPPE O32 OBL -0.520000 15.9994 0 1001 DPE 9 DPPE C32 CTL2 -0.080000 12.0110 0 1002 DPE 9 DPPE H2X HAL2 0.090000 1.0080 0 1003 DPE 9 DPPE H2Y HAL2 0.090000 1.0080 0 1004 DPE 9 DPPE C23 CTL2 -0.180000 12.0110 0 1005 DPE 9 DPPE H3R HAL2 0.090000 1.0080 0 1006 DPE 9 DPPE H3S HAL2 0.090000 1.0080 0 1007 DPE 9 DPPE C24 CTL2 -0.180000 12.0110 0 1008 DPE 9 DPPE H4R HAL2 0.090000 1.0080 0 1009 DPE 9 DPPE H4S HAL2 0.090000 1.0080 0 1010 DPE 9 DPPE C25 CTL2 -0.180000 12.0110 0 1011 DPE 9 DPPE H5R HAL2 0.090000 1.0080 0 1012 DPE 9 DPPE H5S HAL2 0.090000 1.0080 0 1013 DPE 9 DPPE C26 CTL2 -0.180000 12.0110 0 1014 DPE 9 DPPE H6R HAL2 0.090000 1.0080 0 1015 DPE 9 DPPE H6S HAL2 0.090000 1.0080 0 1016 DPE 9 DPPE C27 CTL2 -0.180000 12.0110 0 1017 DPE 9 DPPE H7R HAL2 0.090000 1.0080 0 1018 DPE 9 DPPE H7S HAL2 0.090000 1.0080 0 1019 DPE 9 DPPE C28 CTL2 -0.180000 12.0110 0 1020 DPE 9 DPPE H8R HAL2 0.090000 1.0080 0 1021 DPE 9 DPPE H8S HAL2 0.090000 1.0080 0 1022 DPE 9 DPPE C29 CTL2 -0.180000 12.0110 0 1023 DPE 9 DPPE H9R HAL2 0.090000 1.0080 0 1024 DPE 9 DPPE H9S HAL2 0.090000 1.0080 0 1025 DPE 9 DPPE C210 CTL2 -0.180000 12.0110 0 1026 DPE 9 DPPE H10R HAL2 0.090000 1.0080 0 1027 DPE 9 DPPE H10S HAL2 0.090000 1.0080 0 1028 DPE 9 DPPE C211 CTL2 -0.180000 12.0110 0 1029 DPE 9 DPPE H11R HAL2 0.090000 1.0080 0 1030 DPE 9 DPPE H11S HAL2 0.090000 1.0080 0 1031 DPE 9 DPPE C212 CTL2 -0.180000 12.0110 0 1032 DPE 9 DPPE H12R HAL2 0.090000 1.0080 0 1033 DPE 9 DPPE H12S HAL2 0.090000 1.0080 0 1034 DPE 9 DPPE C213 CTL2 -0.180000 12.0110 0 1035 DPE 9 DPPE H13R HAL2 0.090000 1.0080 0 1036 DPE 9 DPPE H13S HAL2 0.090000 1.0080 0 1037 DPE 9 DPPE C214 CTL2 -0.180000 12.0110 0 1038 DPE 9 DPPE H14R HAL2 0.090000 1.0080 0 1039 DPE 9 DPPE H14S HAL2 0.090000 1.0080 0 1040 DPE 9 DPPE C215 CTL2 -0.180000 12.0110 0 1041 DPE 9 DPPE H15R HAL2 0.090000 1.0080 0 1042 DPE 9 DPPE H15S HAL2 0.090000 1.0080 0 1043 DPE 9 DPPE C216 CTL3 -0.270000 12.0110 0 1044 DPE 9 DPPE H16R HAL3 0.090000 1.0080 0 1045 DPE 9 DPPE H16S HAL3 0.090000 1.0080 0 1046 DPE 9 DPPE H16T HAL3 0.090000 1.0080 0 1047 DPE 9 DPPE C33 CTL2 -0.180000 12.0110 0 1048 DPE 9 DPPE H3X HAL2 0.090000 1.0080 0 1049 DPE 9 DPPE H3Y HAL2 0.090000 1.0080 0 1050 DPE 9 DPPE C34 CTL2 -0.180000 12.0110 0 1051 DPE 9 DPPE H4X HAL2 0.090000 1.0080 0 1052 DPE 9 DPPE H4Y HAL2 0.090000 1.0080 0 1053 DPE 9 DPPE C35 CTL2 -0.180000 12.0110 0 1054 DPE 9 DPPE H5X HAL2 0.090000 1.0080 0 1055 DPE 9 DPPE H5Y HAL2 0.090000 1.0080 0 1056 DPE 9 DPPE C36 CTL2 -0.180000 12.0110 0 1057 DPE 9 DPPE H6X HAL2 0.090000 1.0080 0 1058 DPE 9 DPPE H6Y HAL2 0.090000 1.0080 0 1059 DPE 9 DPPE C37 CTL2 -0.180000 12.0110 0 1060 DPE 9 DPPE H7X HAL2 0.090000 1.0080 0 1061 DPE 9 DPPE H7Y HAL2 0.090000 1.0080 0 1062 DPE 9 DPPE C38 CTL2 -0.180000 12.0110 0 1063 DPE 9 DPPE H8X HAL2 0.090000 1.0080 0 1064 DPE 9 DPPE H8Y HAL2 0.090000 1.0080 0 1065 DPE 9 DPPE C39 CTL2 -0.180000 12.0110 0 1066 DPE 9 DPPE H9X HAL2 0.090000 1.0080 0 1067 DPE 9 DPPE H9Y HAL2 0.090000 1.0080 0 1068 DPE 9 DPPE C310 CTL2 -0.180000 12.0110 0 1069 DPE 9 DPPE H10X HAL2 0.090000 1.0080 0 1070 DPE 9 DPPE H10Y HAL2 0.090000 1.0080 0 1071 DPE 9 DPPE C311 CTL2 -0.180000 12.0110 0 1072 DPE 9 DPPE H11X HAL2 0.090000 1.0080 0 1073 DPE 9 DPPE H11Y HAL2 0.090000 1.0080 0 1074 DPE 9 DPPE C312 CTL2 -0.180000 12.0110 0 1075 DPE 9 DPPE H12X HAL2 0.090000 1.0080 0 1076 DPE 9 DPPE H12Y HAL2 0.090000 1.0080 0 1077 DPE 9 DPPE C313 CTL2 -0.180000 12.0110 0 1078 DPE 9 DPPE H13X HAL2 0.090000 1.0080 0 1079 DPE 9 DPPE H13Y HAL2 0.090000 1.0080 0 1080 DPE 9 DPPE C314 CTL2 -0.180000 12.0110 0 1081 DPE 9 DPPE H14X HAL2 0.090000 1.0080 0 1082 DPE 9 DPPE H14Y HAL2 0.090000 1.0080 0 1083 DPE 9 DPPE C315 CTL2 -0.180000 12.0110 0 1084 DPE 9 DPPE H15X HAL2 0.090000 1.0080 0 1085 DPE 9 DPPE H15Y HAL2 0.090000 1.0080 0 1086 DPE 9 DPPE C316 CTL3 -0.270000 12.0110 0 1087 DPE 9 DPPE H16X HAL3 0.090000 1.0080 0 1088 DPE 9 DPPE H16Y HAL3 0.090000 1.0080 0 1089 DPE 9 DPPE H16Z HAL3 0.090000 1.0080 0 1090 DPE 10 DPPE N NH3L -0.300000 14.0070 0 1091 DPE 10 DPPE HN1 HCL 0.330000 1.0080 0 1092 DPE 10 DPPE HN2 HCL 0.330000 1.0080 0 1093 DPE 10 DPPE HN3 HCL 0.330000 1.0080 0 1094 DPE 10 DPPE C12 CTL2 0.130000 12.0110 0 1095 DPE 10 DPPE H12A HAL2 0.090000 1.0080 0 1096 DPE 10 DPPE H12B HAL2 0.090000 1.0080 0 1097 DPE 10 DPPE C11 CTL2 -0.080000 12.0110 0 1098 DPE 10 DPPE H11A HAL2 0.090000 1.0080 0 1099 DPE 10 DPPE H11B HAL2 0.090000 1.0080 0 1100 DPE 10 DPPE P PL 1.500000 30.9740 0 1101 DPE 10 DPPE O13 O2L -0.780000 15.9994 0 1102 DPE 10 DPPE O14 O2L -0.780000 15.9994 0 1103 DPE 10 DPPE O11 OSL -0.570000 15.9994 0 1104 DPE 10 DPPE O12 OSL -0.570000 15.9994 0 1105 DPE 10 DPPE C1 CTL2 -0.080000 12.0110 0 1106 DPE 10 DPPE HA HAL2 0.090000 1.0080 0 1107 DPE 10 DPPE HB HAL2 0.090000 1.0080 0 1108 DPE 10 DPPE C2 CTL1 0.040000 12.0110 0 1109 DPE 10 DPPE HS HAL1 0.090000 1.0080 0 1110 DPE 10 DPPE O21 OSL -0.340000 15.9994 0 1111 DPE 10 DPPE C21 CL 0.630000 12.0110 0 1112 DPE 10 DPPE O22 OBL -0.520000 15.9994 0 1113 DPE 10 DPPE C22 CTL2 -0.080000 12.0110 0 1114 DPE 10 DPPE H2R HAL2 0.090000 1.0080 0 1115 DPE 10 DPPE H2S HAL2 0.090000 1.0080 0 1116 DPE 10 DPPE C3 CTL2 -0.050000 12.0110 0 1117 DPE 10 DPPE HX HAL2 0.090000 1.0080 0 1118 DPE 10 DPPE HY HAL2 0.090000 1.0080 0 1119 DPE 10 DPPE O31 OSL -0.340000 15.9994 0 1120 DPE 10 DPPE C31 CL 0.630000 12.0110 0 1121 DPE 10 DPPE O32 OBL -0.520000 15.9994 0 1122 DPE 10 DPPE C32 CTL2 -0.080000 12.0110 0 1123 DPE 10 DPPE H2X HAL2 0.090000 1.0080 0 1124 DPE 10 DPPE H2Y HAL2 0.090000 1.0080 0 1125 DPE 10 DPPE C23 CTL2 -0.180000 12.0110 0 1126 DPE 10 DPPE H3R HAL2 0.090000 1.0080 0 1127 DPE 10 DPPE H3S HAL2 0.090000 1.0080 0 1128 DPE 10 DPPE C24 CTL2 -0.180000 12.0110 0 1129 DPE 10 DPPE H4R HAL2 0.090000 1.0080 0 1130 DPE 10 DPPE H4S HAL2 0.090000 1.0080 0 1131 DPE 10 DPPE C25 CTL2 -0.180000 12.0110 0 1132 DPE 10 DPPE H5R HAL2 0.090000 1.0080 0 1133 DPE 10 DPPE H5S HAL2 0.090000 1.0080 0 1134 DPE 10 DPPE C26 CTL2 -0.180000 12.0110 0 1135 DPE 10 DPPE H6R HAL2 0.090000 1.0080 0 1136 DPE 10 DPPE H6S HAL2 0.090000 1.0080 0 1137 DPE 10 DPPE C27 CTL2 -0.180000 12.0110 0 1138 DPE 10 DPPE H7R HAL2 0.090000 1.0080 0 1139 DPE 10 DPPE H7S HAL2 0.090000 1.0080 0 1140 DPE 10 DPPE C28 CTL2 -0.180000 12.0110 0 1141 DPE 10 DPPE H8R HAL2 0.090000 1.0080 0 1142 DPE 10 DPPE H8S HAL2 0.090000 1.0080 0 1143 DPE 10 DPPE C29 CTL2 -0.180000 12.0110 0 1144 DPE 10 DPPE H9R HAL2 0.090000 1.0080 0 1145 DPE 10 DPPE H9S HAL2 0.090000 1.0080 0 1146 DPE 10 DPPE C210 CTL2 -0.180000 12.0110 0 1147 DPE 10 DPPE H10R HAL2 0.090000 1.0080 0 1148 DPE 10 DPPE H10S HAL2 0.090000 1.0080 0 1149 DPE 10 DPPE C211 CTL2 -0.180000 12.0110 0 1150 DPE 10 DPPE H11R HAL2 0.090000 1.0080 0 1151 DPE 10 DPPE H11S HAL2 0.090000 1.0080 0 1152 DPE 10 DPPE C212 CTL2 -0.180000 12.0110 0 1153 DPE 10 DPPE H12R HAL2 0.090000 1.0080 0 1154 DPE 10 DPPE H12S HAL2 0.090000 1.0080 0 1155 DPE 10 DPPE C213 CTL2 -0.180000 12.0110 0 1156 DPE 10 DPPE H13R HAL2 0.090000 1.0080 0 1157 DPE 10 DPPE H13S HAL2 0.090000 1.0080 0 1158 DPE 10 DPPE C214 CTL2 -0.180000 12.0110 0 1159 DPE 10 DPPE H14R HAL2 0.090000 1.0080 0 1160 DPE 10 DPPE H14S HAL2 0.090000 1.0080 0 1161 DPE 10 DPPE C215 CTL2 -0.180000 12.0110 0 1162 DPE 10 DPPE H15R HAL2 0.090000 1.0080 0 1163 DPE 10 DPPE H15S HAL2 0.090000 1.0080 0 1164 DPE 10 DPPE C216 CTL3 -0.270000 12.0110 0 1165 DPE 10 DPPE H16R HAL3 0.090000 1.0080 0 1166 DPE 10 DPPE H16S HAL3 0.090000 1.0080 0 1167 DPE 10 DPPE H16T HAL3 0.090000 1.0080 0 1168 DPE 10 DPPE C33 CTL2 -0.180000 12.0110 0 1169 DPE 10 DPPE H3X HAL2 0.090000 1.0080 0 1170 DPE 10 DPPE H3Y HAL2 0.090000 1.0080 0 1171 DPE 10 DPPE C34 CTL2 -0.180000 12.0110 0 1172 DPE 10 DPPE H4X HAL2 0.090000 1.0080 0 1173 DPE 10 DPPE H4Y HAL2 0.090000 1.0080 0 1174 DPE 10 DPPE C35 CTL2 -0.180000 12.0110 0 1175 DPE 10 DPPE H5X HAL2 0.090000 1.0080 0 1176 DPE 10 DPPE H5Y HAL2 0.090000 1.0080 0 1177 DPE 10 DPPE C36 CTL2 -0.180000 12.0110 0 1178 DPE 10 DPPE H6X HAL2 0.090000 1.0080 0 1179 DPE 10 DPPE H6Y HAL2 0.090000 1.0080 0 1180 DPE 10 DPPE C37 CTL2 -0.180000 12.0110 0 1181 DPE 10 DPPE H7X HAL2 0.090000 1.0080 0 1182 DPE 10 DPPE H7Y HAL2 0.090000 1.0080 0 1183 DPE 10 DPPE C38 CTL2 -0.180000 12.0110 0 1184 DPE 10 DPPE H8X HAL2 0.090000 1.0080 0 1185 DPE 10 DPPE H8Y HAL2 0.090000 1.0080 0 1186 DPE 10 DPPE C39 CTL2 -0.180000 12.0110 0 1187 DPE 10 DPPE H9X HAL2 0.090000 1.0080 0 1188 DPE 10 DPPE H9Y HAL2 0.090000 1.0080 0 1189 DPE 10 DPPE C310 CTL2 -0.180000 12.0110 0 1190 DPE 10 DPPE H10X HAL2 0.090000 1.0080 0 1191 DPE 10 DPPE H10Y HAL2 0.090000 1.0080 0 1192 DPE 10 DPPE C311 CTL2 -0.180000 12.0110 0 1193 DPE 10 DPPE H11X HAL2 0.090000 1.0080 0 1194 DPE 10 DPPE H11Y HAL2 0.090000 1.0080 0 1195 DPE 10 DPPE C312 CTL2 -0.180000 12.0110 0 1196 DPE 10 DPPE H12X HAL2 0.090000 1.0080 0 1197 DPE 10 DPPE H12Y HAL2 0.090000 1.0080 0 1198 DPE 10 DPPE C313 CTL2 -0.180000 12.0110 0 1199 DPE 10 DPPE H13X HAL2 0.090000 1.0080 0 1200 DPE 10 DPPE H13Y HAL2 0.090000 1.0080 0 1201 DPE 10 DPPE C314 CTL2 -0.180000 12.0110 0 1202 DPE 10 DPPE H14X HAL2 0.090000 1.0080 0 1203 DPE 10 DPPE H14Y HAL2 0.090000 1.0080 0 1204 DPE 10 DPPE C315 CTL2 -0.180000 12.0110 0 1205 DPE 10 DPPE H15X HAL2 0.090000 1.0080 0 1206 DPE 10 DPPE H15Y HAL2 0.090000 1.0080 0 1207 DPE 10 DPPE C316 CTL3 -0.270000 12.0110 0 1208 DPE 10 DPPE H16X HAL3 0.090000 1.0080 0 1209 DPE 10 DPPE H16Y HAL3 0.090000 1.0080 0 1210 DPE 10 DPPE H16Z HAL3 0.090000 1.0080 0 1211 DPE 11 DPPE N NH3L -0.300000 14.0070 0 1212 DPE 11 DPPE HN1 HCL 0.330000 1.0080 0 1213 DPE 11 DPPE HN2 HCL 0.330000 1.0080 0 1214 DPE 11 DPPE HN3 HCL 0.330000 1.0080 0 1215 DPE 11 DPPE C12 CTL2 0.130000 12.0110 0 1216 DPE 11 DPPE H12A HAL2 0.090000 1.0080 0 1217 DPE 11 DPPE H12B HAL2 0.090000 1.0080 0 1218 DPE 11 DPPE C11 CTL2 -0.080000 12.0110 0 1219 DPE 11 DPPE H11A HAL2 0.090000 1.0080 0 1220 DPE 11 DPPE H11B HAL2 0.090000 1.0080 0 1221 DPE 11 DPPE P PL 1.500000 30.9740 0 1222 DPE 11 DPPE O13 O2L -0.780000 15.9994 0 1223 DPE 11 DPPE O14 O2L -0.780000 15.9994 0 1224 DPE 11 DPPE O11 OSL -0.570000 15.9994 0 1225 DPE 11 DPPE O12 OSL -0.570000 15.9994 0 1226 DPE 11 DPPE C1 CTL2 -0.080000 12.0110 0 1227 DPE 11 DPPE HA HAL2 0.090000 1.0080 0 1228 DPE 11 DPPE HB HAL2 0.090000 1.0080 0 1229 DPE 11 DPPE C2 CTL1 0.040000 12.0110 0 1230 DPE 11 DPPE HS HAL1 0.090000 1.0080 0 1231 DPE 11 DPPE O21 OSL -0.340000 15.9994 0 1232 DPE 11 DPPE C21 CL 0.630000 12.0110 0 1233 DPE 11 DPPE O22 OBL -0.520000 15.9994 0 1234 DPE 11 DPPE C22 CTL2 -0.080000 12.0110 0 1235 DPE 11 DPPE H2R HAL2 0.090000 1.0080 0 1236 DPE 11 DPPE H2S HAL2 0.090000 1.0080 0 1237 DPE 11 DPPE C3 CTL2 -0.050000 12.0110 0 1238 DPE 11 DPPE HX HAL2 0.090000 1.0080 0 1239 DPE 11 DPPE HY HAL2 0.090000 1.0080 0 1240 DPE 11 DPPE O31 OSL -0.340000 15.9994 0 1241 DPE 11 DPPE C31 CL 0.630000 12.0110 0 1242 DPE 11 DPPE O32 OBL -0.520000 15.9994 0 1243 DPE 11 DPPE C32 CTL2 -0.080000 12.0110 0 1244 DPE 11 DPPE H2X HAL2 0.090000 1.0080 0 1245 DPE 11 DPPE H2Y HAL2 0.090000 1.0080 0 1246 DPE 11 DPPE C23 CTL2 -0.180000 12.0110 0 1247 DPE 11 DPPE H3R HAL2 0.090000 1.0080 0 1248 DPE 11 DPPE H3S HAL2 0.090000 1.0080 0 1249 DPE 11 DPPE C24 CTL2 -0.180000 12.0110 0 1250 DPE 11 DPPE H4R HAL2 0.090000 1.0080 0 1251 DPE 11 DPPE H4S HAL2 0.090000 1.0080 0 1252 DPE 11 DPPE C25 CTL2 -0.180000 12.0110 0 1253 DPE 11 DPPE H5R HAL2 0.090000 1.0080 0 1254 DPE 11 DPPE H5S HAL2 0.090000 1.0080 0 1255 DPE 11 DPPE C26 CTL2 -0.180000 12.0110 0 1256 DPE 11 DPPE H6R HAL2 0.090000 1.0080 0 1257 DPE 11 DPPE H6S HAL2 0.090000 1.0080 0 1258 DPE 11 DPPE C27 CTL2 -0.180000 12.0110 0 1259 DPE 11 DPPE H7R HAL2 0.090000 1.0080 0 1260 DPE 11 DPPE H7S HAL2 0.090000 1.0080 0 1261 DPE 11 DPPE C28 CTL2 -0.180000 12.0110 0 1262 DPE 11 DPPE H8R HAL2 0.090000 1.0080 0 1263 DPE 11 DPPE H8S HAL2 0.090000 1.0080 0 1264 DPE 11 DPPE C29 CTL2 -0.180000 12.0110 0 1265 DPE 11 DPPE H9R HAL2 0.090000 1.0080 0 1266 DPE 11 DPPE H9S HAL2 0.090000 1.0080 0 1267 DPE 11 DPPE C210 CTL2 -0.180000 12.0110 0 1268 DPE 11 DPPE H10R HAL2 0.090000 1.0080 0 1269 DPE 11 DPPE H10S HAL2 0.090000 1.0080 0 1270 DPE 11 DPPE C211 CTL2 -0.180000 12.0110 0 1271 DPE 11 DPPE H11R HAL2 0.090000 1.0080 0 1272 DPE 11 DPPE H11S HAL2 0.090000 1.0080 0 1273 DPE 11 DPPE C212 CTL2 -0.180000 12.0110 0 1274 DPE 11 DPPE H12R HAL2 0.090000 1.0080 0 1275 DPE 11 DPPE H12S HAL2 0.090000 1.0080 0 1276 DPE 11 DPPE C213 CTL2 -0.180000 12.0110 0 1277 DPE 11 DPPE H13R HAL2 0.090000 1.0080 0 1278 DPE 11 DPPE H13S HAL2 0.090000 1.0080 0 1279 DPE 11 DPPE C214 CTL2 -0.180000 12.0110 0 1280 DPE 11 DPPE H14R HAL2 0.090000 1.0080 0 1281 DPE 11 DPPE H14S HAL2 0.090000 1.0080 0 1282 DPE 11 DPPE C215 CTL2 -0.180000 12.0110 0 1283 DPE 11 DPPE H15R HAL2 0.090000 1.0080 0 1284 DPE 11 DPPE H15S HAL2 0.090000 1.0080 0 1285 DPE 11 DPPE C216 CTL3 -0.270000 12.0110 0 1286 DPE 11 DPPE H16R HAL3 0.090000 1.0080 0 1287 DPE 11 DPPE H16S HAL3 0.090000 1.0080 0 1288 DPE 11 DPPE H16T HAL3 0.090000 1.0080 0 1289 DPE 11 DPPE C33 CTL2 -0.180000 12.0110 0 1290 DPE 11 DPPE H3X HAL2 0.090000 1.0080 0 1291 DPE 11 DPPE H3Y HAL2 0.090000 1.0080 0 1292 DPE 11 DPPE C34 CTL2 -0.180000 12.0110 0 1293 DPE 11 DPPE H4X HAL2 0.090000 1.0080 0 1294 DPE 11 DPPE H4Y HAL2 0.090000 1.0080 0 1295 DPE 11 DPPE C35 CTL2 -0.180000 12.0110 0 1296 DPE 11 DPPE H5X HAL2 0.090000 1.0080 0 1297 DPE 11 DPPE H5Y HAL2 0.090000 1.0080 0 1298 DPE 11 DPPE C36 CTL2 -0.180000 12.0110 0 1299 DPE 11 DPPE H6X HAL2 0.090000 1.0080 0 1300 DPE 11 DPPE H6Y HAL2 0.090000 1.0080 0 1301 DPE 11 DPPE C37 CTL2 -0.180000 12.0110 0 1302 DPE 11 DPPE H7X HAL2 0.090000 1.0080 0 1303 DPE 11 DPPE H7Y HAL2 0.090000 1.0080 0 1304 DPE 11 DPPE C38 CTL2 -0.180000 12.0110 0 1305 DPE 11 DPPE H8X HAL2 0.090000 1.0080 0 1306 DPE 11 DPPE H8Y HAL2 0.090000 1.0080 0 1307 DPE 11 DPPE C39 CTL2 -0.180000 12.0110 0 1308 DPE 11 DPPE H9X HAL2 0.090000 1.0080 0 1309 DPE 11 DPPE H9Y HAL2 0.090000 1.0080 0 1310 DPE 11 DPPE C310 CTL2 -0.180000 12.0110 0 1311 DPE 11 DPPE H10X HAL2 0.090000 1.0080 0 1312 DPE 11 DPPE H10Y HAL2 0.090000 1.0080 0 1313 DPE 11 DPPE C311 CTL2 -0.180000 12.0110 0 1314 DPE 11 DPPE H11X HAL2 0.090000 1.0080 0 1315 DPE 11 DPPE H11Y HAL2 0.090000 1.0080 0 1316 DPE 11 DPPE C312 CTL2 -0.180000 12.0110 0 1317 DPE 11 DPPE H12X HAL2 0.090000 1.0080 0 1318 DPE 11 DPPE H12Y HAL2 0.090000 1.0080 0 1319 DPE 11 DPPE C313 CTL2 -0.180000 12.0110 0 1320 DPE 11 DPPE H13X HAL2 0.090000 1.0080 0 1321 DPE 11 DPPE H13Y HAL2 0.090000 1.0080 0 1322 DPE 11 DPPE C314 CTL2 -0.180000 12.0110 0 1323 DPE 11 DPPE H14X HAL2 0.090000 1.0080 0 1324 DPE 11 DPPE H14Y HAL2 0.090000 1.0080 0 1325 DPE 11 DPPE C315 CTL2 -0.180000 12.0110 0 1326 DPE 11 DPPE H15X HAL2 0.090000 1.0080 0 1327 DPE 11 DPPE H15Y HAL2 0.090000 1.0080 0 1328 DPE 11 DPPE C316 CTL3 -0.270000 12.0110 0 1329 DPE 11 DPPE H16X HAL3 0.090000 1.0080 0 1330 DPE 11 DPPE H16Y HAL3 0.090000 1.0080 0 1331 DPE 11 DPPE H16Z HAL3 0.090000 1.0080 0 1332 DPE 12 DPPE N NH3L -0.300000 14.0070 0 1333 DPE 12 DPPE HN1 HCL 0.330000 1.0080 0 1334 DPE 12 DPPE HN2 HCL 0.330000 1.0080 0 1335 DPE 12 DPPE HN3 HCL 0.330000 1.0080 0 1336 DPE 12 DPPE C12 CTL2 0.130000 12.0110 0 1337 DPE 12 DPPE H12A HAL2 0.090000 1.0080 0 1338 DPE 12 DPPE H12B HAL2 0.090000 1.0080 0 1339 DPE 12 DPPE C11 CTL2 -0.080000 12.0110 0 1340 DPE 12 DPPE H11A HAL2 0.090000 1.0080 0 1341 DPE 12 DPPE H11B HAL2 0.090000 1.0080 0 1342 DPE 12 DPPE P PL 1.500000 30.9740 0 1343 DPE 12 DPPE O13 O2L -0.780000 15.9994 0 1344 DPE 12 DPPE O14 O2L -0.780000 15.9994 0 1345 DPE 12 DPPE O11 OSL -0.570000 15.9994 0 1346 DPE 12 DPPE O12 OSL -0.570000 15.9994 0 1347 DPE 12 DPPE C1 CTL2 -0.080000 12.0110 0 1348 DPE 12 DPPE HA HAL2 0.090000 1.0080 0 1349 DPE 12 DPPE HB HAL2 0.090000 1.0080 0 1350 DPE 12 DPPE C2 CTL1 0.040000 12.0110 0 1351 DPE 12 DPPE HS HAL1 0.090000 1.0080 0 1352 DPE 12 DPPE O21 OSL -0.340000 15.9994 0 1353 DPE 12 DPPE C21 CL 0.630000 12.0110 0 1354 DPE 12 DPPE O22 OBL -0.520000 15.9994 0 1355 DPE 12 DPPE C22 CTL2 -0.080000 12.0110 0 1356 DPE 12 DPPE H2R HAL2 0.090000 1.0080 0 1357 DPE 12 DPPE H2S HAL2 0.090000 1.0080 0 1358 DPE 12 DPPE C3 CTL2 -0.050000 12.0110 0 1359 DPE 12 DPPE HX HAL2 0.090000 1.0080 0 1360 DPE 12 DPPE HY HAL2 0.090000 1.0080 0 1361 DPE 12 DPPE O31 OSL -0.340000 15.9994 0 1362 DPE 12 DPPE C31 CL 0.630000 12.0110 0 1363 DPE 12 DPPE O32 OBL -0.520000 15.9994 0 1364 DPE 12 DPPE C32 CTL2 -0.080000 12.0110 0 1365 DPE 12 DPPE H2X HAL2 0.090000 1.0080 0 1366 DPE 12 DPPE H2Y HAL2 0.090000 1.0080 0 1367 DPE 12 DPPE C23 CTL2 -0.180000 12.0110 0 1368 DPE 12 DPPE H3R HAL2 0.090000 1.0080 0 1369 DPE 12 DPPE H3S HAL2 0.090000 1.0080 0 1370 DPE 12 DPPE C24 CTL2 -0.180000 12.0110 0 1371 DPE 12 DPPE H4R HAL2 0.090000 1.0080 0 1372 DPE 12 DPPE H4S HAL2 0.090000 1.0080 0 1373 DPE 12 DPPE C25 CTL2 -0.180000 12.0110 0 1374 DPE 12 DPPE H5R HAL2 0.090000 1.0080 0 1375 DPE 12 DPPE H5S HAL2 0.090000 1.0080 0 1376 DPE 12 DPPE C26 CTL2 -0.180000 12.0110 0 1377 DPE 12 DPPE H6R HAL2 0.090000 1.0080 0 1378 DPE 12 DPPE H6S HAL2 0.090000 1.0080 0 1379 DPE 12 DPPE C27 CTL2 -0.180000 12.0110 0 1380 DPE 12 DPPE H7R HAL2 0.090000 1.0080 0 1381 DPE 12 DPPE H7S HAL2 0.090000 1.0080 0 1382 DPE 12 DPPE C28 CTL2 -0.180000 12.0110 0 1383 DPE 12 DPPE H8R HAL2 0.090000 1.0080 0 1384 DPE 12 DPPE H8S HAL2 0.090000 1.0080 0 1385 DPE 12 DPPE C29 CTL2 -0.180000 12.0110 0 1386 DPE 12 DPPE H9R HAL2 0.090000 1.0080 0 1387 DPE 12 DPPE H9S HAL2 0.090000 1.0080 0 1388 DPE 12 DPPE C210 CTL2 -0.180000 12.0110 0 1389 DPE 12 DPPE H10R HAL2 0.090000 1.0080 0 1390 DPE 12 DPPE H10S HAL2 0.090000 1.0080 0 1391 DPE 12 DPPE C211 CTL2 -0.180000 12.0110 0 1392 DPE 12 DPPE H11R HAL2 0.090000 1.0080 0 1393 DPE 12 DPPE H11S HAL2 0.090000 1.0080 0 1394 DPE 12 DPPE C212 CTL2 -0.180000 12.0110 0 1395 DPE 12 DPPE H12R HAL2 0.090000 1.0080 0 1396 DPE 12 DPPE H12S HAL2 0.090000 1.0080 0 1397 DPE 12 DPPE C213 CTL2 -0.180000 12.0110 0 1398 DPE 12 DPPE H13R HAL2 0.090000 1.0080 0 1399 DPE 12 DPPE H13S HAL2 0.090000 1.0080 0 1400 DPE 12 DPPE C214 CTL2 -0.180000 12.0110 0 1401 DPE 12 DPPE H14R HAL2 0.090000 1.0080 0 1402 DPE 12 DPPE H14S HAL2 0.090000 1.0080 0 1403 DPE 12 DPPE C215 CTL2 -0.180000 12.0110 0 1404 DPE 12 DPPE H15R HAL2 0.090000 1.0080 0 1405 DPE 12 DPPE H15S HAL2 0.090000 1.0080 0 1406 DPE 12 DPPE C216 CTL3 -0.270000 12.0110 0 1407 DPE 12 DPPE H16R HAL3 0.090000 1.0080 0 1408 DPE 12 DPPE H16S HAL3 0.090000 1.0080 0 1409 DPE 12 DPPE H16T HAL3 0.090000 1.0080 0 1410 DPE 12 DPPE C33 CTL2 -0.180000 12.0110 0 1411 DPE 12 DPPE H3X HAL2 0.090000 1.0080 0 1412 DPE 12 DPPE H3Y HAL2 0.090000 1.0080 0 1413 DPE 12 DPPE C34 CTL2 -0.180000 12.0110 0 1414 DPE 12 DPPE H4X HAL2 0.090000 1.0080 0 1415 DPE 12 DPPE H4Y HAL2 0.090000 1.0080 0 1416 DPE 12 DPPE C35 CTL2 -0.180000 12.0110 0 1417 DPE 12 DPPE H5X HAL2 0.090000 1.0080 0 1418 DPE 12 DPPE H5Y HAL2 0.090000 1.0080 0 1419 DPE 12 DPPE C36 CTL2 -0.180000 12.0110 0 1420 DPE 12 DPPE H6X HAL2 0.090000 1.0080 0 1421 DPE 12 DPPE H6Y HAL2 0.090000 1.0080 0 1422 DPE 12 DPPE C37 CTL2 -0.180000 12.0110 0 1423 DPE 12 DPPE H7X HAL2 0.090000 1.0080 0 1424 DPE 12 DPPE H7Y HAL2 0.090000 1.0080 0 1425 DPE 12 DPPE C38 CTL2 -0.180000 12.0110 0 1426 DPE 12 DPPE H8X HAL2 0.090000 1.0080 0 1427 DPE 12 DPPE H8Y HAL2 0.090000 1.0080 0 1428 DPE 12 DPPE C39 CTL2 -0.180000 12.0110 0 1429 DPE 12 DPPE H9X HAL2 0.090000 1.0080 0 1430 DPE 12 DPPE H9Y HAL2 0.090000 1.0080 0 1431 DPE 12 DPPE C310 CTL2 -0.180000 12.0110 0 1432 DPE 12 DPPE H10X HAL2 0.090000 1.0080 0 1433 DPE 12 DPPE H10Y HAL2 0.090000 1.0080 0 1434 DPE 12 DPPE C311 CTL2 -0.180000 12.0110 0 1435 DPE 12 DPPE H11X HAL2 0.090000 1.0080 0 1436 DPE 12 DPPE H11Y HAL2 0.090000 1.0080 0 1437 DPE 12 DPPE C312 CTL2 -0.180000 12.0110 0 1438 DPE 12 DPPE H12X HAL2 0.090000 1.0080 0 1439 DPE 12 DPPE H12Y HAL2 0.090000 1.0080 0 1440 DPE 12 DPPE C313 CTL2 -0.180000 12.0110 0 1441 DPE 12 DPPE H13X HAL2 0.090000 1.0080 0 1442 DPE 12 DPPE H13Y HAL2 0.090000 1.0080 0 1443 DPE 12 DPPE C314 CTL2 -0.180000 12.0110 0 1444 DPE 12 DPPE H14X HAL2 0.090000 1.0080 0 1445 DPE 12 DPPE H14Y HAL2 0.090000 1.0080 0 1446 DPE 12 DPPE C315 CTL2 -0.180000 12.0110 0 1447 DPE 12 DPPE H15X HAL2 0.090000 1.0080 0 1448 DPE 12 DPPE H15Y HAL2 0.090000 1.0080 0 1449 DPE 12 DPPE C316 CTL3 -0.270000 12.0110 0 1450 DPE 12 DPPE H16X HAL3 0.090000 1.0080 0 1451 DPE 12 DPPE H16Y HAL3 0.090000 1.0080 0 1452 DPE 12 DPPE H16Z HAL3 0.090000 1.0080 0 1453 DPE 13 DPPE N NH3L -0.300000 14.0070 0 1454 DPE 13 DPPE HN1 HCL 0.330000 1.0080 0 1455 DPE 13 DPPE HN2 HCL 0.330000 1.0080 0 1456 DPE 13 DPPE HN3 HCL 0.330000 1.0080 0 1457 DPE 13 DPPE C12 CTL2 0.130000 12.0110 0 1458 DPE 13 DPPE H12A HAL2 0.090000 1.0080 0 1459 DPE 13 DPPE H12B HAL2 0.090000 1.0080 0 1460 DPE 13 DPPE C11 CTL2 -0.080000 12.0110 0 1461 DPE 13 DPPE H11A HAL2 0.090000 1.0080 0 1462 DPE 13 DPPE H11B HAL2 0.090000 1.0080 0 1463 DPE 13 DPPE P PL 1.500000 30.9740 0 1464 DPE 13 DPPE O13 O2L -0.780000 15.9994 0 1465 DPE 13 DPPE O14 O2L -0.780000 15.9994 0 1466 DPE 13 DPPE O11 OSL -0.570000 15.9994 0 1467 DPE 13 DPPE O12 OSL -0.570000 15.9994 0 1468 DPE 13 DPPE C1 CTL2 -0.080000 12.0110 0 1469 DPE 13 DPPE HA HAL2 0.090000 1.0080 0 1470 DPE 13 DPPE HB HAL2 0.090000 1.0080 0 1471 DPE 13 DPPE C2 CTL1 0.040000 12.0110 0 1472 DPE 13 DPPE HS HAL1 0.090000 1.0080 0 1473 DPE 13 DPPE O21 OSL -0.340000 15.9994 0 1474 DPE 13 DPPE C21 CL 0.630000 12.0110 0 1475 DPE 13 DPPE O22 OBL -0.520000 15.9994 0 1476 DPE 13 DPPE C22 CTL2 -0.080000 12.0110 0 1477 DPE 13 DPPE H2R HAL2 0.090000 1.0080 0 1478 DPE 13 DPPE H2S HAL2 0.090000 1.0080 0 1479 DPE 13 DPPE C3 CTL2 -0.050000 12.0110 0 1480 DPE 13 DPPE HX HAL2 0.090000 1.0080 0 1481 DPE 13 DPPE HY HAL2 0.090000 1.0080 0 1482 DPE 13 DPPE O31 OSL -0.340000 15.9994 0 1483 DPE 13 DPPE C31 CL 0.630000 12.0110 0 1484 DPE 13 DPPE O32 OBL -0.520000 15.9994 0 1485 DPE 13 DPPE C32 CTL2 -0.080000 12.0110 0 1486 DPE 13 DPPE H2X HAL2 0.090000 1.0080 0 1487 DPE 13 DPPE H2Y HAL2 0.090000 1.0080 0 1488 DPE 13 DPPE C23 CTL2 -0.180000 12.0110 0 1489 DPE 13 DPPE H3R HAL2 0.090000 1.0080 0 1490 DPE 13 DPPE H3S HAL2 0.090000 1.0080 0 1491 DPE 13 DPPE C24 CTL2 -0.180000 12.0110 0 1492 DPE 13 DPPE H4R HAL2 0.090000 1.0080 0 1493 DPE 13 DPPE H4S HAL2 0.090000 1.0080 0 1494 DPE 13 DPPE C25 CTL2 -0.180000 12.0110 0 1495 DPE 13 DPPE H5R HAL2 0.090000 1.0080 0 1496 DPE 13 DPPE H5S HAL2 0.090000 1.0080 0 1497 DPE 13 DPPE C26 CTL2 -0.180000 12.0110 0 1498 DPE 13 DPPE H6R HAL2 0.090000 1.0080 0 1499 DPE 13 DPPE H6S HAL2 0.090000 1.0080 0 1500 DPE 13 DPPE C27 CTL2 -0.180000 12.0110 0 1501 DPE 13 DPPE H7R HAL2 0.090000 1.0080 0 1502 DPE 13 DPPE H7S HAL2 0.090000 1.0080 0 1503 DPE 13 DPPE C28 CTL2 -0.180000 12.0110 0 1504 DPE 13 DPPE H8R HAL2 0.090000 1.0080 0 1505 DPE 13 DPPE H8S HAL2 0.090000 1.0080 0 1506 DPE 13 DPPE C29 CTL2 -0.180000 12.0110 0 1507 DPE 13 DPPE H9R HAL2 0.090000 1.0080 0 1508 DPE 13 DPPE H9S HAL2 0.090000 1.0080 0 1509 DPE 13 DPPE C210 CTL2 -0.180000 12.0110 0 1510 DPE 13 DPPE H10R HAL2 0.090000 1.0080 0 1511 DPE 13 DPPE H10S HAL2 0.090000 1.0080 0 1512 DPE 13 DPPE C211 CTL2 -0.180000 12.0110 0 1513 DPE 13 DPPE H11R HAL2 0.090000 1.0080 0 1514 DPE 13 DPPE H11S HAL2 0.090000 1.0080 0 1515 DPE 13 DPPE C212 CTL2 -0.180000 12.0110 0 1516 DPE 13 DPPE H12R HAL2 0.090000 1.0080 0 1517 DPE 13 DPPE H12S HAL2 0.090000 1.0080 0 1518 DPE 13 DPPE C213 CTL2 -0.180000 12.0110 0 1519 DPE 13 DPPE H13R HAL2 0.090000 1.0080 0 1520 DPE 13 DPPE H13S HAL2 0.090000 1.0080 0 1521 DPE 13 DPPE C214 CTL2 -0.180000 12.0110 0 1522 DPE 13 DPPE H14R HAL2 0.090000 1.0080 0 1523 DPE 13 DPPE H14S HAL2 0.090000 1.0080 0 1524 DPE 13 DPPE C215 CTL2 -0.180000 12.0110 0 1525 DPE 13 DPPE H15R HAL2 0.090000 1.0080 0 1526 DPE 13 DPPE H15S HAL2 0.090000 1.0080 0 1527 DPE 13 DPPE C216 CTL3 -0.270000 12.0110 0 1528 DPE 13 DPPE H16R HAL3 0.090000 1.0080 0 1529 DPE 13 DPPE H16S HAL3 0.090000 1.0080 0 1530 DPE 13 DPPE H16T HAL3 0.090000 1.0080 0 1531 DPE 13 DPPE C33 CTL2 -0.180000 12.0110 0 1532 DPE 13 DPPE H3X HAL2 0.090000 1.0080 0 1533 DPE 13 DPPE H3Y HAL2 0.090000 1.0080 0 1534 DPE 13 DPPE C34 CTL2 -0.180000 12.0110 0 1535 DPE 13 DPPE H4X HAL2 0.090000 1.0080 0 1536 DPE 13 DPPE H4Y HAL2 0.090000 1.0080 0 1537 DPE 13 DPPE C35 CTL2 -0.180000 12.0110 0 1538 DPE 13 DPPE H5X HAL2 0.090000 1.0080 0 1539 DPE 13 DPPE H5Y HAL2 0.090000 1.0080 0 1540 DPE 13 DPPE C36 CTL2 -0.180000 12.0110 0 1541 DPE 13 DPPE H6X HAL2 0.090000 1.0080 0 1542 DPE 13 DPPE H6Y HAL2 0.090000 1.0080 0 1543 DPE 13 DPPE C37 CTL2 -0.180000 12.0110 0 1544 DPE 13 DPPE H7X HAL2 0.090000 1.0080 0 1545 DPE 13 DPPE H7Y HAL2 0.090000 1.0080 0 1546 DPE 13 DPPE C38 CTL2 -0.180000 12.0110 0 1547 DPE 13 DPPE H8X HAL2 0.090000 1.0080 0 1548 DPE 13 DPPE H8Y HAL2 0.090000 1.0080 0 1549 DPE 13 DPPE C39 CTL2 -0.180000 12.0110 0 1550 DPE 13 DPPE H9X HAL2 0.090000 1.0080 0 1551 DPE 13 DPPE H9Y HAL2 0.090000 1.0080 0 1552 DPE 13 DPPE C310 CTL2 -0.180000 12.0110 0 1553 DPE 13 DPPE H10X HAL2 0.090000 1.0080 0 1554 DPE 13 DPPE H10Y HAL2 0.090000 1.0080 0 1555 DPE 13 DPPE C311 CTL2 -0.180000 12.0110 0 1556 DPE 13 DPPE H11X HAL2 0.090000 1.0080 0 1557 DPE 13 DPPE H11Y HAL2 0.090000 1.0080 0 1558 DPE 13 DPPE C312 CTL2 -0.180000 12.0110 0 1559 DPE 13 DPPE H12X HAL2 0.090000 1.0080 0 1560 DPE 13 DPPE H12Y HAL2 0.090000 1.0080 0 1561 DPE 13 DPPE C313 CTL2 -0.180000 12.0110 0 1562 DPE 13 DPPE H13X HAL2 0.090000 1.0080 0 1563 DPE 13 DPPE H13Y HAL2 0.090000 1.0080 0 1564 DPE 13 DPPE C314 CTL2 -0.180000 12.0110 0 1565 DPE 13 DPPE H14X HAL2 0.090000 1.0080 0 1566 DPE 13 DPPE H14Y HAL2 0.090000 1.0080 0 1567 DPE 13 DPPE C315 CTL2 -0.180000 12.0110 0 1568 DPE 13 DPPE H15X HAL2 0.090000 1.0080 0 1569 DPE 13 DPPE H15Y HAL2 0.090000 1.0080 0 1570 DPE 13 DPPE C316 CTL3 -0.270000 12.0110 0 1571 DPE 13 DPPE H16X HAL3 0.090000 1.0080 0 1572 DPE 13 DPPE H16Y HAL3 0.090000 1.0080 0 1573 DPE 13 DPPE H16Z HAL3 0.090000 1.0080 0 1574 DPE 14 DPPE N NH3L -0.300000 14.0070 0 1575 DPE 14 DPPE HN1 HCL 0.330000 1.0080 0 1576 DPE 14 DPPE HN2 HCL 0.330000 1.0080 0 1577 DPE 14 DPPE HN3 HCL 0.330000 1.0080 0 1578 DPE 14 DPPE C12 CTL2 0.130000 12.0110 0 1579 DPE 14 DPPE H12A HAL2 0.090000 1.0080 0 1580 DPE 14 DPPE H12B HAL2 0.090000 1.0080 0 1581 DPE 14 DPPE C11 CTL2 -0.080000 12.0110 0 1582 DPE 14 DPPE H11A HAL2 0.090000 1.0080 0 1583 DPE 14 DPPE H11B HAL2 0.090000 1.0080 0 1584 DPE 14 DPPE P PL 1.500000 30.9740 0 1585 DPE 14 DPPE O13 O2L -0.780000 15.9994 0 1586 DPE 14 DPPE O14 O2L -0.780000 15.9994 0 1587 DPE 14 DPPE O11 OSL -0.570000 15.9994 0 1588 DPE 14 DPPE O12 OSL -0.570000 15.9994 0 1589 DPE 14 DPPE C1 CTL2 -0.080000 12.0110 0 1590 DPE 14 DPPE HA HAL2 0.090000 1.0080 0 1591 DPE 14 DPPE HB HAL2 0.090000 1.0080 0 1592 DPE 14 DPPE C2 CTL1 0.040000 12.0110 0 1593 DPE 14 DPPE HS HAL1 0.090000 1.0080 0 1594 DPE 14 DPPE O21 OSL -0.340000 15.9994 0 1595 DPE 14 DPPE C21 CL 0.630000 12.0110 0 1596 DPE 14 DPPE O22 OBL -0.520000 15.9994 0 1597 DPE 14 DPPE C22 CTL2 -0.080000 12.0110 0 1598 DPE 14 DPPE H2R HAL2 0.090000 1.0080 0 1599 DPE 14 DPPE H2S HAL2 0.090000 1.0080 0 1600 DPE 14 DPPE C3 CTL2 -0.050000 12.0110 0 1601 DPE 14 DPPE HX HAL2 0.090000 1.0080 0 1602 DPE 14 DPPE HY HAL2 0.090000 1.0080 0 1603 DPE 14 DPPE O31 OSL -0.340000 15.9994 0 1604 DPE 14 DPPE C31 CL 0.630000 12.0110 0 1605 DPE 14 DPPE O32 OBL -0.520000 15.9994 0 1606 DPE 14 DPPE C32 CTL2 -0.080000 12.0110 0 1607 DPE 14 DPPE H2X HAL2 0.090000 1.0080 0 1608 DPE 14 DPPE H2Y HAL2 0.090000 1.0080 0 1609 DPE 14 DPPE C23 CTL2 -0.180000 12.0110 0 1610 DPE 14 DPPE H3R HAL2 0.090000 1.0080 0 1611 DPE 14 DPPE H3S HAL2 0.090000 1.0080 0 1612 DPE 14 DPPE C24 CTL2 -0.180000 12.0110 0 1613 DPE 14 DPPE H4R HAL2 0.090000 1.0080 0 1614 DPE 14 DPPE H4S HAL2 0.090000 1.0080 0 1615 DPE 14 DPPE C25 CTL2 -0.180000 12.0110 0 1616 DPE 14 DPPE H5R HAL2 0.090000 1.0080 0 1617 DPE 14 DPPE H5S HAL2 0.090000 1.0080 0 1618 DPE 14 DPPE C26 CTL2 -0.180000 12.0110 0 1619 DPE 14 DPPE H6R HAL2 0.090000 1.0080 0 1620 DPE 14 DPPE H6S HAL2 0.090000 1.0080 0 1621 DPE 14 DPPE C27 CTL2 -0.180000 12.0110 0 1622 DPE 14 DPPE H7R HAL2 0.090000 1.0080 0 1623 DPE 14 DPPE H7S HAL2 0.090000 1.0080 0 1624 DPE 14 DPPE C28 CTL2 -0.180000 12.0110 0 1625 DPE 14 DPPE H8R HAL2 0.090000 1.0080 0 1626 DPE 14 DPPE H8S HAL2 0.090000 1.0080 0 1627 DPE 14 DPPE C29 CTL2 -0.180000 12.0110 0 1628 DPE 14 DPPE H9R HAL2 0.090000 1.0080 0 1629 DPE 14 DPPE H9S HAL2 0.090000 1.0080 0 1630 DPE 14 DPPE C210 CTL2 -0.180000 12.0110 0 1631 DPE 14 DPPE H10R HAL2 0.090000 1.0080 0 1632 DPE 14 DPPE H10S HAL2 0.090000 1.0080 0 1633 DPE 14 DPPE C211 CTL2 -0.180000 12.0110 0 1634 DPE 14 DPPE H11R HAL2 0.090000 1.0080 0 1635 DPE 14 DPPE H11S HAL2 0.090000 1.0080 0 1636 DPE 14 DPPE C212 CTL2 -0.180000 12.0110 0 1637 DPE 14 DPPE H12R HAL2 0.090000 1.0080 0 1638 DPE 14 DPPE H12S HAL2 0.090000 1.0080 0 1639 DPE 14 DPPE C213 CTL2 -0.180000 12.0110 0 1640 DPE 14 DPPE H13R HAL2 0.090000 1.0080 0 1641 DPE 14 DPPE H13S HAL2 0.090000 1.0080 0 1642 DPE 14 DPPE C214 CTL2 -0.180000 12.0110 0 1643 DPE 14 DPPE H14R HAL2 0.090000 1.0080 0 1644 DPE 14 DPPE H14S HAL2 0.090000 1.0080 0 1645 DPE 14 DPPE C215 CTL2 -0.180000 12.0110 0 1646 DPE 14 DPPE H15R HAL2 0.090000 1.0080 0 1647 DPE 14 DPPE H15S HAL2 0.090000 1.0080 0 1648 DPE 14 DPPE C216 CTL3 -0.270000 12.0110 0 1649 DPE 14 DPPE H16R HAL3 0.090000 1.0080 0 1650 DPE 14 DPPE H16S HAL3 0.090000 1.0080 0 1651 DPE 14 DPPE H16T HAL3 0.090000 1.0080 0 1652 DPE 14 DPPE C33 CTL2 -0.180000 12.0110 0 1653 DPE 14 DPPE H3X HAL2 0.090000 1.0080 0 1654 DPE 14 DPPE H3Y HAL2 0.090000 1.0080 0 1655 DPE 14 DPPE C34 CTL2 -0.180000 12.0110 0 1656 DPE 14 DPPE H4X HAL2 0.090000 1.0080 0 1657 DPE 14 DPPE H4Y HAL2 0.090000 1.0080 0 1658 DPE 14 DPPE C35 CTL2 -0.180000 12.0110 0 1659 DPE 14 DPPE H5X HAL2 0.090000 1.0080 0 1660 DPE 14 DPPE H5Y HAL2 0.090000 1.0080 0 1661 DPE 14 DPPE C36 CTL2 -0.180000 12.0110 0 1662 DPE 14 DPPE H6X HAL2 0.090000 1.0080 0 1663 DPE 14 DPPE H6Y HAL2 0.090000 1.0080 0 1664 DPE 14 DPPE C37 CTL2 -0.180000 12.0110 0 1665 DPE 14 DPPE H7X HAL2 0.090000 1.0080 0 1666 DPE 14 DPPE H7Y HAL2 0.090000 1.0080 0 1667 DPE 14 DPPE C38 CTL2 -0.180000 12.0110 0 1668 DPE 14 DPPE H8X HAL2 0.090000 1.0080 0 1669 DPE 14 DPPE H8Y HAL2 0.090000 1.0080 0 1670 DPE 14 DPPE C39 CTL2 -0.180000 12.0110 0 1671 DPE 14 DPPE H9X HAL2 0.090000 1.0080 0 1672 DPE 14 DPPE H9Y HAL2 0.090000 1.0080 0 1673 DPE 14 DPPE C310 CTL2 -0.180000 12.0110 0 1674 DPE 14 DPPE H10X HAL2 0.090000 1.0080 0 1675 DPE 14 DPPE H10Y HAL2 0.090000 1.0080 0 1676 DPE 14 DPPE C311 CTL2 -0.180000 12.0110 0 1677 DPE 14 DPPE H11X HAL2 0.090000 1.0080 0 1678 DPE 14 DPPE H11Y HAL2 0.090000 1.0080 0 1679 DPE 14 DPPE C312 CTL2 -0.180000 12.0110 0 1680 DPE 14 DPPE H12X HAL2 0.090000 1.0080 0 1681 DPE 14 DPPE H12Y HAL2 0.090000 1.0080 0 1682 DPE 14 DPPE C313 CTL2 -0.180000 12.0110 0 1683 DPE 14 DPPE H13X HAL2 0.090000 1.0080 0 1684 DPE 14 DPPE H13Y HAL2 0.090000 1.0080 0 1685 DPE 14 DPPE C314 CTL2 -0.180000 12.0110 0 1686 DPE 14 DPPE H14X HAL2 0.090000 1.0080 0 1687 DPE 14 DPPE H14Y HAL2 0.090000 1.0080 0 1688 DPE 14 DPPE C315 CTL2 -0.180000 12.0110 0 1689 DPE 14 DPPE H15X HAL2 0.090000 1.0080 0 1690 DPE 14 DPPE H15Y HAL2 0.090000 1.0080 0 1691 DPE 14 DPPE C316 CTL3 -0.270000 12.0110 0 1692 DPE 14 DPPE H16X HAL3 0.090000 1.0080 0 1693 DPE 14 DPPE H16Y HAL3 0.090000 1.0080 0 1694 DPE 14 DPPE H16Z HAL3 0.090000 1.0080 0 1695 DPE 15 DPPE N NH3L -0.300000 14.0070 0 1696 DPE 15 DPPE HN1 HCL 0.330000 1.0080 0 1697 DPE 15 DPPE HN2 HCL 0.330000 1.0080 0 1698 DPE 15 DPPE HN3 HCL 0.330000 1.0080 0 1699 DPE 15 DPPE C12 CTL2 0.130000 12.0110 0 1700 DPE 15 DPPE H12A HAL2 0.090000 1.0080 0 1701 DPE 15 DPPE H12B HAL2 0.090000 1.0080 0 1702 DPE 15 DPPE C11 CTL2 -0.080000 12.0110 0 1703 DPE 15 DPPE H11A HAL2 0.090000 1.0080 0 1704 DPE 15 DPPE H11B HAL2 0.090000 1.0080 0 1705 DPE 15 DPPE P PL 1.500000 30.9740 0 1706 DPE 15 DPPE O13 O2L -0.780000 15.9994 0 1707 DPE 15 DPPE O14 O2L -0.780000 15.9994 0 1708 DPE 15 DPPE O11 OSL -0.570000 15.9994 0 1709 DPE 15 DPPE O12 OSL -0.570000 15.9994 0 1710 DPE 15 DPPE C1 CTL2 -0.080000 12.0110 0 1711 DPE 15 DPPE HA HAL2 0.090000 1.0080 0 1712 DPE 15 DPPE HB HAL2 0.090000 1.0080 0 1713 DPE 15 DPPE C2 CTL1 0.040000 12.0110 0 1714 DPE 15 DPPE HS HAL1 0.090000 1.0080 0 1715 DPE 15 DPPE O21 OSL -0.340000 15.9994 0 1716 DPE 15 DPPE C21 CL 0.630000 12.0110 0 1717 DPE 15 DPPE O22 OBL -0.520000 15.9994 0 1718 DPE 15 DPPE C22 CTL2 -0.080000 12.0110 0 1719 DPE 15 DPPE H2R HAL2 0.090000 1.0080 0 1720 DPE 15 DPPE H2S HAL2 0.090000 1.0080 0 1721 DPE 15 DPPE C3 CTL2 -0.050000 12.0110 0 1722 DPE 15 DPPE HX HAL2 0.090000 1.0080 0 1723 DPE 15 DPPE HY HAL2 0.090000 1.0080 0 1724 DPE 15 DPPE O31 OSL -0.340000 15.9994 0 1725 DPE 15 DPPE C31 CL 0.630000 12.0110 0 1726 DPE 15 DPPE O32 OBL -0.520000 15.9994 0 1727 DPE 15 DPPE C32 CTL2 -0.080000 12.0110 0 1728 DPE 15 DPPE H2X HAL2 0.090000 1.0080 0 1729 DPE 15 DPPE H2Y HAL2 0.090000 1.0080 0 1730 DPE 15 DPPE C23 CTL2 -0.180000 12.0110 0 1731 DPE 15 DPPE H3R HAL2 0.090000 1.0080 0 1732 DPE 15 DPPE H3S HAL2 0.090000 1.0080 0 1733 DPE 15 DPPE C24 CTL2 -0.180000 12.0110 0 1734 DPE 15 DPPE H4R HAL2 0.090000 1.0080 0 1735 DPE 15 DPPE H4S HAL2 0.090000 1.0080 0 1736 DPE 15 DPPE C25 CTL2 -0.180000 12.0110 0 1737 DPE 15 DPPE H5R HAL2 0.090000 1.0080 0 1738 DPE 15 DPPE H5S HAL2 0.090000 1.0080 0 1739 DPE 15 DPPE C26 CTL2 -0.180000 12.0110 0 1740 DPE 15 DPPE H6R HAL2 0.090000 1.0080 0 1741 DPE 15 DPPE H6S HAL2 0.090000 1.0080 0 1742 DPE 15 DPPE C27 CTL2 -0.180000 12.0110 0 1743 DPE 15 DPPE H7R HAL2 0.090000 1.0080 0 1744 DPE 15 DPPE H7S HAL2 0.090000 1.0080 0 1745 DPE 15 DPPE C28 CTL2 -0.180000 12.0110 0 1746 DPE 15 DPPE H8R HAL2 0.090000 1.0080 0 1747 DPE 15 DPPE H8S HAL2 0.090000 1.0080 0 1748 DPE 15 DPPE C29 CTL2 -0.180000 12.0110 0 1749 DPE 15 DPPE H9R HAL2 0.090000 1.0080 0 1750 DPE 15 DPPE H9S HAL2 0.090000 1.0080 0 1751 DPE 15 DPPE C210 CTL2 -0.180000 12.0110 0 1752 DPE 15 DPPE H10R HAL2 0.090000 1.0080 0 1753 DPE 15 DPPE H10S HAL2 0.090000 1.0080 0 1754 DPE 15 DPPE C211 CTL2 -0.180000 12.0110 0 1755 DPE 15 DPPE H11R HAL2 0.090000 1.0080 0 1756 DPE 15 DPPE H11S HAL2 0.090000 1.0080 0 1757 DPE 15 DPPE C212 CTL2 -0.180000 12.0110 0 1758 DPE 15 DPPE H12R HAL2 0.090000 1.0080 0 1759 DPE 15 DPPE H12S HAL2 0.090000 1.0080 0 1760 DPE 15 DPPE C213 CTL2 -0.180000 12.0110 0 1761 DPE 15 DPPE H13R HAL2 0.090000 1.0080 0 1762 DPE 15 DPPE H13S HAL2 0.090000 1.0080 0 1763 DPE 15 DPPE C214 CTL2 -0.180000 12.0110 0 1764 DPE 15 DPPE H14R HAL2 0.090000 1.0080 0 1765 DPE 15 DPPE H14S HAL2 0.090000 1.0080 0 1766 DPE 15 DPPE C215 CTL2 -0.180000 12.0110 0 1767 DPE 15 DPPE H15R HAL2 0.090000 1.0080 0 1768 DPE 15 DPPE H15S HAL2 0.090000 1.0080 0 1769 DPE 15 DPPE C216 CTL3 -0.270000 12.0110 0 1770 DPE 15 DPPE H16R HAL3 0.090000 1.0080 0 1771 DPE 15 DPPE H16S HAL3 0.090000 1.0080 0 1772 DPE 15 DPPE H16T HAL3 0.090000 1.0080 0 1773 DPE 15 DPPE C33 CTL2 -0.180000 12.0110 0 1774 DPE 15 DPPE H3X HAL2 0.090000 1.0080 0 1775 DPE 15 DPPE H3Y HAL2 0.090000 1.0080 0 1776 DPE 15 DPPE C34 CTL2 -0.180000 12.0110 0 1777 DPE 15 DPPE H4X HAL2 0.090000 1.0080 0 1778 DPE 15 DPPE H4Y HAL2 0.090000 1.0080 0 1779 DPE 15 DPPE C35 CTL2 -0.180000 12.0110 0 1780 DPE 15 DPPE H5X HAL2 0.090000 1.0080 0 1781 DPE 15 DPPE H5Y HAL2 0.090000 1.0080 0 1782 DPE 15 DPPE C36 CTL2 -0.180000 12.0110 0 1783 DPE 15 DPPE H6X HAL2 0.090000 1.0080 0 1784 DPE 15 DPPE H6Y HAL2 0.090000 1.0080 0 1785 DPE 15 DPPE C37 CTL2 -0.180000 12.0110 0 1786 DPE 15 DPPE H7X HAL2 0.090000 1.0080 0 1787 DPE 15 DPPE H7Y HAL2 0.090000 1.0080 0 1788 DPE 15 DPPE C38 CTL2 -0.180000 12.0110 0 1789 DPE 15 DPPE H8X HAL2 0.090000 1.0080 0 1790 DPE 15 DPPE H8Y HAL2 0.090000 1.0080 0 1791 DPE 15 DPPE C39 CTL2 -0.180000 12.0110 0 1792 DPE 15 DPPE H9X HAL2 0.090000 1.0080 0 1793 DPE 15 DPPE H9Y HAL2 0.090000 1.0080 0 1794 DPE 15 DPPE C310 CTL2 -0.180000 12.0110 0 1795 DPE 15 DPPE H10X HAL2 0.090000 1.0080 0 1796 DPE 15 DPPE H10Y HAL2 0.090000 1.0080 0 1797 DPE 15 DPPE C311 CTL2 -0.180000 12.0110 0 1798 DPE 15 DPPE H11X HAL2 0.090000 1.0080 0 1799 DPE 15 DPPE H11Y HAL2 0.090000 1.0080 0 1800 DPE 15 DPPE C312 CTL2 -0.180000 12.0110 0 1801 DPE 15 DPPE H12X HAL2 0.090000 1.0080 0 1802 DPE 15 DPPE H12Y HAL2 0.090000 1.0080 0 1803 DPE 15 DPPE C313 CTL2 -0.180000 12.0110 0 1804 DPE 15 DPPE H13X HAL2 0.090000 1.0080 0 1805 DPE 15 DPPE H13Y HAL2 0.090000 1.0080 0 1806 DPE 15 DPPE C314 CTL2 -0.180000 12.0110 0 1807 DPE 15 DPPE H14X HAL2 0.090000 1.0080 0 1808 DPE 15 DPPE H14Y HAL2 0.090000 1.0080 0 1809 DPE 15 DPPE C315 CTL2 -0.180000 12.0110 0 1810 DPE 15 DPPE H15X HAL2 0.090000 1.0080 0 1811 DPE 15 DPPE H15Y HAL2 0.090000 1.0080 0 1812 DPE 15 DPPE C316 CTL3 -0.270000 12.0110 0 1813 DPE 15 DPPE H16X HAL3 0.090000 1.0080 0 1814 DPE 15 DPPE H16Y HAL3 0.090000 1.0080 0 1815 DPE 15 DPPE H16Z HAL3 0.090000 1.0080 0 1816 DPE 16 DPPE N NH3L -0.300000 14.0070 0 1817 DPE 16 DPPE HN1 HCL 0.330000 1.0080 0 1818 DPE 16 DPPE HN2 HCL 0.330000 1.0080 0 1819 DPE 16 DPPE HN3 HCL 0.330000 1.0080 0 1820 DPE 16 DPPE C12 CTL2 0.130000 12.0110 0 1821 DPE 16 DPPE H12A HAL2 0.090000 1.0080 0 1822 DPE 16 DPPE H12B HAL2 0.090000 1.0080 0 1823 DPE 16 DPPE C11 CTL2 -0.080000 12.0110 0 1824 DPE 16 DPPE H11A HAL2 0.090000 1.0080 0 1825 DPE 16 DPPE H11B HAL2 0.090000 1.0080 0 1826 DPE 16 DPPE P PL 1.500000 30.9740 0 1827 DPE 16 DPPE O13 O2L -0.780000 15.9994 0 1828 DPE 16 DPPE O14 O2L -0.780000 15.9994 0 1829 DPE 16 DPPE O11 OSL -0.570000 15.9994 0 1830 DPE 16 DPPE O12 OSL -0.570000 15.9994 0 1831 DPE 16 DPPE C1 CTL2 -0.080000 12.0110 0 1832 DPE 16 DPPE HA HAL2 0.090000 1.0080 0 1833 DPE 16 DPPE HB HAL2 0.090000 1.0080 0 1834 DPE 16 DPPE C2 CTL1 0.040000 12.0110 0 1835 DPE 16 DPPE HS HAL1 0.090000 1.0080 0 1836 DPE 16 DPPE O21 OSL -0.340000 15.9994 0 1837 DPE 16 DPPE C21 CL 0.630000 12.0110 0 1838 DPE 16 DPPE O22 OBL -0.520000 15.9994 0 1839 DPE 16 DPPE C22 CTL2 -0.080000 12.0110 0 1840 DPE 16 DPPE H2R HAL2 0.090000 1.0080 0 1841 DPE 16 DPPE H2S HAL2 0.090000 1.0080 0 1842 DPE 16 DPPE C3 CTL2 -0.050000 12.0110 0 1843 DPE 16 DPPE HX HAL2 0.090000 1.0080 0 1844 DPE 16 DPPE HY HAL2 0.090000 1.0080 0 1845 DPE 16 DPPE O31 OSL -0.340000 15.9994 0 1846 DPE 16 DPPE C31 CL 0.630000 12.0110 0 1847 DPE 16 DPPE O32 OBL -0.520000 15.9994 0 1848 DPE 16 DPPE C32 CTL2 -0.080000 12.0110 0 1849 DPE 16 DPPE H2X HAL2 0.090000 1.0080 0 1850 DPE 16 DPPE H2Y HAL2 0.090000 1.0080 0 1851 DPE 16 DPPE C23 CTL2 -0.180000 12.0110 0 1852 DPE 16 DPPE H3R HAL2 0.090000 1.0080 0 1853 DPE 16 DPPE H3S HAL2 0.090000 1.0080 0 1854 DPE 16 DPPE C24 CTL2 -0.180000 12.0110 0 1855 DPE 16 DPPE H4R HAL2 0.090000 1.0080 0 1856 DPE 16 DPPE H4S HAL2 0.090000 1.0080 0 1857 DPE 16 DPPE C25 CTL2 -0.180000 12.0110 0 1858 DPE 16 DPPE H5R HAL2 0.090000 1.0080 0 1859 DPE 16 DPPE H5S HAL2 0.090000 1.0080 0 1860 DPE 16 DPPE C26 CTL2 -0.180000 12.0110 0 1861 DPE 16 DPPE H6R HAL2 0.090000 1.0080 0 1862 DPE 16 DPPE H6S HAL2 0.090000 1.0080 0 1863 DPE 16 DPPE C27 CTL2 -0.180000 12.0110 0 1864 DPE 16 DPPE H7R HAL2 0.090000 1.0080 0 1865 DPE 16 DPPE H7S HAL2 0.090000 1.0080 0 1866 DPE 16 DPPE C28 CTL2 -0.180000 12.0110 0 1867 DPE 16 DPPE H8R HAL2 0.090000 1.0080 0 1868 DPE 16 DPPE H8S HAL2 0.090000 1.0080 0 1869 DPE 16 DPPE C29 CTL2 -0.180000 12.0110 0 1870 DPE 16 DPPE H9R HAL2 0.090000 1.0080 0 1871 DPE 16 DPPE H9S HAL2 0.090000 1.0080 0 1872 DPE 16 DPPE C210 CTL2 -0.180000 12.0110 0 1873 DPE 16 DPPE H10R HAL2 0.090000 1.0080 0 1874 DPE 16 DPPE H10S HAL2 0.090000 1.0080 0 1875 DPE 16 DPPE C211 CTL2 -0.180000 12.0110 0 1876 DPE 16 DPPE H11R HAL2 0.090000 1.0080 0 1877 DPE 16 DPPE H11S HAL2 0.090000 1.0080 0 1878 DPE 16 DPPE C212 CTL2 -0.180000 12.0110 0 1879 DPE 16 DPPE H12R HAL2 0.090000 1.0080 0 1880 DPE 16 DPPE H12S HAL2 0.090000 1.0080 0 1881 DPE 16 DPPE C213 CTL2 -0.180000 12.0110 0 1882 DPE 16 DPPE H13R HAL2 0.090000 1.0080 0 1883 DPE 16 DPPE H13S HAL2 0.090000 1.0080 0 1884 DPE 16 DPPE C214 CTL2 -0.180000 12.0110 0 1885 DPE 16 DPPE H14R HAL2 0.090000 1.0080 0 1886 DPE 16 DPPE H14S HAL2 0.090000 1.0080 0 1887 DPE 16 DPPE C215 CTL2 -0.180000 12.0110 0 1888 DPE 16 DPPE H15R HAL2 0.090000 1.0080 0 1889 DPE 16 DPPE H15S HAL2 0.090000 1.0080 0 1890 DPE 16 DPPE C216 CTL3 -0.270000 12.0110 0 1891 DPE 16 DPPE H16R HAL3 0.090000 1.0080 0 1892 DPE 16 DPPE H16S HAL3 0.090000 1.0080 0 1893 DPE 16 DPPE H16T HAL3 0.090000 1.0080 0 1894 DPE 16 DPPE C33 CTL2 -0.180000 12.0110 0 1895 DPE 16 DPPE H3X HAL2 0.090000 1.0080 0 1896 DPE 16 DPPE H3Y HAL2 0.090000 1.0080 0 1897 DPE 16 DPPE C34 CTL2 -0.180000 12.0110 0 1898 DPE 16 DPPE H4X HAL2 0.090000 1.0080 0 1899 DPE 16 DPPE H4Y HAL2 0.090000 1.0080 0 1900 DPE 16 DPPE C35 CTL2 -0.180000 12.0110 0 1901 DPE 16 DPPE H5X HAL2 0.090000 1.0080 0 1902 DPE 16 DPPE H5Y HAL2 0.090000 1.0080 0 1903 DPE 16 DPPE C36 CTL2 -0.180000 12.0110 0 1904 DPE 16 DPPE H6X HAL2 0.090000 1.0080 0 1905 DPE 16 DPPE H6Y HAL2 0.090000 1.0080 0 1906 DPE 16 DPPE C37 CTL2 -0.180000 12.0110 0 1907 DPE 16 DPPE H7X HAL2 0.090000 1.0080 0 1908 DPE 16 DPPE H7Y HAL2 0.090000 1.0080 0 1909 DPE 16 DPPE C38 CTL2 -0.180000 12.0110 0 1910 DPE 16 DPPE H8X HAL2 0.090000 1.0080 0 1911 DPE 16 DPPE H8Y HAL2 0.090000 1.0080 0 1912 DPE 16 DPPE C39 CTL2 -0.180000 12.0110 0 1913 DPE 16 DPPE H9X HAL2 0.090000 1.0080 0 1914 DPE 16 DPPE H9Y HAL2 0.090000 1.0080 0 1915 DPE 16 DPPE C310 CTL2 -0.180000 12.0110 0 1916 DPE 16 DPPE H10X HAL2 0.090000 1.0080 0 1917 DPE 16 DPPE H10Y HAL2 0.090000 1.0080 0 1918 DPE 16 DPPE C311 CTL2 -0.180000 12.0110 0 1919 DPE 16 DPPE H11X HAL2 0.090000 1.0080 0 1920 DPE 16 DPPE H11Y HAL2 0.090000 1.0080 0 1921 DPE 16 DPPE C312 CTL2 -0.180000 12.0110 0 1922 DPE 16 DPPE H12X HAL2 0.090000 1.0080 0 1923 DPE 16 DPPE H12Y HAL2 0.090000 1.0080 0 1924 DPE 16 DPPE C313 CTL2 -0.180000 12.0110 0 1925 DPE 16 DPPE H13X HAL2 0.090000 1.0080 0 1926 DPE 16 DPPE H13Y HAL2 0.090000 1.0080 0 1927 DPE 16 DPPE C314 CTL2 -0.180000 12.0110 0 1928 DPE 16 DPPE H14X HAL2 0.090000 1.0080 0 1929 DPE 16 DPPE H14Y HAL2 0.090000 1.0080 0 1930 DPE 16 DPPE C315 CTL2 -0.180000 12.0110 0 1931 DPE 16 DPPE H15X HAL2 0.090000 1.0080 0 1932 DPE 16 DPPE H15Y HAL2 0.090000 1.0080 0 1933 DPE 16 DPPE C316 CTL3 -0.270000 12.0110 0 1934 DPE 16 DPPE H16X HAL3 0.090000 1.0080 0 1935 DPE 16 DPPE H16Y HAL3 0.090000 1.0080 0 1936 DPE 16 DPPE H16Z HAL3 0.090000 1.0080 0 1937 DPE 17 DPPE N NH3L -0.300000 14.0070 0 1938 DPE 17 DPPE HN1 HCL 0.330000 1.0080 0 1939 DPE 17 DPPE HN2 HCL 0.330000 1.0080 0 1940 DPE 17 DPPE HN3 HCL 0.330000 1.0080 0 1941 DPE 17 DPPE C12 CTL2 0.130000 12.0110 0 1942 DPE 17 DPPE H12A HAL2 0.090000 1.0080 0 1943 DPE 17 DPPE H12B HAL2 0.090000 1.0080 0 1944 DPE 17 DPPE C11 CTL2 -0.080000 12.0110 0 1945 DPE 17 DPPE H11A HAL2 0.090000 1.0080 0 1946 DPE 17 DPPE H11B HAL2 0.090000 1.0080 0 1947 DPE 17 DPPE P PL 1.500000 30.9740 0 1948 DPE 17 DPPE O13 O2L -0.780000 15.9994 0 1949 DPE 17 DPPE O14 O2L -0.780000 15.9994 0 1950 DPE 17 DPPE O11 OSL -0.570000 15.9994 0 1951 DPE 17 DPPE O12 OSL -0.570000 15.9994 0 1952 DPE 17 DPPE C1 CTL2 -0.080000 12.0110 0 1953 DPE 17 DPPE HA HAL2 0.090000 1.0080 0 1954 DPE 17 DPPE HB HAL2 0.090000 1.0080 0 1955 DPE 17 DPPE C2 CTL1 0.040000 12.0110 0 1956 DPE 17 DPPE HS HAL1 0.090000 1.0080 0 1957 DPE 17 DPPE O21 OSL -0.340000 15.9994 0 1958 DPE 17 DPPE C21 CL 0.630000 12.0110 0 1959 DPE 17 DPPE O22 OBL -0.520000 15.9994 0 1960 DPE 17 DPPE C22 CTL2 -0.080000 12.0110 0 1961 DPE 17 DPPE H2R HAL2 0.090000 1.0080 0 1962 DPE 17 DPPE H2S HAL2 0.090000 1.0080 0 1963 DPE 17 DPPE C3 CTL2 -0.050000 12.0110 0 1964 DPE 17 DPPE HX HAL2 0.090000 1.0080 0 1965 DPE 17 DPPE HY HAL2 0.090000 1.0080 0 1966 DPE 17 DPPE O31 OSL -0.340000 15.9994 0 1967 DPE 17 DPPE C31 CL 0.630000 12.0110 0 1968 DPE 17 DPPE O32 OBL -0.520000 15.9994 0 1969 DPE 17 DPPE C32 CTL2 -0.080000 12.0110 0 1970 DPE 17 DPPE H2X HAL2 0.090000 1.0080 0 1971 DPE 17 DPPE H2Y HAL2 0.090000 1.0080 0 1972 DPE 17 DPPE C23 CTL2 -0.180000 12.0110 0 1973 DPE 17 DPPE H3R HAL2 0.090000 1.0080 0 1974 DPE 17 DPPE H3S HAL2 0.090000 1.0080 0 1975 DPE 17 DPPE C24 CTL2 -0.180000 12.0110 0 1976 DPE 17 DPPE H4R HAL2 0.090000 1.0080 0 1977 DPE 17 DPPE H4S HAL2 0.090000 1.0080 0 1978 DPE 17 DPPE C25 CTL2 -0.180000 12.0110 0 1979 DPE 17 DPPE H5R HAL2 0.090000 1.0080 0 1980 DPE 17 DPPE H5S HAL2 0.090000 1.0080 0 1981 DPE 17 DPPE C26 CTL2 -0.180000 12.0110 0 1982 DPE 17 DPPE H6R HAL2 0.090000 1.0080 0 1983 DPE 17 DPPE H6S HAL2 0.090000 1.0080 0 1984 DPE 17 DPPE C27 CTL2 -0.180000 12.0110 0 1985 DPE 17 DPPE H7R HAL2 0.090000 1.0080 0 1986 DPE 17 DPPE H7S HAL2 0.090000 1.0080 0 1987 DPE 17 DPPE C28 CTL2 -0.180000 12.0110 0 1988 DPE 17 DPPE H8R HAL2 0.090000 1.0080 0 1989 DPE 17 DPPE H8S HAL2 0.090000 1.0080 0 1990 DPE 17 DPPE C29 CTL2 -0.180000 12.0110 0 1991 DPE 17 DPPE H9R HAL2 0.090000 1.0080 0 1992 DPE 17 DPPE H9S HAL2 0.090000 1.0080 0 1993 DPE 17 DPPE C210 CTL2 -0.180000 12.0110 0 1994 DPE 17 DPPE H10R HAL2 0.090000 1.0080 0 1995 DPE 17 DPPE H10S HAL2 0.090000 1.0080 0 1996 DPE 17 DPPE C211 CTL2 -0.180000 12.0110 0 1997 DPE 17 DPPE H11R HAL2 0.090000 1.0080 0 1998 DPE 17 DPPE H11S HAL2 0.090000 1.0080 0 1999 DPE 17 DPPE C212 CTL2 -0.180000 12.0110 0 2000 DPE 17 DPPE H12R HAL2 0.090000 1.0080 0 2001 DPE 17 DPPE H12S HAL2 0.090000 1.0080 0 2002 DPE 17 DPPE C213 CTL2 -0.180000 12.0110 0 2003 DPE 17 DPPE H13R HAL2 0.090000 1.0080 0 2004 DPE 17 DPPE H13S HAL2 0.090000 1.0080 0 2005 DPE 17 DPPE C214 CTL2 -0.180000 12.0110 0 2006 DPE 17 DPPE H14R HAL2 0.090000 1.0080 0 2007 DPE 17 DPPE H14S HAL2 0.090000 1.0080 0 2008 DPE 17 DPPE C215 CTL2 -0.180000 12.0110 0 2009 DPE 17 DPPE H15R HAL2 0.090000 1.0080 0 2010 DPE 17 DPPE H15S HAL2 0.090000 1.0080 0 2011 DPE 17 DPPE C216 CTL3 -0.270000 12.0110 0 2012 DPE 17 DPPE H16R HAL3 0.090000 1.0080 0 2013 DPE 17 DPPE H16S HAL3 0.090000 1.0080 0 2014 DPE 17 DPPE H16T HAL3 0.090000 1.0080 0 2015 DPE 17 DPPE C33 CTL2 -0.180000 12.0110 0 2016 DPE 17 DPPE H3X HAL2 0.090000 1.0080 0 2017 DPE 17 DPPE H3Y HAL2 0.090000 1.0080 0 2018 DPE 17 DPPE C34 CTL2 -0.180000 12.0110 0 2019 DPE 17 DPPE H4X HAL2 0.090000 1.0080 0 2020 DPE 17 DPPE H4Y HAL2 0.090000 1.0080 0 2021 DPE 17 DPPE C35 CTL2 -0.180000 12.0110 0 2022 DPE 17 DPPE H5X HAL2 0.090000 1.0080 0 2023 DPE 17 DPPE H5Y HAL2 0.090000 1.0080 0 2024 DPE 17 DPPE C36 CTL2 -0.180000 12.0110 0 2025 DPE 17 DPPE H6X HAL2 0.090000 1.0080 0 2026 DPE 17 DPPE H6Y HAL2 0.090000 1.0080 0 2027 DPE 17 DPPE C37 CTL2 -0.180000 12.0110 0 2028 DPE 17 DPPE H7X HAL2 0.090000 1.0080 0 2029 DPE 17 DPPE H7Y HAL2 0.090000 1.0080 0 2030 DPE 17 DPPE C38 CTL2 -0.180000 12.0110 0 2031 DPE 17 DPPE H8X HAL2 0.090000 1.0080 0 2032 DPE 17 DPPE H8Y HAL2 0.090000 1.0080 0 2033 DPE 17 DPPE C39 CTL2 -0.180000 12.0110 0 2034 DPE 17 DPPE H9X HAL2 0.090000 1.0080 0 2035 DPE 17 DPPE H9Y HAL2 0.090000 1.0080 0 2036 DPE 17 DPPE C310 CTL2 -0.180000 12.0110 0 2037 DPE 17 DPPE H10X HAL2 0.090000 1.0080 0 2038 DPE 17 DPPE H10Y HAL2 0.090000 1.0080 0 2039 DPE 17 DPPE C311 CTL2 -0.180000 12.0110 0 2040 DPE 17 DPPE H11X HAL2 0.090000 1.0080 0 2041 DPE 17 DPPE H11Y HAL2 0.090000 1.0080 0 2042 DPE 17 DPPE C312 CTL2 -0.180000 12.0110 0 2043 DPE 17 DPPE H12X HAL2 0.090000 1.0080 0 2044 DPE 17 DPPE H12Y HAL2 0.090000 1.0080 0 2045 DPE 17 DPPE C313 CTL2 -0.180000 12.0110 0 2046 DPE 17 DPPE H13X HAL2 0.090000 1.0080 0 2047 DPE 17 DPPE H13Y HAL2 0.090000 1.0080 0 2048 DPE 17 DPPE C314 CTL2 -0.180000 12.0110 0 2049 DPE 17 DPPE H14X HAL2 0.090000 1.0080 0 2050 DPE 17 DPPE H14Y HAL2 0.090000 1.0080 0 2051 DPE 17 DPPE C315 CTL2 -0.180000 12.0110 0 2052 DPE 17 DPPE H15X HAL2 0.090000 1.0080 0 2053 DPE 17 DPPE H15Y HAL2 0.090000 1.0080 0 2054 DPE 17 DPPE C316 CTL3 -0.270000 12.0110 0 2055 DPE 17 DPPE H16X HAL3 0.090000 1.0080 0 2056 DPE 17 DPPE H16Y HAL3 0.090000 1.0080 0 2057 DPE 17 DPPE H16Z HAL3 0.090000 1.0080 0 2058 DPE 18 DPPE N NH3L -0.300000 14.0070 0 2059 DPE 18 DPPE HN1 HCL 0.330000 1.0080 0 2060 DPE 18 DPPE HN2 HCL 0.330000 1.0080 0 2061 DPE 18 DPPE HN3 HCL 0.330000 1.0080 0 2062 DPE 18 DPPE C12 CTL2 0.130000 12.0110 0 2063 DPE 18 DPPE H12A HAL2 0.090000 1.0080 0 2064 DPE 18 DPPE H12B HAL2 0.090000 1.0080 0 2065 DPE 18 DPPE C11 CTL2 -0.080000 12.0110 0 2066 DPE 18 DPPE H11A HAL2 0.090000 1.0080 0 2067 DPE 18 DPPE H11B HAL2 0.090000 1.0080 0 2068 DPE 18 DPPE P PL 1.500000 30.9740 0 2069 DPE 18 DPPE O13 O2L -0.780000 15.9994 0 2070 DPE 18 DPPE O14 O2L -0.780000 15.9994 0 2071 DPE 18 DPPE O11 OSL -0.570000 15.9994 0 2072 DPE 18 DPPE O12 OSL -0.570000 15.9994 0 2073 DPE 18 DPPE C1 CTL2 -0.080000 12.0110 0 2074 DPE 18 DPPE HA HAL2 0.090000 1.0080 0 2075 DPE 18 DPPE HB HAL2 0.090000 1.0080 0 2076 DPE 18 DPPE C2 CTL1 0.040000 12.0110 0 2077 DPE 18 DPPE HS HAL1 0.090000 1.0080 0 2078 DPE 18 DPPE O21 OSL -0.340000 15.9994 0 2079 DPE 18 DPPE C21 CL 0.630000 12.0110 0 2080 DPE 18 DPPE O22 OBL -0.520000 15.9994 0 2081 DPE 18 DPPE C22 CTL2 -0.080000 12.0110 0 2082 DPE 18 DPPE H2R HAL2 0.090000 1.0080 0 2083 DPE 18 DPPE H2S HAL2 0.090000 1.0080 0 2084 DPE 18 DPPE C3 CTL2 -0.050000 12.0110 0 2085 DPE 18 DPPE HX HAL2 0.090000 1.0080 0 2086 DPE 18 DPPE HY HAL2 0.090000 1.0080 0 2087 DPE 18 DPPE O31 OSL -0.340000 15.9994 0 2088 DPE 18 DPPE C31 CL 0.630000 12.0110 0 2089 DPE 18 DPPE O32 OBL -0.520000 15.9994 0 2090 DPE 18 DPPE C32 CTL2 -0.080000 12.0110 0 2091 DPE 18 DPPE H2X HAL2 0.090000 1.0080 0 2092 DPE 18 DPPE H2Y HAL2 0.090000 1.0080 0 2093 DPE 18 DPPE C23 CTL2 -0.180000 12.0110 0 2094 DPE 18 DPPE H3R HAL2 0.090000 1.0080 0 2095 DPE 18 DPPE H3S HAL2 0.090000 1.0080 0 2096 DPE 18 DPPE C24 CTL2 -0.180000 12.0110 0 2097 DPE 18 DPPE H4R HAL2 0.090000 1.0080 0 2098 DPE 18 DPPE H4S HAL2 0.090000 1.0080 0 2099 DPE 18 DPPE C25 CTL2 -0.180000 12.0110 0 2100 DPE 18 DPPE H5R HAL2 0.090000 1.0080 0 2101 DPE 18 DPPE H5S HAL2 0.090000 1.0080 0 2102 DPE 18 DPPE C26 CTL2 -0.180000 12.0110 0 2103 DPE 18 DPPE H6R HAL2 0.090000 1.0080 0 2104 DPE 18 DPPE H6S HAL2 0.090000 1.0080 0 2105 DPE 18 DPPE C27 CTL2 -0.180000 12.0110 0 2106 DPE 18 DPPE H7R HAL2 0.090000 1.0080 0 2107 DPE 18 DPPE H7S HAL2 0.090000 1.0080 0 2108 DPE 18 DPPE C28 CTL2 -0.180000 12.0110 0 2109 DPE 18 DPPE H8R HAL2 0.090000 1.0080 0 2110 DPE 18 DPPE H8S HAL2 0.090000 1.0080 0 2111 DPE 18 DPPE C29 CTL2 -0.180000 12.0110 0 2112 DPE 18 DPPE H9R HAL2 0.090000 1.0080 0 2113 DPE 18 DPPE H9S HAL2 0.090000 1.0080 0 2114 DPE 18 DPPE C210 CTL2 -0.180000 12.0110 0 2115 DPE 18 DPPE H10R HAL2 0.090000 1.0080 0 2116 DPE 18 DPPE H10S HAL2 0.090000 1.0080 0 2117 DPE 18 DPPE C211 CTL2 -0.180000 12.0110 0 2118 DPE 18 DPPE H11R HAL2 0.090000 1.0080 0 2119 DPE 18 DPPE H11S HAL2 0.090000 1.0080 0 2120 DPE 18 DPPE C212 CTL2 -0.180000 12.0110 0 2121 DPE 18 DPPE H12R HAL2 0.090000 1.0080 0 2122 DPE 18 DPPE H12S HAL2 0.090000 1.0080 0 2123 DPE 18 DPPE C213 CTL2 -0.180000 12.0110 0 2124 DPE 18 DPPE H13R HAL2 0.090000 1.0080 0 2125 DPE 18 DPPE H13S HAL2 0.090000 1.0080 0 2126 DPE 18 DPPE C214 CTL2 -0.180000 12.0110 0 2127 DPE 18 DPPE H14R HAL2 0.090000 1.0080 0 2128 DPE 18 DPPE H14S HAL2 0.090000 1.0080 0 2129 DPE 18 DPPE C215 CTL2 -0.180000 12.0110 0 2130 DPE 18 DPPE H15R HAL2 0.090000 1.0080 0 2131 DPE 18 DPPE H15S HAL2 0.090000 1.0080 0 2132 DPE 18 DPPE C216 CTL3 -0.270000 12.0110 0 2133 DPE 18 DPPE H16R HAL3 0.090000 1.0080 0 2134 DPE 18 DPPE H16S HAL3 0.090000 1.0080 0 2135 DPE 18 DPPE H16T HAL3 0.090000 1.0080 0 2136 DPE 18 DPPE C33 CTL2 -0.180000 12.0110 0 2137 DPE 18 DPPE H3X HAL2 0.090000 1.0080 0 2138 DPE 18 DPPE H3Y HAL2 0.090000 1.0080 0 2139 DPE 18 DPPE C34 CTL2 -0.180000 12.0110 0 2140 DPE 18 DPPE H4X HAL2 0.090000 1.0080 0 2141 DPE 18 DPPE H4Y HAL2 0.090000 1.0080 0 2142 DPE 18 DPPE C35 CTL2 -0.180000 12.0110 0 2143 DPE 18 DPPE H5X HAL2 0.090000 1.0080 0 2144 DPE 18 DPPE H5Y HAL2 0.090000 1.0080 0 2145 DPE 18 DPPE C36 CTL2 -0.180000 12.0110 0 2146 DPE 18 DPPE H6X HAL2 0.090000 1.0080 0 2147 DPE 18 DPPE H6Y HAL2 0.090000 1.0080 0 2148 DPE 18 DPPE C37 CTL2 -0.180000 12.0110 0 2149 DPE 18 DPPE H7X HAL2 0.090000 1.0080 0 2150 DPE 18 DPPE H7Y HAL2 0.090000 1.0080 0 2151 DPE 18 DPPE C38 CTL2 -0.180000 12.0110 0 2152 DPE 18 DPPE H8X HAL2 0.090000 1.0080 0 2153 DPE 18 DPPE H8Y HAL2 0.090000 1.0080 0 2154 DPE 18 DPPE C39 CTL2 -0.180000 12.0110 0 2155 DPE 18 DPPE H9X HAL2 0.090000 1.0080 0 2156 DPE 18 DPPE H9Y HAL2 0.090000 1.0080 0 2157 DPE 18 DPPE C310 CTL2 -0.180000 12.0110 0 2158 DPE 18 DPPE H10X HAL2 0.090000 1.0080 0 2159 DPE 18 DPPE H10Y HAL2 0.090000 1.0080 0 2160 DPE 18 DPPE C311 CTL2 -0.180000 12.0110 0 2161 DPE 18 DPPE H11X HAL2 0.090000 1.0080 0 2162 DPE 18 DPPE H11Y HAL2 0.090000 1.0080 0 2163 DPE 18 DPPE C312 CTL2 -0.180000 12.0110 0 2164 DPE 18 DPPE H12X HAL2 0.090000 1.0080 0 2165 DPE 18 DPPE H12Y HAL2 0.090000 1.0080 0 2166 DPE 18 DPPE C313 CTL2 -0.180000 12.0110 0 2167 DPE 18 DPPE H13X HAL2 0.090000 1.0080 0 2168 DPE 18 DPPE H13Y HAL2 0.090000 1.0080 0 2169 DPE 18 DPPE C314 CTL2 -0.180000 12.0110 0 2170 DPE 18 DPPE H14X HAL2 0.090000 1.0080 0 2171 DPE 18 DPPE H14Y HAL2 0.090000 1.0080 0 2172 DPE 18 DPPE C315 CTL2 -0.180000 12.0110 0 2173 DPE 18 DPPE H15X HAL2 0.090000 1.0080 0 2174 DPE 18 DPPE H15Y HAL2 0.090000 1.0080 0 2175 DPE 18 DPPE C316 CTL3 -0.270000 12.0110 0 2176 DPE 18 DPPE H16X HAL3 0.090000 1.0080 0 2177 DPE 18 DPPE H16Y HAL3 0.090000 1.0080 0 2178 DPE 18 DPPE H16Z HAL3 0.090000 1.0080 0 2179 DPE 19 DPPE N NH3L -0.300000 14.0070 0 2180 DPE 19 DPPE HN1 HCL 0.330000 1.0080 0 2181 DPE 19 DPPE HN2 HCL 0.330000 1.0080 0 2182 DPE 19 DPPE HN3 HCL 0.330000 1.0080 0 2183 DPE 19 DPPE C12 CTL2 0.130000 12.0110 0 2184 DPE 19 DPPE H12A HAL2 0.090000 1.0080 0 2185 DPE 19 DPPE H12B HAL2 0.090000 1.0080 0 2186 DPE 19 DPPE C11 CTL2 -0.080000 12.0110 0 2187 DPE 19 DPPE H11A HAL2 0.090000 1.0080 0 2188 DPE 19 DPPE H11B HAL2 0.090000 1.0080 0 2189 DPE 19 DPPE P PL 1.500000 30.9740 0 2190 DPE 19 DPPE O13 O2L -0.780000 15.9994 0 2191 DPE 19 DPPE O14 O2L -0.780000 15.9994 0 2192 DPE 19 DPPE O11 OSL -0.570000 15.9994 0 2193 DPE 19 DPPE O12 OSL -0.570000 15.9994 0 2194 DPE 19 DPPE C1 CTL2 -0.080000 12.0110 0 2195 DPE 19 DPPE HA HAL2 0.090000 1.0080 0 2196 DPE 19 DPPE HB HAL2 0.090000 1.0080 0 2197 DPE 19 DPPE C2 CTL1 0.040000 12.0110 0 2198 DPE 19 DPPE HS HAL1 0.090000 1.0080 0 2199 DPE 19 DPPE O21 OSL -0.340000 15.9994 0 2200 DPE 19 DPPE C21 CL 0.630000 12.0110 0 2201 DPE 19 DPPE O22 OBL -0.520000 15.9994 0 2202 DPE 19 DPPE C22 CTL2 -0.080000 12.0110 0 2203 DPE 19 DPPE H2R HAL2 0.090000 1.0080 0 2204 DPE 19 DPPE H2S HAL2 0.090000 1.0080 0 2205 DPE 19 DPPE C3 CTL2 -0.050000 12.0110 0 2206 DPE 19 DPPE HX HAL2 0.090000 1.0080 0 2207 DPE 19 DPPE HY HAL2 0.090000 1.0080 0 2208 DPE 19 DPPE O31 OSL -0.340000 15.9994 0 2209 DPE 19 DPPE C31 CL 0.630000 12.0110 0 2210 DPE 19 DPPE O32 OBL -0.520000 15.9994 0 2211 DPE 19 DPPE C32 CTL2 -0.080000 12.0110 0 2212 DPE 19 DPPE H2X HAL2 0.090000 1.0080 0 2213 DPE 19 DPPE H2Y HAL2 0.090000 1.0080 0 2214 DPE 19 DPPE C23 CTL2 -0.180000 12.0110 0 2215 DPE 19 DPPE H3R HAL2 0.090000 1.0080 0 2216 DPE 19 DPPE H3S HAL2 0.090000 1.0080 0 2217 DPE 19 DPPE C24 CTL2 -0.180000 12.0110 0 2218 DPE 19 DPPE H4R HAL2 0.090000 1.0080 0 2219 DPE 19 DPPE H4S HAL2 0.090000 1.0080 0 2220 DPE 19 DPPE C25 CTL2 -0.180000 12.0110 0 2221 DPE 19 DPPE H5R HAL2 0.090000 1.0080 0 2222 DPE 19 DPPE H5S HAL2 0.090000 1.0080 0 2223 DPE 19 DPPE C26 CTL2 -0.180000 12.0110 0 2224 DPE 19 DPPE H6R HAL2 0.090000 1.0080 0 2225 DPE 19 DPPE H6S HAL2 0.090000 1.0080 0 2226 DPE 19 DPPE C27 CTL2 -0.180000 12.0110 0 2227 DPE 19 DPPE H7R HAL2 0.090000 1.0080 0 2228 DPE 19 DPPE H7S HAL2 0.090000 1.0080 0 2229 DPE 19 DPPE C28 CTL2 -0.180000 12.0110 0 2230 DPE 19 DPPE H8R HAL2 0.090000 1.0080 0 2231 DPE 19 DPPE H8S HAL2 0.090000 1.0080 0 2232 DPE 19 DPPE C29 CTL2 -0.180000 12.0110 0 2233 DPE 19 DPPE H9R HAL2 0.090000 1.0080 0 2234 DPE 19 DPPE H9S HAL2 0.090000 1.0080 0 2235 DPE 19 DPPE C210 CTL2 -0.180000 12.0110 0 2236 DPE 19 DPPE H10R HAL2 0.090000 1.0080 0 2237 DPE 19 DPPE H10S HAL2 0.090000 1.0080 0 2238 DPE 19 DPPE C211 CTL2 -0.180000 12.0110 0 2239 DPE 19 DPPE H11R HAL2 0.090000 1.0080 0 2240 DPE 19 DPPE H11S HAL2 0.090000 1.0080 0 2241 DPE 19 DPPE C212 CTL2 -0.180000 12.0110 0 2242 DPE 19 DPPE H12R HAL2 0.090000 1.0080 0 2243 DPE 19 DPPE H12S HAL2 0.090000 1.0080 0 2244 DPE 19 DPPE C213 CTL2 -0.180000 12.0110 0 2245 DPE 19 DPPE H13R HAL2 0.090000 1.0080 0 2246 DPE 19 DPPE H13S HAL2 0.090000 1.0080 0 2247 DPE 19 DPPE C214 CTL2 -0.180000 12.0110 0 2248 DPE 19 DPPE H14R HAL2 0.090000 1.0080 0 2249 DPE 19 DPPE H14S HAL2 0.090000 1.0080 0 2250 DPE 19 DPPE C215 CTL2 -0.180000 12.0110 0 2251 DPE 19 DPPE H15R HAL2 0.090000 1.0080 0 2252 DPE 19 DPPE H15S HAL2 0.090000 1.0080 0 2253 DPE 19 DPPE C216 CTL3 -0.270000 12.0110 0 2254 DPE 19 DPPE H16R HAL3 0.090000 1.0080 0 2255 DPE 19 DPPE H16S HAL3 0.090000 1.0080 0 2256 DPE 19 DPPE H16T HAL3 0.090000 1.0080 0 2257 DPE 19 DPPE C33 CTL2 -0.180000 12.0110 0 2258 DPE 19 DPPE H3X HAL2 0.090000 1.0080 0 2259 DPE 19 DPPE H3Y HAL2 0.090000 1.0080 0 2260 DPE 19 DPPE C34 CTL2 -0.180000 12.0110 0 2261 DPE 19 DPPE H4X HAL2 0.090000 1.0080 0 2262 DPE 19 DPPE H4Y HAL2 0.090000 1.0080 0 2263 DPE 19 DPPE C35 CTL2 -0.180000 12.0110 0 2264 DPE 19 DPPE H5X HAL2 0.090000 1.0080 0 2265 DPE 19 DPPE H5Y HAL2 0.090000 1.0080 0 2266 DPE 19 DPPE C36 CTL2 -0.180000 12.0110 0 2267 DPE 19 DPPE H6X HAL2 0.090000 1.0080 0 2268 DPE 19 DPPE H6Y HAL2 0.090000 1.0080 0 2269 DPE 19 DPPE C37 CTL2 -0.180000 12.0110 0 2270 DPE 19 DPPE H7X HAL2 0.090000 1.0080 0 2271 DPE 19 DPPE H7Y HAL2 0.090000 1.0080 0 2272 DPE 19 DPPE C38 CTL2 -0.180000 12.0110 0 2273 DPE 19 DPPE H8X HAL2 0.090000 1.0080 0 2274 DPE 19 DPPE H8Y HAL2 0.090000 1.0080 0 2275 DPE 19 DPPE C39 CTL2 -0.180000 12.0110 0 2276 DPE 19 DPPE H9X HAL2 0.090000 1.0080 0 2277 DPE 19 DPPE H9Y HAL2 0.090000 1.0080 0 2278 DPE 19 DPPE C310 CTL2 -0.180000 12.0110 0 2279 DPE 19 DPPE H10X HAL2 0.090000 1.0080 0 2280 DPE 19 DPPE H10Y HAL2 0.090000 1.0080 0 2281 DPE 19 DPPE C311 CTL2 -0.180000 12.0110 0 2282 DPE 19 DPPE H11X HAL2 0.090000 1.0080 0 2283 DPE 19 DPPE H11Y HAL2 0.090000 1.0080 0 2284 DPE 19 DPPE C312 CTL2 -0.180000 12.0110 0 2285 DPE 19 DPPE H12X HAL2 0.090000 1.0080 0 2286 DPE 19 DPPE H12Y HAL2 0.090000 1.0080 0 2287 DPE 19 DPPE C313 CTL2 -0.180000 12.0110 0 2288 DPE 19 DPPE H13X HAL2 0.090000 1.0080 0 2289 DPE 19 DPPE H13Y HAL2 0.090000 1.0080 0 2290 DPE 19 DPPE C314 CTL2 -0.180000 12.0110 0 2291 DPE 19 DPPE H14X HAL2 0.090000 1.0080 0 2292 DPE 19 DPPE H14Y HAL2 0.090000 1.0080 0 2293 DPE 19 DPPE C315 CTL2 -0.180000 12.0110 0 2294 DPE 19 DPPE H15X HAL2 0.090000 1.0080 0 2295 DPE 19 DPPE H15Y HAL2 0.090000 1.0080 0 2296 DPE 19 DPPE C316 CTL3 -0.270000 12.0110 0 2297 DPE 19 DPPE H16X HAL3 0.090000 1.0080 0 2298 DPE 19 DPPE H16Y HAL3 0.090000 1.0080 0 2299 DPE 19 DPPE H16Z HAL3 0.090000 1.0080 0 2300 DPE 20 DPPE N NH3L -0.300000 14.0070 0 2301 DPE 20 DPPE HN1 HCL 0.330000 1.0080 0 2302 DPE 20 DPPE HN2 HCL 0.330000 1.0080 0 2303 DPE 20 DPPE HN3 HCL 0.330000 1.0080 0 2304 DPE 20 DPPE C12 CTL2 0.130000 12.0110 0 2305 DPE 20 DPPE H12A HAL2 0.090000 1.0080 0 2306 DPE 20 DPPE H12B HAL2 0.090000 1.0080 0 2307 DPE 20 DPPE C11 CTL2 -0.080000 12.0110 0 2308 DPE 20 DPPE H11A HAL2 0.090000 1.0080 0 2309 DPE 20 DPPE H11B HAL2 0.090000 1.0080 0 2310 DPE 20 DPPE P PL 1.500000 30.9740 0 2311 DPE 20 DPPE O13 O2L -0.780000 15.9994 0 2312 DPE 20 DPPE O14 O2L -0.780000 15.9994 0 2313 DPE 20 DPPE O11 OSL -0.570000 15.9994 0 2314 DPE 20 DPPE O12 OSL -0.570000 15.9994 0 2315 DPE 20 DPPE C1 CTL2 -0.080000 12.0110 0 2316 DPE 20 DPPE HA HAL2 0.090000 1.0080 0 2317 DPE 20 DPPE HB HAL2 0.090000 1.0080 0 2318 DPE 20 DPPE C2 CTL1 0.040000 12.0110 0 2319 DPE 20 DPPE HS HAL1 0.090000 1.0080 0 2320 DPE 20 DPPE O21 OSL -0.340000 15.9994 0 2321 DPE 20 DPPE C21 CL 0.630000 12.0110 0 2322 DPE 20 DPPE O22 OBL -0.520000 15.9994 0 2323 DPE 20 DPPE C22 CTL2 -0.080000 12.0110 0 2324 DPE 20 DPPE H2R HAL2 0.090000 1.0080 0 2325 DPE 20 DPPE H2S HAL2 0.090000 1.0080 0 2326 DPE 20 DPPE C3 CTL2 -0.050000 12.0110 0 2327 DPE 20 DPPE HX HAL2 0.090000 1.0080 0 2328 DPE 20 DPPE HY HAL2 0.090000 1.0080 0 2329 DPE 20 DPPE O31 OSL -0.340000 15.9994 0 2330 DPE 20 DPPE C31 CL 0.630000 12.0110 0 2331 DPE 20 DPPE O32 OBL -0.520000 15.9994 0 2332 DPE 20 DPPE C32 CTL2 -0.080000 12.0110 0 2333 DPE 20 DPPE H2X HAL2 0.090000 1.0080 0 2334 DPE 20 DPPE H2Y HAL2 0.090000 1.0080 0 2335 DPE 20 DPPE C23 CTL2 -0.180000 12.0110 0 2336 DPE 20 DPPE H3R HAL2 0.090000 1.0080 0 2337 DPE 20 DPPE H3S HAL2 0.090000 1.0080 0 2338 DPE 20 DPPE C24 CTL2 -0.180000 12.0110 0 2339 DPE 20 DPPE H4R HAL2 0.090000 1.0080 0 2340 DPE 20 DPPE H4S HAL2 0.090000 1.0080 0 2341 DPE 20 DPPE C25 CTL2 -0.180000 12.0110 0 2342 DPE 20 DPPE H5R HAL2 0.090000 1.0080 0 2343 DPE 20 DPPE H5S HAL2 0.090000 1.0080 0 2344 DPE 20 DPPE C26 CTL2 -0.180000 12.0110 0 2345 DPE 20 DPPE H6R HAL2 0.090000 1.0080 0 2346 DPE 20 DPPE H6S HAL2 0.090000 1.0080 0 2347 DPE 20 DPPE C27 CTL2 -0.180000 12.0110 0 2348 DPE 20 DPPE H7R HAL2 0.090000 1.0080 0 2349 DPE 20 DPPE H7S HAL2 0.090000 1.0080 0 2350 DPE 20 DPPE C28 CTL2 -0.180000 12.0110 0 2351 DPE 20 DPPE H8R HAL2 0.090000 1.0080 0 2352 DPE 20 DPPE H8S HAL2 0.090000 1.0080 0 2353 DPE 20 DPPE C29 CTL2 -0.180000 12.0110 0 2354 DPE 20 DPPE H9R HAL2 0.090000 1.0080 0 2355 DPE 20 DPPE H9S HAL2 0.090000 1.0080 0 2356 DPE 20 DPPE C210 CTL2 -0.180000 12.0110 0 2357 DPE 20 DPPE H10R HAL2 0.090000 1.0080 0 2358 DPE 20 DPPE H10S HAL2 0.090000 1.0080 0 2359 DPE 20 DPPE C211 CTL2 -0.180000 12.0110 0 2360 DPE 20 DPPE H11R HAL2 0.090000 1.0080 0 2361 DPE 20 DPPE H11S HAL2 0.090000 1.0080 0 2362 DPE 20 DPPE C212 CTL2 -0.180000 12.0110 0 2363 DPE 20 DPPE H12R HAL2 0.090000 1.0080 0 2364 DPE 20 DPPE H12S HAL2 0.090000 1.0080 0 2365 DPE 20 DPPE C213 CTL2 -0.180000 12.0110 0 2366 DPE 20 DPPE H13R HAL2 0.090000 1.0080 0 2367 DPE 20 DPPE H13S HAL2 0.090000 1.0080 0 2368 DPE 20 DPPE C214 CTL2 -0.180000 12.0110 0 2369 DPE 20 DPPE H14R HAL2 0.090000 1.0080 0 2370 DPE 20 DPPE H14S HAL2 0.090000 1.0080 0 2371 DPE 20 DPPE C215 CTL2 -0.180000 12.0110 0 2372 DPE 20 DPPE H15R HAL2 0.090000 1.0080 0 2373 DPE 20 DPPE H15S HAL2 0.090000 1.0080 0 2374 DPE 20 DPPE C216 CTL3 -0.270000 12.0110 0 2375 DPE 20 DPPE H16R HAL3 0.090000 1.0080 0 2376 DPE 20 DPPE H16S HAL3 0.090000 1.0080 0 2377 DPE 20 DPPE H16T HAL3 0.090000 1.0080 0 2378 DPE 20 DPPE C33 CTL2 -0.180000 12.0110 0 2379 DPE 20 DPPE H3X HAL2 0.090000 1.0080 0 2380 DPE 20 DPPE H3Y HAL2 0.090000 1.0080 0 2381 DPE 20 DPPE C34 CTL2 -0.180000 12.0110 0 2382 DPE 20 DPPE H4X HAL2 0.090000 1.0080 0 2383 DPE 20 DPPE H4Y HAL2 0.090000 1.0080 0 2384 DPE 20 DPPE C35 CTL2 -0.180000 12.0110 0 2385 DPE 20 DPPE H5X HAL2 0.090000 1.0080 0 2386 DPE 20 DPPE H5Y HAL2 0.090000 1.0080 0 2387 DPE 20 DPPE C36 CTL2 -0.180000 12.0110 0 2388 DPE 20 DPPE H6X HAL2 0.090000 1.0080 0 2389 DPE 20 DPPE H6Y HAL2 0.090000 1.0080 0 2390 DPE 20 DPPE C37 CTL2 -0.180000 12.0110 0 2391 DPE 20 DPPE H7X HAL2 0.090000 1.0080 0 2392 DPE 20 DPPE H7Y HAL2 0.090000 1.0080 0 2393 DPE 20 DPPE C38 CTL2 -0.180000 12.0110 0 2394 DPE 20 DPPE H8X HAL2 0.090000 1.0080 0 2395 DPE 20 DPPE H8Y HAL2 0.090000 1.0080 0 2396 DPE 20 DPPE C39 CTL2 -0.180000 12.0110 0 2397 DPE 20 DPPE H9X HAL2 0.090000 1.0080 0 2398 DPE 20 DPPE H9Y HAL2 0.090000 1.0080 0 2399 DPE 20 DPPE C310 CTL2 -0.180000 12.0110 0 2400 DPE 20 DPPE H10X HAL2 0.090000 1.0080 0 2401 DPE 20 DPPE H10Y HAL2 0.090000 1.0080 0 2402 DPE 20 DPPE C311 CTL2 -0.180000 12.0110 0 2403 DPE 20 DPPE H11X HAL2 0.090000 1.0080 0 2404 DPE 20 DPPE H11Y HAL2 0.090000 1.0080 0 2405 DPE 20 DPPE C312 CTL2 -0.180000 12.0110 0 2406 DPE 20 DPPE H12X HAL2 0.090000 1.0080 0 2407 DPE 20 DPPE H12Y HAL2 0.090000 1.0080 0 2408 DPE 20 DPPE C313 CTL2 -0.180000 12.0110 0 2409 DPE 20 DPPE H13X HAL2 0.090000 1.0080 0 2410 DPE 20 DPPE H13Y HAL2 0.090000 1.0080 0 2411 DPE 20 DPPE C314 CTL2 -0.180000 12.0110 0 2412 DPE 20 DPPE H14X HAL2 0.090000 1.0080 0 2413 DPE 20 DPPE H14Y HAL2 0.090000 1.0080 0 2414 DPE 20 DPPE C315 CTL2 -0.180000 12.0110 0 2415 DPE 20 DPPE H15X HAL2 0.090000 1.0080 0 2416 DPE 20 DPPE H15Y HAL2 0.090000 1.0080 0 2417 DPE 20 DPPE C316 CTL3 -0.270000 12.0110 0 2418 DPE 20 DPPE H16X HAL3 0.090000 1.0080 0 2419 DPE 20 DPPE H16Y HAL3 0.090000 1.0080 0 2420 DPE 20 DPPE H16Z HAL3 0.090000 1.0080 0 2421 DPE 21 DPPE N NH3L -0.300000 14.0070 0 2422 DPE 21 DPPE HN1 HCL 0.330000 1.0080 0 2423 DPE 21 DPPE HN2 HCL 0.330000 1.0080 0 2424 DPE 21 DPPE HN3 HCL 0.330000 1.0080 0 2425 DPE 21 DPPE C12 CTL2 0.130000 12.0110 0 2426 DPE 21 DPPE H12A HAL2 0.090000 1.0080 0 2427 DPE 21 DPPE H12B HAL2 0.090000 1.0080 0 2428 DPE 21 DPPE C11 CTL2 -0.080000 12.0110 0 2429 DPE 21 DPPE H11A HAL2 0.090000 1.0080 0 2430 DPE 21 DPPE H11B HAL2 0.090000 1.0080 0 2431 DPE 21 DPPE P PL 1.500000 30.9740 0 2432 DPE 21 DPPE O13 O2L -0.780000 15.9994 0 2433 DPE 21 DPPE O14 O2L -0.780000 15.9994 0 2434 DPE 21 DPPE O11 OSL -0.570000 15.9994 0 2435 DPE 21 DPPE O12 OSL -0.570000 15.9994 0 2436 DPE 21 DPPE C1 CTL2 -0.080000 12.0110 0 2437 DPE 21 DPPE HA HAL2 0.090000 1.0080 0 2438 DPE 21 DPPE HB HAL2 0.090000 1.0080 0 2439 DPE 21 DPPE C2 CTL1 0.040000 12.0110 0 2440 DPE 21 DPPE HS HAL1 0.090000 1.0080 0 2441 DPE 21 DPPE O21 OSL -0.340000 15.9994 0 2442 DPE 21 DPPE C21 CL 0.630000 12.0110 0 2443 DPE 21 DPPE O22 OBL -0.520000 15.9994 0 2444 DPE 21 DPPE C22 CTL2 -0.080000 12.0110 0 2445 DPE 21 DPPE H2R HAL2 0.090000 1.0080 0 2446 DPE 21 DPPE H2S HAL2 0.090000 1.0080 0 2447 DPE 21 DPPE C3 CTL2 -0.050000 12.0110 0 2448 DPE 21 DPPE HX HAL2 0.090000 1.0080 0 2449 DPE 21 DPPE HY HAL2 0.090000 1.0080 0 2450 DPE 21 DPPE O31 OSL -0.340000 15.9994 0 2451 DPE 21 DPPE C31 CL 0.630000 12.0110 0 2452 DPE 21 DPPE O32 OBL -0.520000 15.9994 0 2453 DPE 21 DPPE C32 CTL2 -0.080000 12.0110 0 2454 DPE 21 DPPE H2X HAL2 0.090000 1.0080 0 2455 DPE 21 DPPE H2Y HAL2 0.090000 1.0080 0 2456 DPE 21 DPPE C23 CTL2 -0.180000 12.0110 0 2457 DPE 21 DPPE H3R HAL2 0.090000 1.0080 0 2458 DPE 21 DPPE H3S HAL2 0.090000 1.0080 0 2459 DPE 21 DPPE C24 CTL2 -0.180000 12.0110 0 2460 DPE 21 DPPE H4R HAL2 0.090000 1.0080 0 2461 DPE 21 DPPE H4S HAL2 0.090000 1.0080 0 2462 DPE 21 DPPE C25 CTL2 -0.180000 12.0110 0 2463 DPE 21 DPPE H5R HAL2 0.090000 1.0080 0 2464 DPE 21 DPPE H5S HAL2 0.090000 1.0080 0 2465 DPE 21 DPPE C26 CTL2 -0.180000 12.0110 0 2466 DPE 21 DPPE H6R HAL2 0.090000 1.0080 0 2467 DPE 21 DPPE H6S HAL2 0.090000 1.0080 0 2468 DPE 21 DPPE C27 CTL2 -0.180000 12.0110 0 2469 DPE 21 DPPE H7R HAL2 0.090000 1.0080 0 2470 DPE 21 DPPE H7S HAL2 0.090000 1.0080 0 2471 DPE 21 DPPE C28 CTL2 -0.180000 12.0110 0 2472 DPE 21 DPPE H8R HAL2 0.090000 1.0080 0 2473 DPE 21 DPPE H8S HAL2 0.090000 1.0080 0 2474 DPE 21 DPPE C29 CTL2 -0.180000 12.0110 0 2475 DPE 21 DPPE H9R HAL2 0.090000 1.0080 0 2476 DPE 21 DPPE H9S HAL2 0.090000 1.0080 0 2477 DPE 21 DPPE C210 CTL2 -0.180000 12.0110 0 2478 DPE 21 DPPE H10R HAL2 0.090000 1.0080 0 2479 DPE 21 DPPE H10S HAL2 0.090000 1.0080 0 2480 DPE 21 DPPE C211 CTL2 -0.180000 12.0110 0 2481 DPE 21 DPPE H11R HAL2 0.090000 1.0080 0 2482 DPE 21 DPPE H11S HAL2 0.090000 1.0080 0 2483 DPE 21 DPPE C212 CTL2 -0.180000 12.0110 0 2484 DPE 21 DPPE H12R HAL2 0.090000 1.0080 0 2485 DPE 21 DPPE H12S HAL2 0.090000 1.0080 0 2486 DPE 21 DPPE C213 CTL2 -0.180000 12.0110 0 2487 DPE 21 DPPE H13R HAL2 0.090000 1.0080 0 2488 DPE 21 DPPE H13S HAL2 0.090000 1.0080 0 2489 DPE 21 DPPE C214 CTL2 -0.180000 12.0110 0 2490 DPE 21 DPPE H14R HAL2 0.090000 1.0080 0 2491 DPE 21 DPPE H14S HAL2 0.090000 1.0080 0 2492 DPE 21 DPPE C215 CTL2 -0.180000 12.0110 0 2493 DPE 21 DPPE H15R HAL2 0.090000 1.0080 0 2494 DPE 21 DPPE H15S HAL2 0.090000 1.0080 0 2495 DPE 21 DPPE C216 CTL3 -0.270000 12.0110 0 2496 DPE 21 DPPE H16R HAL3 0.090000 1.0080 0 2497 DPE 21 DPPE H16S HAL3 0.090000 1.0080 0 2498 DPE 21 DPPE H16T HAL3 0.090000 1.0080 0 2499 DPE 21 DPPE C33 CTL2 -0.180000 12.0110 0 2500 DPE 21 DPPE H3X HAL2 0.090000 1.0080 0 2501 DPE 21 DPPE H3Y HAL2 0.090000 1.0080 0 2502 DPE 21 DPPE C34 CTL2 -0.180000 12.0110 0 2503 DPE 21 DPPE H4X HAL2 0.090000 1.0080 0 2504 DPE 21 DPPE H4Y HAL2 0.090000 1.0080 0 2505 DPE 21 DPPE C35 CTL2 -0.180000 12.0110 0 2506 DPE 21 DPPE H5X HAL2 0.090000 1.0080 0 2507 DPE 21 DPPE H5Y HAL2 0.090000 1.0080 0 2508 DPE 21 DPPE C36 CTL2 -0.180000 12.0110 0 2509 DPE 21 DPPE H6X HAL2 0.090000 1.0080 0 2510 DPE 21 DPPE H6Y HAL2 0.090000 1.0080 0 2511 DPE 21 DPPE C37 CTL2 -0.180000 12.0110 0 2512 DPE 21 DPPE H7X HAL2 0.090000 1.0080 0 2513 DPE 21 DPPE H7Y HAL2 0.090000 1.0080 0 2514 DPE 21 DPPE C38 CTL2 -0.180000 12.0110 0 2515 DPE 21 DPPE H8X HAL2 0.090000 1.0080 0 2516 DPE 21 DPPE H8Y HAL2 0.090000 1.0080 0 2517 DPE 21 DPPE C39 CTL2 -0.180000 12.0110 0 2518 DPE 21 DPPE H9X HAL2 0.090000 1.0080 0 2519 DPE 21 DPPE H9Y HAL2 0.090000 1.0080 0 2520 DPE 21 DPPE C310 CTL2 -0.180000 12.0110 0 2521 DPE 21 DPPE H10X HAL2 0.090000 1.0080 0 2522 DPE 21 DPPE H10Y HAL2 0.090000 1.0080 0 2523 DPE 21 DPPE C311 CTL2 -0.180000 12.0110 0 2524 DPE 21 DPPE H11X HAL2 0.090000 1.0080 0 2525 DPE 21 DPPE H11Y HAL2 0.090000 1.0080 0 2526 DPE 21 DPPE C312 CTL2 -0.180000 12.0110 0 2527 DPE 21 DPPE H12X HAL2 0.090000 1.0080 0 2528 DPE 21 DPPE H12Y HAL2 0.090000 1.0080 0 2529 DPE 21 DPPE C313 CTL2 -0.180000 12.0110 0 2530 DPE 21 DPPE H13X HAL2 0.090000 1.0080 0 2531 DPE 21 DPPE H13Y HAL2 0.090000 1.0080 0 2532 DPE 21 DPPE C314 CTL2 -0.180000 12.0110 0 2533 DPE 21 DPPE H14X HAL2 0.090000 1.0080 0 2534 DPE 21 DPPE H14Y HAL2 0.090000 1.0080 0 2535 DPE 21 DPPE C315 CTL2 -0.180000 12.0110 0 2536 DPE 21 DPPE H15X HAL2 0.090000 1.0080 0 2537 DPE 21 DPPE H15Y HAL2 0.090000 1.0080 0 2538 DPE 21 DPPE C316 CTL3 -0.270000 12.0110 0 2539 DPE 21 DPPE H16X HAL3 0.090000 1.0080 0 2540 DPE 21 DPPE H16Y HAL3 0.090000 1.0080 0 2541 DPE 21 DPPE H16Z HAL3 0.090000 1.0080 0 2542 DPE 22 DPPE N NH3L -0.300000 14.0070 0 2543 DPE 22 DPPE HN1 HCL 0.330000 1.0080 0 2544 DPE 22 DPPE HN2 HCL 0.330000 1.0080 0 2545 DPE 22 DPPE HN3 HCL 0.330000 1.0080 0 2546 DPE 22 DPPE C12 CTL2 0.130000 12.0110 0 2547 DPE 22 DPPE H12A HAL2 0.090000 1.0080 0 2548 DPE 22 DPPE H12B HAL2 0.090000 1.0080 0 2549 DPE 22 DPPE C11 CTL2 -0.080000 12.0110 0 2550 DPE 22 DPPE H11A HAL2 0.090000 1.0080 0 2551 DPE 22 DPPE H11B HAL2 0.090000 1.0080 0 2552 DPE 22 DPPE P PL 1.500000 30.9740 0 2553 DPE 22 DPPE O13 O2L -0.780000 15.9994 0 2554 DPE 22 DPPE O14 O2L -0.780000 15.9994 0 2555 DPE 22 DPPE O11 OSL -0.570000 15.9994 0 2556 DPE 22 DPPE O12 OSL -0.570000 15.9994 0 2557 DPE 22 DPPE C1 CTL2 -0.080000 12.0110 0 2558 DPE 22 DPPE HA HAL2 0.090000 1.0080 0 2559 DPE 22 DPPE HB HAL2 0.090000 1.0080 0 2560 DPE 22 DPPE C2 CTL1 0.040000 12.0110 0 2561 DPE 22 DPPE HS HAL1 0.090000 1.0080 0 2562 DPE 22 DPPE O21 OSL -0.340000 15.9994 0 2563 DPE 22 DPPE C21 CL 0.630000 12.0110 0 2564 DPE 22 DPPE O22 OBL -0.520000 15.9994 0 2565 DPE 22 DPPE C22 CTL2 -0.080000 12.0110 0 2566 DPE 22 DPPE H2R HAL2 0.090000 1.0080 0 2567 DPE 22 DPPE H2S HAL2 0.090000 1.0080 0 2568 DPE 22 DPPE C3 CTL2 -0.050000 12.0110 0 2569 DPE 22 DPPE HX HAL2 0.090000 1.0080 0 2570 DPE 22 DPPE HY HAL2 0.090000 1.0080 0 2571 DPE 22 DPPE O31 OSL -0.340000 15.9994 0 2572 DPE 22 DPPE C31 CL 0.630000 12.0110 0 2573 DPE 22 DPPE O32 OBL -0.520000 15.9994 0 2574 DPE 22 DPPE C32 CTL2 -0.080000 12.0110 0 2575 DPE 22 DPPE H2X HAL2 0.090000 1.0080 0 2576 DPE 22 DPPE H2Y HAL2 0.090000 1.0080 0 2577 DPE 22 DPPE C23 CTL2 -0.180000 12.0110 0 2578 DPE 22 DPPE H3R HAL2 0.090000 1.0080 0 2579 DPE 22 DPPE H3S HAL2 0.090000 1.0080 0 2580 DPE 22 DPPE C24 CTL2 -0.180000 12.0110 0 2581 DPE 22 DPPE H4R HAL2 0.090000 1.0080 0 2582 DPE 22 DPPE H4S HAL2 0.090000 1.0080 0 2583 DPE 22 DPPE C25 CTL2 -0.180000 12.0110 0 2584 DPE 22 DPPE H5R HAL2 0.090000 1.0080 0 2585 DPE 22 DPPE H5S HAL2 0.090000 1.0080 0 2586 DPE 22 DPPE C26 CTL2 -0.180000 12.0110 0 2587 DPE 22 DPPE H6R HAL2 0.090000 1.0080 0 2588 DPE 22 DPPE H6S HAL2 0.090000 1.0080 0 2589 DPE 22 DPPE C27 CTL2 -0.180000 12.0110 0 2590 DPE 22 DPPE H7R HAL2 0.090000 1.0080 0 2591 DPE 22 DPPE H7S HAL2 0.090000 1.0080 0 2592 DPE 22 DPPE C28 CTL2 -0.180000 12.0110 0 2593 DPE 22 DPPE H8R HAL2 0.090000 1.0080 0 2594 DPE 22 DPPE H8S HAL2 0.090000 1.0080 0 2595 DPE 22 DPPE C29 CTL2 -0.180000 12.0110 0 2596 DPE 22 DPPE H9R HAL2 0.090000 1.0080 0 2597 DPE 22 DPPE H9S HAL2 0.090000 1.0080 0 2598 DPE 22 DPPE C210 CTL2 -0.180000 12.0110 0 2599 DPE 22 DPPE H10R HAL2 0.090000 1.0080 0 2600 DPE 22 DPPE H10S HAL2 0.090000 1.0080 0 2601 DPE 22 DPPE C211 CTL2 -0.180000 12.0110 0 2602 DPE 22 DPPE H11R HAL2 0.090000 1.0080 0 2603 DPE 22 DPPE H11S HAL2 0.090000 1.0080 0 2604 DPE 22 DPPE C212 CTL2 -0.180000 12.0110 0 2605 DPE 22 DPPE H12R HAL2 0.090000 1.0080 0 2606 DPE 22 DPPE H12S HAL2 0.090000 1.0080 0 2607 DPE 22 DPPE C213 CTL2 -0.180000 12.0110 0 2608 DPE 22 DPPE H13R HAL2 0.090000 1.0080 0 2609 DPE 22 DPPE H13S HAL2 0.090000 1.0080 0 2610 DPE 22 DPPE C214 CTL2 -0.180000 12.0110 0 2611 DPE 22 DPPE H14R HAL2 0.090000 1.0080 0 2612 DPE 22 DPPE H14S HAL2 0.090000 1.0080 0 2613 DPE 22 DPPE C215 CTL2 -0.180000 12.0110 0 2614 DPE 22 DPPE H15R HAL2 0.090000 1.0080 0 2615 DPE 22 DPPE H15S HAL2 0.090000 1.0080 0 2616 DPE 22 DPPE C216 CTL3 -0.270000 12.0110 0 2617 DPE 22 DPPE H16R HAL3 0.090000 1.0080 0 2618 DPE 22 DPPE H16S HAL3 0.090000 1.0080 0 2619 DPE 22 DPPE H16T HAL3 0.090000 1.0080 0 2620 DPE 22 DPPE C33 CTL2 -0.180000 12.0110 0 2621 DPE 22 DPPE H3X HAL2 0.090000 1.0080 0 2622 DPE 22 DPPE H3Y HAL2 0.090000 1.0080 0 2623 DPE 22 DPPE C34 CTL2 -0.180000 12.0110 0 2624 DPE 22 DPPE H4X HAL2 0.090000 1.0080 0 2625 DPE 22 DPPE H4Y HAL2 0.090000 1.0080 0 2626 DPE 22 DPPE C35 CTL2 -0.180000 12.0110 0 2627 DPE 22 DPPE H5X HAL2 0.090000 1.0080 0 2628 DPE 22 DPPE H5Y HAL2 0.090000 1.0080 0 2629 DPE 22 DPPE C36 CTL2 -0.180000 12.0110 0 2630 DPE 22 DPPE H6X HAL2 0.090000 1.0080 0 2631 DPE 22 DPPE H6Y HAL2 0.090000 1.0080 0 2632 DPE 22 DPPE C37 CTL2 -0.180000 12.0110 0 2633 DPE 22 DPPE H7X HAL2 0.090000 1.0080 0 2634 DPE 22 DPPE H7Y HAL2 0.090000 1.0080 0 2635 DPE 22 DPPE C38 CTL2 -0.180000 12.0110 0 2636 DPE 22 DPPE H8X HAL2 0.090000 1.0080 0 2637 DPE 22 DPPE H8Y HAL2 0.090000 1.0080 0 2638 DPE 22 DPPE C39 CTL2 -0.180000 12.0110 0 2639 DPE 22 DPPE H9X HAL2 0.090000 1.0080 0 2640 DPE 22 DPPE H9Y HAL2 0.090000 1.0080 0 2641 DPE 22 DPPE C310 CTL2 -0.180000 12.0110 0 2642 DPE 22 DPPE H10X HAL2 0.090000 1.0080 0 2643 DPE 22 DPPE H10Y HAL2 0.090000 1.0080 0 2644 DPE 22 DPPE C311 CTL2 -0.180000 12.0110 0 2645 DPE 22 DPPE H11X HAL2 0.090000 1.0080 0 2646 DPE 22 DPPE H11Y HAL2 0.090000 1.0080 0 2647 DPE 22 DPPE C312 CTL2 -0.180000 12.0110 0 2648 DPE 22 DPPE H12X HAL2 0.090000 1.0080 0 2649 DPE 22 DPPE H12Y HAL2 0.090000 1.0080 0 2650 DPE 22 DPPE C313 CTL2 -0.180000 12.0110 0 2651 DPE 22 DPPE H13X HAL2 0.090000 1.0080 0 2652 DPE 22 DPPE H13Y HAL2 0.090000 1.0080 0 2653 DPE 22 DPPE C314 CTL2 -0.180000 12.0110 0 2654 DPE 22 DPPE H14X HAL2 0.090000 1.0080 0 2655 DPE 22 DPPE H14Y HAL2 0.090000 1.0080 0 2656 DPE 22 DPPE C315 CTL2 -0.180000 12.0110 0 2657 DPE 22 DPPE H15X HAL2 0.090000 1.0080 0 2658 DPE 22 DPPE H15Y HAL2 0.090000 1.0080 0 2659 DPE 22 DPPE C316 CTL3 -0.270000 12.0110 0 2660 DPE 22 DPPE H16X HAL3 0.090000 1.0080 0 2661 DPE 22 DPPE H16Y HAL3 0.090000 1.0080 0 2662 DPE 22 DPPE H16Z HAL3 0.090000 1.0080 0 2663 DPE 23 DPPE N NH3L -0.300000 14.0070 0 2664 DPE 23 DPPE HN1 HCL 0.330000 1.0080 0 2665 DPE 23 DPPE HN2 HCL 0.330000 1.0080 0 2666 DPE 23 DPPE HN3 HCL 0.330000 1.0080 0 2667 DPE 23 DPPE C12 CTL2 0.130000 12.0110 0 2668 DPE 23 DPPE H12A HAL2 0.090000 1.0080 0 2669 DPE 23 DPPE H12B HAL2 0.090000 1.0080 0 2670 DPE 23 DPPE C11 CTL2 -0.080000 12.0110 0 2671 DPE 23 DPPE H11A HAL2 0.090000 1.0080 0 2672 DPE 23 DPPE H11B HAL2 0.090000 1.0080 0 2673 DPE 23 DPPE P PL 1.500000 30.9740 0 2674 DPE 23 DPPE O13 O2L -0.780000 15.9994 0 2675 DPE 23 DPPE O14 O2L -0.780000 15.9994 0 2676 DPE 23 DPPE O11 OSL -0.570000 15.9994 0 2677 DPE 23 DPPE O12 OSL -0.570000 15.9994 0 2678 DPE 23 DPPE C1 CTL2 -0.080000 12.0110 0 2679 DPE 23 DPPE HA HAL2 0.090000 1.0080 0 2680 DPE 23 DPPE HB HAL2 0.090000 1.0080 0 2681 DPE 23 DPPE C2 CTL1 0.040000 12.0110 0 2682 DPE 23 DPPE HS HAL1 0.090000 1.0080 0 2683 DPE 23 DPPE O21 OSL -0.340000 15.9994 0 2684 DPE 23 DPPE C21 CL 0.630000 12.0110 0 2685 DPE 23 DPPE O22 OBL -0.520000 15.9994 0 2686 DPE 23 DPPE C22 CTL2 -0.080000 12.0110 0 2687 DPE 23 DPPE H2R HAL2 0.090000 1.0080 0 2688 DPE 23 DPPE H2S HAL2 0.090000 1.0080 0 2689 DPE 23 DPPE C3 CTL2 -0.050000 12.0110 0 2690 DPE 23 DPPE HX HAL2 0.090000 1.0080 0 2691 DPE 23 DPPE HY HAL2 0.090000 1.0080 0 2692 DPE 23 DPPE O31 OSL -0.340000 15.9994 0 2693 DPE 23 DPPE C31 CL 0.630000 12.0110 0 2694 DPE 23 DPPE O32 OBL -0.520000 15.9994 0 2695 DPE 23 DPPE C32 CTL2 -0.080000 12.0110 0 2696 DPE 23 DPPE H2X HAL2 0.090000 1.0080 0 2697 DPE 23 DPPE H2Y HAL2 0.090000 1.0080 0 2698 DPE 23 DPPE C23 CTL2 -0.180000 12.0110 0 2699 DPE 23 DPPE H3R HAL2 0.090000 1.0080 0 2700 DPE 23 DPPE H3S HAL2 0.090000 1.0080 0 2701 DPE 23 DPPE C24 CTL2 -0.180000 12.0110 0 2702 DPE 23 DPPE H4R HAL2 0.090000 1.0080 0 2703 DPE 23 DPPE H4S HAL2 0.090000 1.0080 0 2704 DPE 23 DPPE C25 CTL2 -0.180000 12.0110 0 2705 DPE 23 DPPE H5R HAL2 0.090000 1.0080 0 2706 DPE 23 DPPE H5S HAL2 0.090000 1.0080 0 2707 DPE 23 DPPE C26 CTL2 -0.180000 12.0110 0 2708 DPE 23 DPPE H6R HAL2 0.090000 1.0080 0 2709 DPE 23 DPPE H6S HAL2 0.090000 1.0080 0 2710 DPE 23 DPPE C27 CTL2 -0.180000 12.0110 0 2711 DPE 23 DPPE H7R HAL2 0.090000 1.0080 0 2712 DPE 23 DPPE H7S HAL2 0.090000 1.0080 0 2713 DPE 23 DPPE C28 CTL2 -0.180000 12.0110 0 2714 DPE 23 DPPE H8R HAL2 0.090000 1.0080 0 2715 DPE 23 DPPE H8S HAL2 0.090000 1.0080 0 2716 DPE 23 DPPE C29 CTL2 -0.180000 12.0110 0 2717 DPE 23 DPPE H9R HAL2 0.090000 1.0080 0 2718 DPE 23 DPPE H9S HAL2 0.090000 1.0080 0 2719 DPE 23 DPPE C210 CTL2 -0.180000 12.0110 0 2720 DPE 23 DPPE H10R HAL2 0.090000 1.0080 0 2721 DPE 23 DPPE H10S HAL2 0.090000 1.0080 0 2722 DPE 23 DPPE C211 CTL2 -0.180000 12.0110 0 2723 DPE 23 DPPE H11R HAL2 0.090000 1.0080 0 2724 DPE 23 DPPE H11S HAL2 0.090000 1.0080 0 2725 DPE 23 DPPE C212 CTL2 -0.180000 12.0110 0 2726 DPE 23 DPPE H12R HAL2 0.090000 1.0080 0 2727 DPE 23 DPPE H12S HAL2 0.090000 1.0080 0 2728 DPE 23 DPPE C213 CTL2 -0.180000 12.0110 0 2729 DPE 23 DPPE H13R HAL2 0.090000 1.0080 0 2730 DPE 23 DPPE H13S HAL2 0.090000 1.0080 0 2731 DPE 23 DPPE C214 CTL2 -0.180000 12.0110 0 2732 DPE 23 DPPE H14R HAL2 0.090000 1.0080 0 2733 DPE 23 DPPE H14S HAL2 0.090000 1.0080 0 2734 DPE 23 DPPE C215 CTL2 -0.180000 12.0110 0 2735 DPE 23 DPPE H15R HAL2 0.090000 1.0080 0 2736 DPE 23 DPPE H15S HAL2 0.090000 1.0080 0 2737 DPE 23 DPPE C216 CTL3 -0.270000 12.0110 0 2738 DPE 23 DPPE H16R HAL3 0.090000 1.0080 0 2739 DPE 23 DPPE H16S HAL3 0.090000 1.0080 0 2740 DPE 23 DPPE H16T HAL3 0.090000 1.0080 0 2741 DPE 23 DPPE C33 CTL2 -0.180000 12.0110 0 2742 DPE 23 DPPE H3X HAL2 0.090000 1.0080 0 2743 DPE 23 DPPE H3Y HAL2 0.090000 1.0080 0 2744 DPE 23 DPPE C34 CTL2 -0.180000 12.0110 0 2745 DPE 23 DPPE H4X HAL2 0.090000 1.0080 0 2746 DPE 23 DPPE H4Y HAL2 0.090000 1.0080 0 2747 DPE 23 DPPE C35 CTL2 -0.180000 12.0110 0 2748 DPE 23 DPPE H5X HAL2 0.090000 1.0080 0 2749 DPE 23 DPPE H5Y HAL2 0.090000 1.0080 0 2750 DPE 23 DPPE C36 CTL2 -0.180000 12.0110 0 2751 DPE 23 DPPE H6X HAL2 0.090000 1.0080 0 2752 DPE 23 DPPE H6Y HAL2 0.090000 1.0080 0 2753 DPE 23 DPPE C37 CTL2 -0.180000 12.0110 0 2754 DPE 23 DPPE H7X HAL2 0.090000 1.0080 0 2755 DPE 23 DPPE H7Y HAL2 0.090000 1.0080 0 2756 DPE 23 DPPE C38 CTL2 -0.180000 12.0110 0 2757 DPE 23 DPPE H8X HAL2 0.090000 1.0080 0 2758 DPE 23 DPPE H8Y HAL2 0.090000 1.0080 0 2759 DPE 23 DPPE C39 CTL2 -0.180000 12.0110 0 2760 DPE 23 DPPE H9X HAL2 0.090000 1.0080 0 2761 DPE 23 DPPE H9Y HAL2 0.090000 1.0080 0 2762 DPE 23 DPPE C310 CTL2 -0.180000 12.0110 0 2763 DPE 23 DPPE H10X HAL2 0.090000 1.0080 0 2764 DPE 23 DPPE H10Y HAL2 0.090000 1.0080 0 2765 DPE 23 DPPE C311 CTL2 -0.180000 12.0110 0 2766 DPE 23 DPPE H11X HAL2 0.090000 1.0080 0 2767 DPE 23 DPPE H11Y HAL2 0.090000 1.0080 0 2768 DPE 23 DPPE C312 CTL2 -0.180000 12.0110 0 2769 DPE 23 DPPE H12X HAL2 0.090000 1.0080 0 2770 DPE 23 DPPE H12Y HAL2 0.090000 1.0080 0 2771 DPE 23 DPPE C313 CTL2 -0.180000 12.0110 0 2772 DPE 23 DPPE H13X HAL2 0.090000 1.0080 0 2773 DPE 23 DPPE H13Y HAL2 0.090000 1.0080 0 2774 DPE 23 DPPE C314 CTL2 -0.180000 12.0110 0 2775 DPE 23 DPPE H14X HAL2 0.090000 1.0080 0 2776 DPE 23 DPPE H14Y HAL2 0.090000 1.0080 0 2777 DPE 23 DPPE C315 CTL2 -0.180000 12.0110 0 2778 DPE 23 DPPE H15X HAL2 0.090000 1.0080 0 2779 DPE 23 DPPE H15Y HAL2 0.090000 1.0080 0 2780 DPE 23 DPPE C316 CTL3 -0.270000 12.0110 0 2781 DPE 23 DPPE H16X HAL3 0.090000 1.0080 0 2782 DPE 23 DPPE H16Y HAL3 0.090000 1.0080 0 2783 DPE 23 DPPE H16Z HAL3 0.090000 1.0080 0 2784 DPE 24 DPPE N NH3L -0.300000 14.0070 0 2785 DPE 24 DPPE HN1 HCL 0.330000 1.0080 0 2786 DPE 24 DPPE HN2 HCL 0.330000 1.0080 0 2787 DPE 24 DPPE HN3 HCL 0.330000 1.0080 0 2788 DPE 24 DPPE C12 CTL2 0.130000 12.0110 0 2789 DPE 24 DPPE H12A HAL2 0.090000 1.0080 0 2790 DPE 24 DPPE H12B HAL2 0.090000 1.0080 0 2791 DPE 24 DPPE C11 CTL2 -0.080000 12.0110 0 2792 DPE 24 DPPE H11A HAL2 0.090000 1.0080 0 2793 DPE 24 DPPE H11B HAL2 0.090000 1.0080 0 2794 DPE 24 DPPE P PL 1.500000 30.9740 0 2795 DPE 24 DPPE O13 O2L -0.780000 15.9994 0 2796 DPE 24 DPPE O14 O2L -0.780000 15.9994 0 2797 DPE 24 DPPE O11 OSL -0.570000 15.9994 0 2798 DPE 24 DPPE O12 OSL -0.570000 15.9994 0 2799 DPE 24 DPPE C1 CTL2 -0.080000 12.0110 0 2800 DPE 24 DPPE HA HAL2 0.090000 1.0080 0 2801 DPE 24 DPPE HB HAL2 0.090000 1.0080 0 2802 DPE 24 DPPE C2 CTL1 0.040000 12.0110 0 2803 DPE 24 DPPE HS HAL1 0.090000 1.0080 0 2804 DPE 24 DPPE O21 OSL -0.340000 15.9994 0 2805 DPE 24 DPPE C21 CL 0.630000 12.0110 0 2806 DPE 24 DPPE O22 OBL -0.520000 15.9994 0 2807 DPE 24 DPPE C22 CTL2 -0.080000 12.0110 0 2808 DPE 24 DPPE H2R HAL2 0.090000 1.0080 0 2809 DPE 24 DPPE H2S HAL2 0.090000 1.0080 0 2810 DPE 24 DPPE C3 CTL2 -0.050000 12.0110 0 2811 DPE 24 DPPE HX HAL2 0.090000 1.0080 0 2812 DPE 24 DPPE HY HAL2 0.090000 1.0080 0 2813 DPE 24 DPPE O31 OSL -0.340000 15.9994 0 2814 DPE 24 DPPE C31 CL 0.630000 12.0110 0 2815 DPE 24 DPPE O32 OBL -0.520000 15.9994 0 2816 DPE 24 DPPE C32 CTL2 -0.080000 12.0110 0 2817 DPE 24 DPPE H2X HAL2 0.090000 1.0080 0 2818 DPE 24 DPPE H2Y HAL2 0.090000 1.0080 0 2819 DPE 24 DPPE C23 CTL2 -0.180000 12.0110 0 2820 DPE 24 DPPE H3R HAL2 0.090000 1.0080 0 2821 DPE 24 DPPE H3S HAL2 0.090000 1.0080 0 2822 DPE 24 DPPE C24 CTL2 -0.180000 12.0110 0 2823 DPE 24 DPPE H4R HAL2 0.090000 1.0080 0 2824 DPE 24 DPPE H4S HAL2 0.090000 1.0080 0 2825 DPE 24 DPPE C25 CTL2 -0.180000 12.0110 0 2826 DPE 24 DPPE H5R HAL2 0.090000 1.0080 0 2827 DPE 24 DPPE H5S HAL2 0.090000 1.0080 0 2828 DPE 24 DPPE C26 CTL2 -0.180000 12.0110 0 2829 DPE 24 DPPE H6R HAL2 0.090000 1.0080 0 2830 DPE 24 DPPE H6S HAL2 0.090000 1.0080 0 2831 DPE 24 DPPE C27 CTL2 -0.180000 12.0110 0 2832 DPE 24 DPPE H7R HAL2 0.090000 1.0080 0 2833 DPE 24 DPPE H7S HAL2 0.090000 1.0080 0 2834 DPE 24 DPPE C28 CTL2 -0.180000 12.0110 0 2835 DPE 24 DPPE H8R HAL2 0.090000 1.0080 0 2836 DPE 24 DPPE H8S HAL2 0.090000 1.0080 0 2837 DPE 24 DPPE C29 CTL2 -0.180000 12.0110 0 2838 DPE 24 DPPE H9R HAL2 0.090000 1.0080 0 2839 DPE 24 DPPE H9S HAL2 0.090000 1.0080 0 2840 DPE 24 DPPE C210 CTL2 -0.180000 12.0110 0 2841 DPE 24 DPPE H10R HAL2 0.090000 1.0080 0 2842 DPE 24 DPPE H10S HAL2 0.090000 1.0080 0 2843 DPE 24 DPPE C211 CTL2 -0.180000 12.0110 0 2844 DPE 24 DPPE H11R HAL2 0.090000 1.0080 0 2845 DPE 24 DPPE H11S HAL2 0.090000 1.0080 0 2846 DPE 24 DPPE C212 CTL2 -0.180000 12.0110 0 2847 DPE 24 DPPE H12R HAL2 0.090000 1.0080 0 2848 DPE 24 DPPE H12S HAL2 0.090000 1.0080 0 2849 DPE 24 DPPE C213 CTL2 -0.180000 12.0110 0 2850 DPE 24 DPPE H13R HAL2 0.090000 1.0080 0 2851 DPE 24 DPPE H13S HAL2 0.090000 1.0080 0 2852 DPE 24 DPPE C214 CTL2 -0.180000 12.0110 0 2853 DPE 24 DPPE H14R HAL2 0.090000 1.0080 0 2854 DPE 24 DPPE H14S HAL2 0.090000 1.0080 0 2855 DPE 24 DPPE C215 CTL2 -0.180000 12.0110 0 2856 DPE 24 DPPE H15R HAL2 0.090000 1.0080 0 2857 DPE 24 DPPE H15S HAL2 0.090000 1.0080 0 2858 DPE 24 DPPE C216 CTL3 -0.270000 12.0110 0 2859 DPE 24 DPPE H16R HAL3 0.090000 1.0080 0 2860 DPE 24 DPPE H16S HAL3 0.090000 1.0080 0 2861 DPE 24 DPPE H16T HAL3 0.090000 1.0080 0 2862 DPE 24 DPPE C33 CTL2 -0.180000 12.0110 0 2863 DPE 24 DPPE H3X HAL2 0.090000 1.0080 0 2864 DPE 24 DPPE H3Y HAL2 0.090000 1.0080 0 2865 DPE 24 DPPE C34 CTL2 -0.180000 12.0110 0 2866 DPE 24 DPPE H4X HAL2 0.090000 1.0080 0 2867 DPE 24 DPPE H4Y HAL2 0.090000 1.0080 0 2868 DPE 24 DPPE C35 CTL2 -0.180000 12.0110 0 2869 DPE 24 DPPE H5X HAL2 0.090000 1.0080 0 2870 DPE 24 DPPE H5Y HAL2 0.090000 1.0080 0 2871 DPE 24 DPPE C36 CTL2 -0.180000 12.0110 0 2872 DPE 24 DPPE H6X HAL2 0.090000 1.0080 0 2873 DPE 24 DPPE H6Y HAL2 0.090000 1.0080 0 2874 DPE 24 DPPE C37 CTL2 -0.180000 12.0110 0 2875 DPE 24 DPPE H7X HAL2 0.090000 1.0080 0 2876 DPE 24 DPPE H7Y HAL2 0.090000 1.0080 0 2877 DPE 24 DPPE C38 CTL2 -0.180000 12.0110 0 2878 DPE 24 DPPE H8X HAL2 0.090000 1.0080 0 2879 DPE 24 DPPE H8Y HAL2 0.090000 1.0080 0 2880 DPE 24 DPPE C39 CTL2 -0.180000 12.0110 0 2881 DPE 24 DPPE H9X HAL2 0.090000 1.0080 0 2882 DPE 24 DPPE H9Y HAL2 0.090000 1.0080 0 2883 DPE 24 DPPE C310 CTL2 -0.180000 12.0110 0 2884 DPE 24 DPPE H10X HAL2 0.090000 1.0080 0 2885 DPE 24 DPPE H10Y HAL2 0.090000 1.0080 0 2886 DPE 24 DPPE C311 CTL2 -0.180000 12.0110 0 2887 DPE 24 DPPE H11X HAL2 0.090000 1.0080 0 2888 DPE 24 DPPE H11Y HAL2 0.090000 1.0080 0 2889 DPE 24 DPPE C312 CTL2 -0.180000 12.0110 0 2890 DPE 24 DPPE H12X HAL2 0.090000 1.0080 0 2891 DPE 24 DPPE H12Y HAL2 0.090000 1.0080 0 2892 DPE 24 DPPE C313 CTL2 -0.180000 12.0110 0 2893 DPE 24 DPPE H13X HAL2 0.090000 1.0080 0 2894 DPE 24 DPPE H13Y HAL2 0.090000 1.0080 0 2895 DPE 24 DPPE C314 CTL2 -0.180000 12.0110 0 2896 DPE 24 DPPE H14X HAL2 0.090000 1.0080 0 2897 DPE 24 DPPE H14Y HAL2 0.090000 1.0080 0 2898 DPE 24 DPPE C315 CTL2 -0.180000 12.0110 0 2899 DPE 24 DPPE H15X HAL2 0.090000 1.0080 0 2900 DPE 24 DPPE H15Y HAL2 0.090000 1.0080 0 2901 DPE 24 DPPE C316 CTL3 -0.270000 12.0110 0 2902 DPE 24 DPPE H16X HAL3 0.090000 1.0080 0 2903 DPE 24 DPPE H16Y HAL3 0.090000 1.0080 0 2904 DPE 24 DPPE H16Z HAL3 0.090000 1.0080 0 2905 DPE 25 DPPE N NH3L -0.300000 14.0070 0 2906 DPE 25 DPPE HN1 HCL 0.330000 1.0080 0 2907 DPE 25 DPPE HN2 HCL 0.330000 1.0080 0 2908 DPE 25 DPPE HN3 HCL 0.330000 1.0080 0 2909 DPE 25 DPPE C12 CTL2 0.130000 12.0110 0 2910 DPE 25 DPPE H12A HAL2 0.090000 1.0080 0 2911 DPE 25 DPPE H12B HAL2 0.090000 1.0080 0 2912 DPE 25 DPPE C11 CTL2 -0.080000 12.0110 0 2913 DPE 25 DPPE H11A HAL2 0.090000 1.0080 0 2914 DPE 25 DPPE H11B HAL2 0.090000 1.0080 0 2915 DPE 25 DPPE P PL 1.500000 30.9740 0 2916 DPE 25 DPPE O13 O2L -0.780000 15.9994 0 2917 DPE 25 DPPE O14 O2L -0.780000 15.9994 0 2918 DPE 25 DPPE O11 OSL -0.570000 15.9994 0 2919 DPE 25 DPPE O12 OSL -0.570000 15.9994 0 2920 DPE 25 DPPE C1 CTL2 -0.080000 12.0110 0 2921 DPE 25 DPPE HA HAL2 0.090000 1.0080 0 2922 DPE 25 DPPE HB HAL2 0.090000 1.0080 0 2923 DPE 25 DPPE C2 CTL1 0.040000 12.0110 0 2924 DPE 25 DPPE HS HAL1 0.090000 1.0080 0 2925 DPE 25 DPPE O21 OSL -0.340000 15.9994 0 2926 DPE 25 DPPE C21 CL 0.630000 12.0110 0 2927 DPE 25 DPPE O22 OBL -0.520000 15.9994 0 2928 DPE 25 DPPE C22 CTL2 -0.080000 12.0110 0 2929 DPE 25 DPPE H2R HAL2 0.090000 1.0080 0 2930 DPE 25 DPPE H2S HAL2 0.090000 1.0080 0 2931 DPE 25 DPPE C3 CTL2 -0.050000 12.0110 0 2932 DPE 25 DPPE HX HAL2 0.090000 1.0080 0 2933 DPE 25 DPPE HY HAL2 0.090000 1.0080 0 2934 DPE 25 DPPE O31 OSL -0.340000 15.9994 0 2935 DPE 25 DPPE C31 CL 0.630000 12.0110 0 2936 DPE 25 DPPE O32 OBL -0.520000 15.9994 0 2937 DPE 25 DPPE C32 CTL2 -0.080000 12.0110 0 2938 DPE 25 DPPE H2X HAL2 0.090000 1.0080 0 2939 DPE 25 DPPE H2Y HAL2 0.090000 1.0080 0 2940 DPE 25 DPPE C23 CTL2 -0.180000 12.0110 0 2941 DPE 25 DPPE H3R HAL2 0.090000 1.0080 0 2942 DPE 25 DPPE H3S HAL2 0.090000 1.0080 0 2943 DPE 25 DPPE C24 CTL2 -0.180000 12.0110 0 2944 DPE 25 DPPE H4R HAL2 0.090000 1.0080 0 2945 DPE 25 DPPE H4S HAL2 0.090000 1.0080 0 2946 DPE 25 DPPE C25 CTL2 -0.180000 12.0110 0 2947 DPE 25 DPPE H5R HAL2 0.090000 1.0080 0 2948 DPE 25 DPPE H5S HAL2 0.090000 1.0080 0 2949 DPE 25 DPPE C26 CTL2 -0.180000 12.0110 0 2950 DPE 25 DPPE H6R HAL2 0.090000 1.0080 0 2951 DPE 25 DPPE H6S HAL2 0.090000 1.0080 0 2952 DPE 25 DPPE C27 CTL2 -0.180000 12.0110 0 2953 DPE 25 DPPE H7R HAL2 0.090000 1.0080 0 2954 DPE 25 DPPE H7S HAL2 0.090000 1.0080 0 2955 DPE 25 DPPE C28 CTL2 -0.180000 12.0110 0 2956 DPE 25 DPPE H8R HAL2 0.090000 1.0080 0 2957 DPE 25 DPPE H8S HAL2 0.090000 1.0080 0 2958 DPE 25 DPPE C29 CTL2 -0.180000 12.0110 0 2959 DPE 25 DPPE H9R HAL2 0.090000 1.0080 0 2960 DPE 25 DPPE H9S HAL2 0.090000 1.0080 0 2961 DPE 25 DPPE C210 CTL2 -0.180000 12.0110 0 2962 DPE 25 DPPE H10R HAL2 0.090000 1.0080 0 2963 DPE 25 DPPE H10S HAL2 0.090000 1.0080 0 2964 DPE 25 DPPE C211 CTL2 -0.180000 12.0110 0 2965 DPE 25 DPPE H11R HAL2 0.090000 1.0080 0 2966 DPE 25 DPPE H11S HAL2 0.090000 1.0080 0 2967 DPE 25 DPPE C212 CTL2 -0.180000 12.0110 0 2968 DPE 25 DPPE H12R HAL2 0.090000 1.0080 0 2969 DPE 25 DPPE H12S HAL2 0.090000 1.0080 0 2970 DPE 25 DPPE C213 CTL2 -0.180000 12.0110 0 2971 DPE 25 DPPE H13R HAL2 0.090000 1.0080 0 2972 DPE 25 DPPE H13S HAL2 0.090000 1.0080 0 2973 DPE 25 DPPE C214 CTL2 -0.180000 12.0110 0 2974 DPE 25 DPPE H14R HAL2 0.090000 1.0080 0 2975 DPE 25 DPPE H14S HAL2 0.090000 1.0080 0 2976 DPE 25 DPPE C215 CTL2 -0.180000 12.0110 0 2977 DPE 25 DPPE H15R HAL2 0.090000 1.0080 0 2978 DPE 25 DPPE H15S HAL2 0.090000 1.0080 0 2979 DPE 25 DPPE C216 CTL3 -0.270000 12.0110 0 2980 DPE 25 DPPE H16R HAL3 0.090000 1.0080 0 2981 DPE 25 DPPE H16S HAL3 0.090000 1.0080 0 2982 DPE 25 DPPE H16T HAL3 0.090000 1.0080 0 2983 DPE 25 DPPE C33 CTL2 -0.180000 12.0110 0 2984 DPE 25 DPPE H3X HAL2 0.090000 1.0080 0 2985 DPE 25 DPPE H3Y HAL2 0.090000 1.0080 0 2986 DPE 25 DPPE C34 CTL2 -0.180000 12.0110 0 2987 DPE 25 DPPE H4X HAL2 0.090000 1.0080 0 2988 DPE 25 DPPE H4Y HAL2 0.090000 1.0080 0 2989 DPE 25 DPPE C35 CTL2 -0.180000 12.0110 0 2990 DPE 25 DPPE H5X HAL2 0.090000 1.0080 0 2991 DPE 25 DPPE H5Y HAL2 0.090000 1.0080 0 2992 DPE 25 DPPE C36 CTL2 -0.180000 12.0110 0 2993 DPE 25 DPPE H6X HAL2 0.090000 1.0080 0 2994 DPE 25 DPPE H6Y HAL2 0.090000 1.0080 0 2995 DPE 25 DPPE C37 CTL2 -0.180000 12.0110 0 2996 DPE 25 DPPE H7X HAL2 0.090000 1.0080 0 2997 DPE 25 DPPE H7Y HAL2 0.090000 1.0080 0 2998 DPE 25 DPPE C38 CTL2 -0.180000 12.0110 0 2999 DPE 25 DPPE H8X HAL2 0.090000 1.0080 0 3000 DPE 25 DPPE H8Y HAL2 0.090000 1.0080 0 3001 DPE 25 DPPE C39 CTL2 -0.180000 12.0110 0 3002 DPE 25 DPPE H9X HAL2 0.090000 1.0080 0 3003 DPE 25 DPPE H9Y HAL2 0.090000 1.0080 0 3004 DPE 25 DPPE C310 CTL2 -0.180000 12.0110 0 3005 DPE 25 DPPE H10X HAL2 0.090000 1.0080 0 3006 DPE 25 DPPE H10Y HAL2 0.090000 1.0080 0 3007 DPE 25 DPPE C311 CTL2 -0.180000 12.0110 0 3008 DPE 25 DPPE H11X HAL2 0.090000 1.0080 0 3009 DPE 25 DPPE H11Y HAL2 0.090000 1.0080 0 3010 DPE 25 DPPE C312 CTL2 -0.180000 12.0110 0 3011 DPE 25 DPPE H12X HAL2 0.090000 1.0080 0 3012 DPE 25 DPPE H12Y HAL2 0.090000 1.0080 0 3013 DPE 25 DPPE C313 CTL2 -0.180000 12.0110 0 3014 DPE 25 DPPE H13X HAL2 0.090000 1.0080 0 3015 DPE 25 DPPE H13Y HAL2 0.090000 1.0080 0 3016 DPE 25 DPPE C314 CTL2 -0.180000 12.0110 0 3017 DPE 25 DPPE H14X HAL2 0.090000 1.0080 0 3018 DPE 25 DPPE H14Y HAL2 0.090000 1.0080 0 3019 DPE 25 DPPE C315 CTL2 -0.180000 12.0110 0 3020 DPE 25 DPPE H15X HAL2 0.090000 1.0080 0 3021 DPE 25 DPPE H15Y HAL2 0.090000 1.0080 0 3022 DPE 25 DPPE C316 CTL3 -0.270000 12.0110 0 3023 DPE 25 DPPE H16X HAL3 0.090000 1.0080 0 3024 DPE 25 DPPE H16Y HAL3 0.090000 1.0080 0 3025 DPE 25 DPPE H16Z HAL3 0.090000 1.0080 0 3026 DPE 26 DPPE N NH3L -0.300000 14.0070 0 3027 DPE 26 DPPE HN1 HCL 0.330000 1.0080 0 3028 DPE 26 DPPE HN2 HCL 0.330000 1.0080 0 3029 DPE 26 DPPE HN3 HCL 0.330000 1.0080 0 3030 DPE 26 DPPE C12 CTL2 0.130000 12.0110 0 3031 DPE 26 DPPE H12A HAL2 0.090000 1.0080 0 3032 DPE 26 DPPE H12B HAL2 0.090000 1.0080 0 3033 DPE 26 DPPE C11 CTL2 -0.080000 12.0110 0 3034 DPE 26 DPPE H11A HAL2 0.090000 1.0080 0 3035 DPE 26 DPPE H11B HAL2 0.090000 1.0080 0 3036 DPE 26 DPPE P PL 1.500000 30.9740 0 3037 DPE 26 DPPE O13 O2L -0.780000 15.9994 0 3038 DPE 26 DPPE O14 O2L -0.780000 15.9994 0 3039 DPE 26 DPPE O11 OSL -0.570000 15.9994 0 3040 DPE 26 DPPE O12 OSL -0.570000 15.9994 0 3041 DPE 26 DPPE C1 CTL2 -0.080000 12.0110 0 3042 DPE 26 DPPE HA HAL2 0.090000 1.0080 0 3043 DPE 26 DPPE HB HAL2 0.090000 1.0080 0 3044 DPE 26 DPPE C2 CTL1 0.040000 12.0110 0 3045 DPE 26 DPPE HS HAL1 0.090000 1.0080 0 3046 DPE 26 DPPE O21 OSL -0.340000 15.9994 0 3047 DPE 26 DPPE C21 CL 0.630000 12.0110 0 3048 DPE 26 DPPE O22 OBL -0.520000 15.9994 0 3049 DPE 26 DPPE C22 CTL2 -0.080000 12.0110 0 3050 DPE 26 DPPE H2R HAL2 0.090000 1.0080 0 3051 DPE 26 DPPE H2S HAL2 0.090000 1.0080 0 3052 DPE 26 DPPE C3 CTL2 -0.050000 12.0110 0 3053 DPE 26 DPPE HX HAL2 0.090000 1.0080 0 3054 DPE 26 DPPE HY HAL2 0.090000 1.0080 0 3055 DPE 26 DPPE O31 OSL -0.340000 15.9994 0 3056 DPE 26 DPPE C31 CL 0.630000 12.0110 0 3057 DPE 26 DPPE O32 OBL -0.520000 15.9994 0 3058 DPE 26 DPPE C32 CTL2 -0.080000 12.0110 0 3059 DPE 26 DPPE H2X HAL2 0.090000 1.0080 0 3060 DPE 26 DPPE H2Y HAL2 0.090000 1.0080 0 3061 DPE 26 DPPE C23 CTL2 -0.180000 12.0110 0 3062 DPE 26 DPPE H3R HAL2 0.090000 1.0080 0 3063 DPE 26 DPPE H3S HAL2 0.090000 1.0080 0 3064 DPE 26 DPPE C24 CTL2 -0.180000 12.0110 0 3065 DPE 26 DPPE H4R HAL2 0.090000 1.0080 0 3066 DPE 26 DPPE H4S HAL2 0.090000 1.0080 0 3067 DPE 26 DPPE C25 CTL2 -0.180000 12.0110 0 3068 DPE 26 DPPE H5R HAL2 0.090000 1.0080 0 3069 DPE 26 DPPE H5S HAL2 0.090000 1.0080 0 3070 DPE 26 DPPE C26 CTL2 -0.180000 12.0110 0 3071 DPE 26 DPPE H6R HAL2 0.090000 1.0080 0 3072 DPE 26 DPPE H6S HAL2 0.090000 1.0080 0 3073 DPE 26 DPPE C27 CTL2 -0.180000 12.0110 0 3074 DPE 26 DPPE H7R HAL2 0.090000 1.0080 0 3075 DPE 26 DPPE H7S HAL2 0.090000 1.0080 0 3076 DPE 26 DPPE C28 CTL2 -0.180000 12.0110 0 3077 DPE 26 DPPE H8R HAL2 0.090000 1.0080 0 3078 DPE 26 DPPE H8S HAL2 0.090000 1.0080 0 3079 DPE 26 DPPE C29 CTL2 -0.180000 12.0110 0 3080 DPE 26 DPPE H9R HAL2 0.090000 1.0080 0 3081 DPE 26 DPPE H9S HAL2 0.090000 1.0080 0 3082 DPE 26 DPPE C210 CTL2 -0.180000 12.0110 0 3083 DPE 26 DPPE H10R HAL2 0.090000 1.0080 0 3084 DPE 26 DPPE H10S HAL2 0.090000 1.0080 0 3085 DPE 26 DPPE C211 CTL2 -0.180000 12.0110 0 3086 DPE 26 DPPE H11R HAL2 0.090000 1.0080 0 3087 DPE 26 DPPE H11S HAL2 0.090000 1.0080 0 3088 DPE 26 DPPE C212 CTL2 -0.180000 12.0110 0 3089 DPE 26 DPPE H12R HAL2 0.090000 1.0080 0 3090 DPE 26 DPPE H12S HAL2 0.090000 1.0080 0 3091 DPE 26 DPPE C213 CTL2 -0.180000 12.0110 0 3092 DPE 26 DPPE H13R HAL2 0.090000 1.0080 0 3093 DPE 26 DPPE H13S HAL2 0.090000 1.0080 0 3094 DPE 26 DPPE C214 CTL2 -0.180000 12.0110 0 3095 DPE 26 DPPE H14R HAL2 0.090000 1.0080 0 3096 DPE 26 DPPE H14S HAL2 0.090000 1.0080 0 3097 DPE 26 DPPE C215 CTL2 -0.180000 12.0110 0 3098 DPE 26 DPPE H15R HAL2 0.090000 1.0080 0 3099 DPE 26 DPPE H15S HAL2 0.090000 1.0080 0 3100 DPE 26 DPPE C216 CTL3 -0.270000 12.0110 0 3101 DPE 26 DPPE H16R HAL3 0.090000 1.0080 0 3102 DPE 26 DPPE H16S HAL3 0.090000 1.0080 0 3103 DPE 26 DPPE H16T HAL3 0.090000 1.0080 0 3104 DPE 26 DPPE C33 CTL2 -0.180000 12.0110 0 3105 DPE 26 DPPE H3X HAL2 0.090000 1.0080 0 3106 DPE 26 DPPE H3Y HAL2 0.090000 1.0080 0 3107 DPE 26 DPPE C34 CTL2 -0.180000 12.0110 0 3108 DPE 26 DPPE H4X HAL2 0.090000 1.0080 0 3109 DPE 26 DPPE H4Y HAL2 0.090000 1.0080 0 3110 DPE 26 DPPE C35 CTL2 -0.180000 12.0110 0 3111 DPE 26 DPPE H5X HAL2 0.090000 1.0080 0 3112 DPE 26 DPPE H5Y HAL2 0.090000 1.0080 0 3113 DPE 26 DPPE C36 CTL2 -0.180000 12.0110 0 3114 DPE 26 DPPE H6X HAL2 0.090000 1.0080 0 3115 DPE 26 DPPE H6Y HAL2 0.090000 1.0080 0 3116 DPE 26 DPPE C37 CTL2 -0.180000 12.0110 0 3117 DPE 26 DPPE H7X HAL2 0.090000 1.0080 0 3118 DPE 26 DPPE H7Y HAL2 0.090000 1.0080 0 3119 DPE 26 DPPE C38 CTL2 -0.180000 12.0110 0 3120 DPE 26 DPPE H8X HAL2 0.090000 1.0080 0 3121 DPE 26 DPPE H8Y HAL2 0.090000 1.0080 0 3122 DPE 26 DPPE C39 CTL2 -0.180000 12.0110 0 3123 DPE 26 DPPE H9X HAL2 0.090000 1.0080 0 3124 DPE 26 DPPE H9Y HAL2 0.090000 1.0080 0 3125 DPE 26 DPPE C310 CTL2 -0.180000 12.0110 0 3126 DPE 26 DPPE H10X HAL2 0.090000 1.0080 0 3127 DPE 26 DPPE H10Y HAL2 0.090000 1.0080 0 3128 DPE 26 DPPE C311 CTL2 -0.180000 12.0110 0 3129 DPE 26 DPPE H11X HAL2 0.090000 1.0080 0 3130 DPE 26 DPPE H11Y HAL2 0.090000 1.0080 0 3131 DPE 26 DPPE C312 CTL2 -0.180000 12.0110 0 3132 DPE 26 DPPE H12X HAL2 0.090000 1.0080 0 3133 DPE 26 DPPE H12Y HAL2 0.090000 1.0080 0 3134 DPE 26 DPPE C313 CTL2 -0.180000 12.0110 0 3135 DPE 26 DPPE H13X HAL2 0.090000 1.0080 0 3136 DPE 26 DPPE H13Y HAL2 0.090000 1.0080 0 3137 DPE 26 DPPE C314 CTL2 -0.180000 12.0110 0 3138 DPE 26 DPPE H14X HAL2 0.090000 1.0080 0 3139 DPE 26 DPPE H14Y HAL2 0.090000 1.0080 0 3140 DPE 26 DPPE C315 CTL2 -0.180000 12.0110 0 3141 DPE 26 DPPE H15X HAL2 0.090000 1.0080 0 3142 DPE 26 DPPE H15Y HAL2 0.090000 1.0080 0 3143 DPE 26 DPPE C316 CTL3 -0.270000 12.0110 0 3144 DPE 26 DPPE H16X HAL3 0.090000 1.0080 0 3145 DPE 26 DPPE H16Y HAL3 0.090000 1.0080 0 3146 DPE 26 DPPE H16Z HAL3 0.090000 1.0080 0 3147 DPE 27 DPPE N NH3L -0.300000 14.0070 0 3148 DPE 27 DPPE HN1 HCL 0.330000 1.0080 0 3149 DPE 27 DPPE HN2 HCL 0.330000 1.0080 0 3150 DPE 27 DPPE HN3 HCL 0.330000 1.0080 0 3151 DPE 27 DPPE C12 CTL2 0.130000 12.0110 0 3152 DPE 27 DPPE H12A HAL2 0.090000 1.0080 0 3153 DPE 27 DPPE H12B HAL2 0.090000 1.0080 0 3154 DPE 27 DPPE C11 CTL2 -0.080000 12.0110 0 3155 DPE 27 DPPE H11A HAL2 0.090000 1.0080 0 3156 DPE 27 DPPE H11B HAL2 0.090000 1.0080 0 3157 DPE 27 DPPE P PL 1.500000 30.9740 0 3158 DPE 27 DPPE O13 O2L -0.780000 15.9994 0 3159 DPE 27 DPPE O14 O2L -0.780000 15.9994 0 3160 DPE 27 DPPE O11 OSL -0.570000 15.9994 0 3161 DPE 27 DPPE O12 OSL -0.570000 15.9994 0 3162 DPE 27 DPPE C1 CTL2 -0.080000 12.0110 0 3163 DPE 27 DPPE HA HAL2 0.090000 1.0080 0 3164 DPE 27 DPPE HB HAL2 0.090000 1.0080 0 3165 DPE 27 DPPE C2 CTL1 0.040000 12.0110 0 3166 DPE 27 DPPE HS HAL1 0.090000 1.0080 0 3167 DPE 27 DPPE O21 OSL -0.340000 15.9994 0 3168 DPE 27 DPPE C21 CL 0.630000 12.0110 0 3169 DPE 27 DPPE O22 OBL -0.520000 15.9994 0 3170 DPE 27 DPPE C22 CTL2 -0.080000 12.0110 0 3171 DPE 27 DPPE H2R HAL2 0.090000 1.0080 0 3172 DPE 27 DPPE H2S HAL2 0.090000 1.0080 0 3173 DPE 27 DPPE C3 CTL2 -0.050000 12.0110 0 3174 DPE 27 DPPE HX HAL2 0.090000 1.0080 0 3175 DPE 27 DPPE HY HAL2 0.090000 1.0080 0 3176 DPE 27 DPPE O31 OSL -0.340000 15.9994 0 3177 DPE 27 DPPE C31 CL 0.630000 12.0110 0 3178 DPE 27 DPPE O32 OBL -0.520000 15.9994 0 3179 DPE 27 DPPE C32 CTL2 -0.080000 12.0110 0 3180 DPE 27 DPPE H2X HAL2 0.090000 1.0080 0 3181 DPE 27 DPPE H2Y HAL2 0.090000 1.0080 0 3182 DPE 27 DPPE C23 CTL2 -0.180000 12.0110 0 3183 DPE 27 DPPE H3R HAL2 0.090000 1.0080 0 3184 DPE 27 DPPE H3S HAL2 0.090000 1.0080 0 3185 DPE 27 DPPE C24 CTL2 -0.180000 12.0110 0 3186 DPE 27 DPPE H4R HAL2 0.090000 1.0080 0 3187 DPE 27 DPPE H4S HAL2 0.090000 1.0080 0 3188 DPE 27 DPPE C25 CTL2 -0.180000 12.0110 0 3189 DPE 27 DPPE H5R HAL2 0.090000 1.0080 0 3190 DPE 27 DPPE H5S HAL2 0.090000 1.0080 0 3191 DPE 27 DPPE C26 CTL2 -0.180000 12.0110 0 3192 DPE 27 DPPE H6R HAL2 0.090000 1.0080 0 3193 DPE 27 DPPE H6S HAL2 0.090000 1.0080 0 3194 DPE 27 DPPE C27 CTL2 -0.180000 12.0110 0 3195 DPE 27 DPPE H7R HAL2 0.090000 1.0080 0 3196 DPE 27 DPPE H7S HAL2 0.090000 1.0080 0 3197 DPE 27 DPPE C28 CTL2 -0.180000 12.0110 0 3198 DPE 27 DPPE H8R HAL2 0.090000 1.0080 0 3199 DPE 27 DPPE H8S HAL2 0.090000 1.0080 0 3200 DPE 27 DPPE C29 CTL2 -0.180000 12.0110 0 3201 DPE 27 DPPE H9R HAL2 0.090000 1.0080 0 3202 DPE 27 DPPE H9S HAL2 0.090000 1.0080 0 3203 DPE 27 DPPE C210 CTL2 -0.180000 12.0110 0 3204 DPE 27 DPPE H10R HAL2 0.090000 1.0080 0 3205 DPE 27 DPPE H10S HAL2 0.090000 1.0080 0 3206 DPE 27 DPPE C211 CTL2 -0.180000 12.0110 0 3207 DPE 27 DPPE H11R HAL2 0.090000 1.0080 0 3208 DPE 27 DPPE H11S HAL2 0.090000 1.0080 0 3209 DPE 27 DPPE C212 CTL2 -0.180000 12.0110 0 3210 DPE 27 DPPE H12R HAL2 0.090000 1.0080 0 3211 DPE 27 DPPE H12S HAL2 0.090000 1.0080 0 3212 DPE 27 DPPE C213 CTL2 -0.180000 12.0110 0 3213 DPE 27 DPPE H13R HAL2 0.090000 1.0080 0 3214 DPE 27 DPPE H13S HAL2 0.090000 1.0080 0 3215 DPE 27 DPPE C214 CTL2 -0.180000 12.0110 0 3216 DPE 27 DPPE H14R HAL2 0.090000 1.0080 0 3217 DPE 27 DPPE H14S HAL2 0.090000 1.0080 0 3218 DPE 27 DPPE C215 CTL2 -0.180000 12.0110 0 3219 DPE 27 DPPE H15R HAL2 0.090000 1.0080 0 3220 DPE 27 DPPE H15S HAL2 0.090000 1.0080 0 3221 DPE 27 DPPE C216 CTL3 -0.270000 12.0110 0 3222 DPE 27 DPPE H16R HAL3 0.090000 1.0080 0 3223 DPE 27 DPPE H16S HAL3 0.090000 1.0080 0 3224 DPE 27 DPPE H16T HAL3 0.090000 1.0080 0 3225 DPE 27 DPPE C33 CTL2 -0.180000 12.0110 0 3226 DPE 27 DPPE H3X HAL2 0.090000 1.0080 0 3227 DPE 27 DPPE H3Y HAL2 0.090000 1.0080 0 3228 DPE 27 DPPE C34 CTL2 -0.180000 12.0110 0 3229 DPE 27 DPPE H4X HAL2 0.090000 1.0080 0 3230 DPE 27 DPPE H4Y HAL2 0.090000 1.0080 0 3231 DPE 27 DPPE C35 CTL2 -0.180000 12.0110 0 3232 DPE 27 DPPE H5X HAL2 0.090000 1.0080 0 3233 DPE 27 DPPE H5Y HAL2 0.090000 1.0080 0 3234 DPE 27 DPPE C36 CTL2 -0.180000 12.0110 0 3235 DPE 27 DPPE H6X HAL2 0.090000 1.0080 0 3236 DPE 27 DPPE H6Y HAL2 0.090000 1.0080 0 3237 DPE 27 DPPE C37 CTL2 -0.180000 12.0110 0 3238 DPE 27 DPPE H7X HAL2 0.090000 1.0080 0 3239 DPE 27 DPPE H7Y HAL2 0.090000 1.0080 0 3240 DPE 27 DPPE C38 CTL2 -0.180000 12.0110 0 3241 DPE 27 DPPE H8X HAL2 0.090000 1.0080 0 3242 DPE 27 DPPE H8Y HAL2 0.090000 1.0080 0 3243 DPE 27 DPPE C39 CTL2 -0.180000 12.0110 0 3244 DPE 27 DPPE H9X HAL2 0.090000 1.0080 0 3245 DPE 27 DPPE H9Y HAL2 0.090000 1.0080 0 3246 DPE 27 DPPE C310 CTL2 -0.180000 12.0110 0 3247 DPE 27 DPPE H10X HAL2 0.090000 1.0080 0 3248 DPE 27 DPPE H10Y HAL2 0.090000 1.0080 0 3249 DPE 27 DPPE C311 CTL2 -0.180000 12.0110 0 3250 DPE 27 DPPE H11X HAL2 0.090000 1.0080 0 3251 DPE 27 DPPE H11Y HAL2 0.090000 1.0080 0 3252 DPE 27 DPPE C312 CTL2 -0.180000 12.0110 0 3253 DPE 27 DPPE H12X HAL2 0.090000 1.0080 0 3254 DPE 27 DPPE H12Y HAL2 0.090000 1.0080 0 3255 DPE 27 DPPE C313 CTL2 -0.180000 12.0110 0 3256 DPE 27 DPPE H13X HAL2 0.090000 1.0080 0 3257 DPE 27 DPPE H13Y HAL2 0.090000 1.0080 0 3258 DPE 27 DPPE C314 CTL2 -0.180000 12.0110 0 3259 DPE 27 DPPE H14X HAL2 0.090000 1.0080 0 3260 DPE 27 DPPE H14Y HAL2 0.090000 1.0080 0 3261 DPE 27 DPPE C315 CTL2 -0.180000 12.0110 0 3262 DPE 27 DPPE H15X HAL2 0.090000 1.0080 0 3263 DPE 27 DPPE H15Y HAL2 0.090000 1.0080 0 3264 DPE 27 DPPE C316 CTL3 -0.270000 12.0110 0 3265 DPE 27 DPPE H16X HAL3 0.090000 1.0080 0 3266 DPE 27 DPPE H16Y HAL3 0.090000 1.0080 0 3267 DPE 27 DPPE H16Z HAL3 0.090000 1.0080 0 3268 DPE 28 DPPE N NH3L -0.300000 14.0070 0 3269 DPE 28 DPPE HN1 HCL 0.330000 1.0080 0 3270 DPE 28 DPPE HN2 HCL 0.330000 1.0080 0 3271 DPE 28 DPPE HN3 HCL 0.330000 1.0080 0 3272 DPE 28 DPPE C12 CTL2 0.130000 12.0110 0 3273 DPE 28 DPPE H12A HAL2 0.090000 1.0080 0 3274 DPE 28 DPPE H12B HAL2 0.090000 1.0080 0 3275 DPE 28 DPPE C11 CTL2 -0.080000 12.0110 0 3276 DPE 28 DPPE H11A HAL2 0.090000 1.0080 0 3277 DPE 28 DPPE H11B HAL2 0.090000 1.0080 0 3278 DPE 28 DPPE P PL 1.500000 30.9740 0 3279 DPE 28 DPPE O13 O2L -0.780000 15.9994 0 3280 DPE 28 DPPE O14 O2L -0.780000 15.9994 0 3281 DPE 28 DPPE O11 OSL -0.570000 15.9994 0 3282 DPE 28 DPPE O12 OSL -0.570000 15.9994 0 3283 DPE 28 DPPE C1 CTL2 -0.080000 12.0110 0 3284 DPE 28 DPPE HA HAL2 0.090000 1.0080 0 3285 DPE 28 DPPE HB HAL2 0.090000 1.0080 0 3286 DPE 28 DPPE C2 CTL1 0.040000 12.0110 0 3287 DPE 28 DPPE HS HAL1 0.090000 1.0080 0 3288 DPE 28 DPPE O21 OSL -0.340000 15.9994 0 3289 DPE 28 DPPE C21 CL 0.630000 12.0110 0 3290 DPE 28 DPPE O22 OBL -0.520000 15.9994 0 3291 DPE 28 DPPE C22 CTL2 -0.080000 12.0110 0 3292 DPE 28 DPPE H2R HAL2 0.090000 1.0080 0 3293 DPE 28 DPPE H2S HAL2 0.090000 1.0080 0 3294 DPE 28 DPPE C3 CTL2 -0.050000 12.0110 0 3295 DPE 28 DPPE HX HAL2 0.090000 1.0080 0 3296 DPE 28 DPPE HY HAL2 0.090000 1.0080 0 3297 DPE 28 DPPE O31 OSL -0.340000 15.9994 0 3298 DPE 28 DPPE C31 CL 0.630000 12.0110 0 3299 DPE 28 DPPE O32 OBL -0.520000 15.9994 0 3300 DPE 28 DPPE C32 CTL2 -0.080000 12.0110 0 3301 DPE 28 DPPE H2X HAL2 0.090000 1.0080 0 3302 DPE 28 DPPE H2Y HAL2 0.090000 1.0080 0 3303 DPE 28 DPPE C23 CTL2 -0.180000 12.0110 0 3304 DPE 28 DPPE H3R HAL2 0.090000 1.0080 0 3305 DPE 28 DPPE H3S HAL2 0.090000 1.0080 0 3306 DPE 28 DPPE C24 CTL2 -0.180000 12.0110 0 3307 DPE 28 DPPE H4R HAL2 0.090000 1.0080 0 3308 DPE 28 DPPE H4S HAL2 0.090000 1.0080 0 3309 DPE 28 DPPE C25 CTL2 -0.180000 12.0110 0 3310 DPE 28 DPPE H5R HAL2 0.090000 1.0080 0 3311 DPE 28 DPPE H5S HAL2 0.090000 1.0080 0 3312 DPE 28 DPPE C26 CTL2 -0.180000 12.0110 0 3313 DPE 28 DPPE H6R HAL2 0.090000 1.0080 0 3314 DPE 28 DPPE H6S HAL2 0.090000 1.0080 0 3315 DPE 28 DPPE C27 CTL2 -0.180000 12.0110 0 3316 DPE 28 DPPE H7R HAL2 0.090000 1.0080 0 3317 DPE 28 DPPE H7S HAL2 0.090000 1.0080 0 3318 DPE 28 DPPE C28 CTL2 -0.180000 12.0110 0 3319 DPE 28 DPPE H8R HAL2 0.090000 1.0080 0 3320 DPE 28 DPPE H8S HAL2 0.090000 1.0080 0 3321 DPE 28 DPPE C29 CTL2 -0.180000 12.0110 0 3322 DPE 28 DPPE H9R HAL2 0.090000 1.0080 0 3323 DPE 28 DPPE H9S HAL2 0.090000 1.0080 0 3324 DPE 28 DPPE C210 CTL2 -0.180000 12.0110 0 3325 DPE 28 DPPE H10R HAL2 0.090000 1.0080 0 3326 DPE 28 DPPE H10S HAL2 0.090000 1.0080 0 3327 DPE 28 DPPE C211 CTL2 -0.180000 12.0110 0 3328 DPE 28 DPPE H11R HAL2 0.090000 1.0080 0 3329 DPE 28 DPPE H11S HAL2 0.090000 1.0080 0 3330 DPE 28 DPPE C212 CTL2 -0.180000 12.0110 0 3331 DPE 28 DPPE H12R HAL2 0.090000 1.0080 0 3332 DPE 28 DPPE H12S HAL2 0.090000 1.0080 0 3333 DPE 28 DPPE C213 CTL2 -0.180000 12.0110 0 3334 DPE 28 DPPE H13R HAL2 0.090000 1.0080 0 3335 DPE 28 DPPE H13S HAL2 0.090000 1.0080 0 3336 DPE 28 DPPE C214 CTL2 -0.180000 12.0110 0 3337 DPE 28 DPPE H14R HAL2 0.090000 1.0080 0 3338 DPE 28 DPPE H14S HAL2 0.090000 1.0080 0 3339 DPE 28 DPPE C215 CTL2 -0.180000 12.0110 0 3340 DPE 28 DPPE H15R HAL2 0.090000 1.0080 0 3341 DPE 28 DPPE H15S HAL2 0.090000 1.0080 0 3342 DPE 28 DPPE C216 CTL3 -0.270000 12.0110 0 3343 DPE 28 DPPE H16R HAL3 0.090000 1.0080 0 3344 DPE 28 DPPE H16S HAL3 0.090000 1.0080 0 3345 DPE 28 DPPE H16T HAL3 0.090000 1.0080 0 3346 DPE 28 DPPE C33 CTL2 -0.180000 12.0110 0 3347 DPE 28 DPPE H3X HAL2 0.090000 1.0080 0 3348 DPE 28 DPPE H3Y HAL2 0.090000 1.0080 0 3349 DPE 28 DPPE C34 CTL2 -0.180000 12.0110 0 3350 DPE 28 DPPE H4X HAL2 0.090000 1.0080 0 3351 DPE 28 DPPE H4Y HAL2 0.090000 1.0080 0 3352 DPE 28 DPPE C35 CTL2 -0.180000 12.0110 0 3353 DPE 28 DPPE H5X HAL2 0.090000 1.0080 0 3354 DPE 28 DPPE H5Y HAL2 0.090000 1.0080 0 3355 DPE 28 DPPE C36 CTL2 -0.180000 12.0110 0 3356 DPE 28 DPPE H6X HAL2 0.090000 1.0080 0 3357 DPE 28 DPPE H6Y HAL2 0.090000 1.0080 0 3358 DPE 28 DPPE C37 CTL2 -0.180000 12.0110 0 3359 DPE 28 DPPE H7X HAL2 0.090000 1.0080 0 3360 DPE 28 DPPE H7Y HAL2 0.090000 1.0080 0 3361 DPE 28 DPPE C38 CTL2 -0.180000 12.0110 0 3362 DPE 28 DPPE H8X HAL2 0.090000 1.0080 0 3363 DPE 28 DPPE H8Y HAL2 0.090000 1.0080 0 3364 DPE 28 DPPE C39 CTL2 -0.180000 12.0110 0 3365 DPE 28 DPPE H9X HAL2 0.090000 1.0080 0 3366 DPE 28 DPPE H9Y HAL2 0.090000 1.0080 0 3367 DPE 28 DPPE C310 CTL2 -0.180000 12.0110 0 3368 DPE 28 DPPE H10X HAL2 0.090000 1.0080 0 3369 DPE 28 DPPE H10Y HAL2 0.090000 1.0080 0 3370 DPE 28 DPPE C311 CTL2 -0.180000 12.0110 0 3371 DPE 28 DPPE H11X HAL2 0.090000 1.0080 0 3372 DPE 28 DPPE H11Y HAL2 0.090000 1.0080 0 3373 DPE 28 DPPE C312 CTL2 -0.180000 12.0110 0 3374 DPE 28 DPPE H12X HAL2 0.090000 1.0080 0 3375 DPE 28 DPPE H12Y HAL2 0.090000 1.0080 0 3376 DPE 28 DPPE C313 CTL2 -0.180000 12.0110 0 3377 DPE 28 DPPE H13X HAL2 0.090000 1.0080 0 3378 DPE 28 DPPE H13Y HAL2 0.090000 1.0080 0 3379 DPE 28 DPPE C314 CTL2 -0.180000 12.0110 0 3380 DPE 28 DPPE H14X HAL2 0.090000 1.0080 0 3381 DPE 28 DPPE H14Y HAL2 0.090000 1.0080 0 3382 DPE 28 DPPE C315 CTL2 -0.180000 12.0110 0 3383 DPE 28 DPPE H15X HAL2 0.090000 1.0080 0 3384 DPE 28 DPPE H15Y HAL2 0.090000 1.0080 0 3385 DPE 28 DPPE C316 CTL3 -0.270000 12.0110 0 3386 DPE 28 DPPE H16X HAL3 0.090000 1.0080 0 3387 DPE 28 DPPE H16Y HAL3 0.090000 1.0080 0 3388 DPE 28 DPPE H16Z HAL3 0.090000 1.0080 0 3389 DPE 29 DPPE N NH3L -0.300000 14.0070 0 3390 DPE 29 DPPE HN1 HCL 0.330000 1.0080 0 3391 DPE 29 DPPE HN2 HCL 0.330000 1.0080 0 3392 DPE 29 DPPE HN3 HCL 0.330000 1.0080 0 3393 DPE 29 DPPE C12 CTL2 0.130000 12.0110 0 3394 DPE 29 DPPE H12A HAL2 0.090000 1.0080 0 3395 DPE 29 DPPE H12B HAL2 0.090000 1.0080 0 3396 DPE 29 DPPE C11 CTL2 -0.080000 12.0110 0 3397 DPE 29 DPPE H11A HAL2 0.090000 1.0080 0 3398 DPE 29 DPPE H11B HAL2 0.090000 1.0080 0 3399 DPE 29 DPPE P PL 1.500000 30.9740 0 3400 DPE 29 DPPE O13 O2L -0.780000 15.9994 0 3401 DPE 29 DPPE O14 O2L -0.780000 15.9994 0 3402 DPE 29 DPPE O11 OSL -0.570000 15.9994 0 3403 DPE 29 DPPE O12 OSL -0.570000 15.9994 0 3404 DPE 29 DPPE C1 CTL2 -0.080000 12.0110 0 3405 DPE 29 DPPE HA HAL2 0.090000 1.0080 0 3406 DPE 29 DPPE HB HAL2 0.090000 1.0080 0 3407 DPE 29 DPPE C2 CTL1 0.040000 12.0110 0 3408 DPE 29 DPPE HS HAL1 0.090000 1.0080 0 3409 DPE 29 DPPE O21 OSL -0.340000 15.9994 0 3410 DPE 29 DPPE C21 CL 0.630000 12.0110 0 3411 DPE 29 DPPE O22 OBL -0.520000 15.9994 0 3412 DPE 29 DPPE C22 CTL2 -0.080000 12.0110 0 3413 DPE 29 DPPE H2R HAL2 0.090000 1.0080 0 3414 DPE 29 DPPE H2S HAL2 0.090000 1.0080 0 3415 DPE 29 DPPE C3 CTL2 -0.050000 12.0110 0 3416 DPE 29 DPPE HX HAL2 0.090000 1.0080 0 3417 DPE 29 DPPE HY HAL2 0.090000 1.0080 0 3418 DPE 29 DPPE O31 OSL -0.340000 15.9994 0 3419 DPE 29 DPPE C31 CL 0.630000 12.0110 0 3420 DPE 29 DPPE O32 OBL -0.520000 15.9994 0 3421 DPE 29 DPPE C32 CTL2 -0.080000 12.0110 0 3422 DPE 29 DPPE H2X HAL2 0.090000 1.0080 0 3423 DPE 29 DPPE H2Y HAL2 0.090000 1.0080 0 3424 DPE 29 DPPE C23 CTL2 -0.180000 12.0110 0 3425 DPE 29 DPPE H3R HAL2 0.090000 1.0080 0 3426 DPE 29 DPPE H3S HAL2 0.090000 1.0080 0 3427 DPE 29 DPPE C24 CTL2 -0.180000 12.0110 0 3428 DPE 29 DPPE H4R HAL2 0.090000 1.0080 0 3429 DPE 29 DPPE H4S HAL2 0.090000 1.0080 0 3430 DPE 29 DPPE C25 CTL2 -0.180000 12.0110 0 3431 DPE 29 DPPE H5R HAL2 0.090000 1.0080 0 3432 DPE 29 DPPE H5S HAL2 0.090000 1.0080 0 3433 DPE 29 DPPE C26 CTL2 -0.180000 12.0110 0 3434 DPE 29 DPPE H6R HAL2 0.090000 1.0080 0 3435 DPE 29 DPPE H6S HAL2 0.090000 1.0080 0 3436 DPE 29 DPPE C27 CTL2 -0.180000 12.0110 0 3437 DPE 29 DPPE H7R HAL2 0.090000 1.0080 0 3438 DPE 29 DPPE H7S HAL2 0.090000 1.0080 0 3439 DPE 29 DPPE C28 CTL2 -0.180000 12.0110 0 3440 DPE 29 DPPE H8R HAL2 0.090000 1.0080 0 3441 DPE 29 DPPE H8S HAL2 0.090000 1.0080 0 3442 DPE 29 DPPE C29 CTL2 -0.180000 12.0110 0 3443 DPE 29 DPPE H9R HAL2 0.090000 1.0080 0 3444 DPE 29 DPPE H9S HAL2 0.090000 1.0080 0 3445 DPE 29 DPPE C210 CTL2 -0.180000 12.0110 0 3446 DPE 29 DPPE H10R HAL2 0.090000 1.0080 0 3447 DPE 29 DPPE H10S HAL2 0.090000 1.0080 0 3448 DPE 29 DPPE C211 CTL2 -0.180000 12.0110 0 3449 DPE 29 DPPE H11R HAL2 0.090000 1.0080 0 3450 DPE 29 DPPE H11S HAL2 0.090000 1.0080 0 3451 DPE 29 DPPE C212 CTL2 -0.180000 12.0110 0 3452 DPE 29 DPPE H12R HAL2 0.090000 1.0080 0 3453 DPE 29 DPPE H12S HAL2 0.090000 1.0080 0 3454 DPE 29 DPPE C213 CTL2 -0.180000 12.0110 0 3455 DPE 29 DPPE H13R HAL2 0.090000 1.0080 0 3456 DPE 29 DPPE H13S HAL2 0.090000 1.0080 0 3457 DPE 29 DPPE C214 CTL2 -0.180000 12.0110 0 3458 DPE 29 DPPE H14R HAL2 0.090000 1.0080 0 3459 DPE 29 DPPE H14S HAL2 0.090000 1.0080 0 3460 DPE 29 DPPE C215 CTL2 -0.180000 12.0110 0 3461 DPE 29 DPPE H15R HAL2 0.090000 1.0080 0 3462 DPE 29 DPPE H15S HAL2 0.090000 1.0080 0 3463 DPE 29 DPPE C216 CTL3 -0.270000 12.0110 0 3464 DPE 29 DPPE H16R HAL3 0.090000 1.0080 0 3465 DPE 29 DPPE H16S HAL3 0.090000 1.0080 0 3466 DPE 29 DPPE H16T HAL3 0.090000 1.0080 0 3467 DPE 29 DPPE C33 CTL2 -0.180000 12.0110 0 3468 DPE 29 DPPE H3X HAL2 0.090000 1.0080 0 3469 DPE 29 DPPE H3Y HAL2 0.090000 1.0080 0 3470 DPE 29 DPPE C34 CTL2 -0.180000 12.0110 0 3471 DPE 29 DPPE H4X HAL2 0.090000 1.0080 0 3472 DPE 29 DPPE H4Y HAL2 0.090000 1.0080 0 3473 DPE 29 DPPE C35 CTL2 -0.180000 12.0110 0 3474 DPE 29 DPPE H5X HAL2 0.090000 1.0080 0 3475 DPE 29 DPPE H5Y HAL2 0.090000 1.0080 0 3476 DPE 29 DPPE C36 CTL2 -0.180000 12.0110 0 3477 DPE 29 DPPE H6X HAL2 0.090000 1.0080 0 3478 DPE 29 DPPE H6Y HAL2 0.090000 1.0080 0 3479 DPE 29 DPPE C37 CTL2 -0.180000 12.0110 0 3480 DPE 29 DPPE H7X HAL2 0.090000 1.0080 0 3481 DPE 29 DPPE H7Y HAL2 0.090000 1.0080 0 3482 DPE 29 DPPE C38 CTL2 -0.180000 12.0110 0 3483 DPE 29 DPPE H8X HAL2 0.090000 1.0080 0 3484 DPE 29 DPPE H8Y HAL2 0.090000 1.0080 0 3485 DPE 29 DPPE C39 CTL2 -0.180000 12.0110 0 3486 DPE 29 DPPE H9X HAL2 0.090000 1.0080 0 3487 DPE 29 DPPE H9Y HAL2 0.090000 1.0080 0 3488 DPE 29 DPPE C310 CTL2 -0.180000 12.0110 0 3489 DPE 29 DPPE H10X HAL2 0.090000 1.0080 0 3490 DPE 29 DPPE H10Y HAL2 0.090000 1.0080 0 3491 DPE 29 DPPE C311 CTL2 -0.180000 12.0110 0 3492 DPE 29 DPPE H11X HAL2 0.090000 1.0080 0 3493 DPE 29 DPPE H11Y HAL2 0.090000 1.0080 0 3494 DPE 29 DPPE C312 CTL2 -0.180000 12.0110 0 3495 DPE 29 DPPE H12X HAL2 0.090000 1.0080 0 3496 DPE 29 DPPE H12Y HAL2 0.090000 1.0080 0 3497 DPE 29 DPPE C313 CTL2 -0.180000 12.0110 0 3498 DPE 29 DPPE H13X HAL2 0.090000 1.0080 0 3499 DPE 29 DPPE H13Y HAL2 0.090000 1.0080 0 3500 DPE 29 DPPE C314 CTL2 -0.180000 12.0110 0 3501 DPE 29 DPPE H14X HAL2 0.090000 1.0080 0 3502 DPE 29 DPPE H14Y HAL2 0.090000 1.0080 0 3503 DPE 29 DPPE C315 CTL2 -0.180000 12.0110 0 3504 DPE 29 DPPE H15X HAL2 0.090000 1.0080 0 3505 DPE 29 DPPE H15Y HAL2 0.090000 1.0080 0 3506 DPE 29 DPPE C316 CTL3 -0.270000 12.0110 0 3507 DPE 29 DPPE H16X HAL3 0.090000 1.0080 0 3508 DPE 29 DPPE H16Y HAL3 0.090000 1.0080 0 3509 DPE 29 DPPE H16Z HAL3 0.090000 1.0080 0 3510 DPE 30 DPPE N NH3L -0.300000 14.0070 0 3511 DPE 30 DPPE HN1 HCL 0.330000 1.0080 0 3512 DPE 30 DPPE HN2 HCL 0.330000 1.0080 0 3513 DPE 30 DPPE HN3 HCL 0.330000 1.0080 0 3514 DPE 30 DPPE C12 CTL2 0.130000 12.0110 0 3515 DPE 30 DPPE H12A HAL2 0.090000 1.0080 0 3516 DPE 30 DPPE H12B HAL2 0.090000 1.0080 0 3517 DPE 30 DPPE C11 CTL2 -0.080000 12.0110 0 3518 DPE 30 DPPE H11A HAL2 0.090000 1.0080 0 3519 DPE 30 DPPE H11B HAL2 0.090000 1.0080 0 3520 DPE 30 DPPE P PL 1.500000 30.9740 0 3521 DPE 30 DPPE O13 O2L -0.780000 15.9994 0 3522 DPE 30 DPPE O14 O2L -0.780000 15.9994 0 3523 DPE 30 DPPE O11 OSL -0.570000 15.9994 0 3524 DPE 30 DPPE O12 OSL -0.570000 15.9994 0 3525 DPE 30 DPPE C1 CTL2 -0.080000 12.0110 0 3526 DPE 30 DPPE HA HAL2 0.090000 1.0080 0 3527 DPE 30 DPPE HB HAL2 0.090000 1.0080 0 3528 DPE 30 DPPE C2 CTL1 0.040000 12.0110 0 3529 DPE 30 DPPE HS HAL1 0.090000 1.0080 0 3530 DPE 30 DPPE O21 OSL -0.340000 15.9994 0 3531 DPE 30 DPPE C21 CL 0.630000 12.0110 0 3532 DPE 30 DPPE O22 OBL -0.520000 15.9994 0 3533 DPE 30 DPPE C22 CTL2 -0.080000 12.0110 0 3534 DPE 30 DPPE H2R HAL2 0.090000 1.0080 0 3535 DPE 30 DPPE H2S HAL2 0.090000 1.0080 0 3536 DPE 30 DPPE C3 CTL2 -0.050000 12.0110 0 3537 DPE 30 DPPE HX HAL2 0.090000 1.0080 0 3538 DPE 30 DPPE HY HAL2 0.090000 1.0080 0 3539 DPE 30 DPPE O31 OSL -0.340000 15.9994 0 3540 DPE 30 DPPE C31 CL 0.630000 12.0110 0 3541 DPE 30 DPPE O32 OBL -0.520000 15.9994 0 3542 DPE 30 DPPE C32 CTL2 -0.080000 12.0110 0 3543 DPE 30 DPPE H2X HAL2 0.090000 1.0080 0 3544 DPE 30 DPPE H2Y HAL2 0.090000 1.0080 0 3545 DPE 30 DPPE C23 CTL2 -0.180000 12.0110 0 3546 DPE 30 DPPE H3R HAL2 0.090000 1.0080 0 3547 DPE 30 DPPE H3S HAL2 0.090000 1.0080 0 3548 DPE 30 DPPE C24 CTL2 -0.180000 12.0110 0 3549 DPE 30 DPPE H4R HAL2 0.090000 1.0080 0 3550 DPE 30 DPPE H4S HAL2 0.090000 1.0080 0 3551 DPE 30 DPPE C25 CTL2 -0.180000 12.0110 0 3552 DPE 30 DPPE H5R HAL2 0.090000 1.0080 0 3553 DPE 30 DPPE H5S HAL2 0.090000 1.0080 0 3554 DPE 30 DPPE C26 CTL2 -0.180000 12.0110 0 3555 DPE 30 DPPE H6R HAL2 0.090000 1.0080 0 3556 DPE 30 DPPE H6S HAL2 0.090000 1.0080 0 3557 DPE 30 DPPE C27 CTL2 -0.180000 12.0110 0 3558 DPE 30 DPPE H7R HAL2 0.090000 1.0080 0 3559 DPE 30 DPPE H7S HAL2 0.090000 1.0080 0 3560 DPE 30 DPPE C28 CTL2 -0.180000 12.0110 0 3561 DPE 30 DPPE H8R HAL2 0.090000 1.0080 0 3562 DPE 30 DPPE H8S HAL2 0.090000 1.0080 0 3563 DPE 30 DPPE C29 CTL2 -0.180000 12.0110 0 3564 DPE 30 DPPE H9R HAL2 0.090000 1.0080 0 3565 DPE 30 DPPE H9S HAL2 0.090000 1.0080 0 3566 DPE 30 DPPE C210 CTL2 -0.180000 12.0110 0 3567 DPE 30 DPPE H10R HAL2 0.090000 1.0080 0 3568 DPE 30 DPPE H10S HAL2 0.090000 1.0080 0 3569 DPE 30 DPPE C211 CTL2 -0.180000 12.0110 0 3570 DPE 30 DPPE H11R HAL2 0.090000 1.0080 0 3571 DPE 30 DPPE H11S HAL2 0.090000 1.0080 0 3572 DPE 30 DPPE C212 CTL2 -0.180000 12.0110 0 3573 DPE 30 DPPE H12R HAL2 0.090000 1.0080 0 3574 DPE 30 DPPE H12S HAL2 0.090000 1.0080 0 3575 DPE 30 DPPE C213 CTL2 -0.180000 12.0110 0 3576 DPE 30 DPPE H13R HAL2 0.090000 1.0080 0 3577 DPE 30 DPPE H13S HAL2 0.090000 1.0080 0 3578 DPE 30 DPPE C214 CTL2 -0.180000 12.0110 0 3579 DPE 30 DPPE H14R HAL2 0.090000 1.0080 0 3580 DPE 30 DPPE H14S HAL2 0.090000 1.0080 0 3581 DPE 30 DPPE C215 CTL2 -0.180000 12.0110 0 3582 DPE 30 DPPE H15R HAL2 0.090000 1.0080 0 3583 DPE 30 DPPE H15S HAL2 0.090000 1.0080 0 3584 DPE 30 DPPE C216 CTL3 -0.270000 12.0110 0 3585 DPE 30 DPPE H16R HAL3 0.090000 1.0080 0 3586 DPE 30 DPPE H16S HAL3 0.090000 1.0080 0 3587 DPE 30 DPPE H16T HAL3 0.090000 1.0080 0 3588 DPE 30 DPPE C33 CTL2 -0.180000 12.0110 0 3589 DPE 30 DPPE H3X HAL2 0.090000 1.0080 0 3590 DPE 30 DPPE H3Y HAL2 0.090000 1.0080 0 3591 DPE 30 DPPE C34 CTL2 -0.180000 12.0110 0 3592 DPE 30 DPPE H4X HAL2 0.090000 1.0080 0 3593 DPE 30 DPPE H4Y HAL2 0.090000 1.0080 0 3594 DPE 30 DPPE C35 CTL2 -0.180000 12.0110 0 3595 DPE 30 DPPE H5X HAL2 0.090000 1.0080 0 3596 DPE 30 DPPE H5Y HAL2 0.090000 1.0080 0 3597 DPE 30 DPPE C36 CTL2 -0.180000 12.0110 0 3598 DPE 30 DPPE H6X HAL2 0.090000 1.0080 0 3599 DPE 30 DPPE H6Y HAL2 0.090000 1.0080 0 3600 DPE 30 DPPE C37 CTL2 -0.180000 12.0110 0 3601 DPE 30 DPPE H7X HAL2 0.090000 1.0080 0 3602 DPE 30 DPPE H7Y HAL2 0.090000 1.0080 0 3603 DPE 30 DPPE C38 CTL2 -0.180000 12.0110 0 3604 DPE 30 DPPE H8X HAL2 0.090000 1.0080 0 3605 DPE 30 DPPE H8Y HAL2 0.090000 1.0080 0 3606 DPE 30 DPPE C39 CTL2 -0.180000 12.0110 0 3607 DPE 30 DPPE H9X HAL2 0.090000 1.0080 0 3608 DPE 30 DPPE H9Y HAL2 0.090000 1.0080 0 3609 DPE 30 DPPE C310 CTL2 -0.180000 12.0110 0 3610 DPE 30 DPPE H10X HAL2 0.090000 1.0080 0 3611 DPE 30 DPPE H10Y HAL2 0.090000 1.0080 0 3612 DPE 30 DPPE C311 CTL2 -0.180000 12.0110 0 3613 DPE 30 DPPE H11X HAL2 0.090000 1.0080 0 3614 DPE 30 DPPE H11Y HAL2 0.090000 1.0080 0 3615 DPE 30 DPPE C312 CTL2 -0.180000 12.0110 0 3616 DPE 30 DPPE H12X HAL2 0.090000 1.0080 0 3617 DPE 30 DPPE H12Y HAL2 0.090000 1.0080 0 3618 DPE 30 DPPE C313 CTL2 -0.180000 12.0110 0 3619 DPE 30 DPPE H13X HAL2 0.090000 1.0080 0 3620 DPE 30 DPPE H13Y HAL2 0.090000 1.0080 0 3621 DPE 30 DPPE C314 CTL2 -0.180000 12.0110 0 3622 DPE 30 DPPE H14X HAL2 0.090000 1.0080 0 3623 DPE 30 DPPE H14Y HAL2 0.090000 1.0080 0 3624 DPE 30 DPPE C315 CTL2 -0.180000 12.0110 0 3625 DPE 30 DPPE H15X HAL2 0.090000 1.0080 0 3626 DPE 30 DPPE H15Y HAL2 0.090000 1.0080 0 3627 DPE 30 DPPE C316 CTL3 -0.270000 12.0110 0 3628 DPE 30 DPPE H16X HAL3 0.090000 1.0080 0 3629 DPE 30 DPPE H16Y HAL3 0.090000 1.0080 0 3630 DPE 30 DPPE H16Z HAL3 0.090000 1.0080 0 3631 DPE 31 DPPE N NH3L -0.300000 14.0070 0 3632 DPE 31 DPPE HN1 HCL 0.330000 1.0080 0 3633 DPE 31 DPPE HN2 HCL 0.330000 1.0080 0 3634 DPE 31 DPPE HN3 HCL 0.330000 1.0080 0 3635 DPE 31 DPPE C12 CTL2 0.130000 12.0110 0 3636 DPE 31 DPPE H12A HAL2 0.090000 1.0080 0 3637 DPE 31 DPPE H12B HAL2 0.090000 1.0080 0 3638 DPE 31 DPPE C11 CTL2 -0.080000 12.0110 0 3639 DPE 31 DPPE H11A HAL2 0.090000 1.0080 0 3640 DPE 31 DPPE H11B HAL2 0.090000 1.0080 0 3641 DPE 31 DPPE P PL 1.500000 30.9740 0 3642 DPE 31 DPPE O13 O2L -0.780000 15.9994 0 3643 DPE 31 DPPE O14 O2L -0.780000 15.9994 0 3644 DPE 31 DPPE O11 OSL -0.570000 15.9994 0 3645 DPE 31 DPPE O12 OSL -0.570000 15.9994 0 3646 DPE 31 DPPE C1 CTL2 -0.080000 12.0110 0 3647 DPE 31 DPPE HA HAL2 0.090000 1.0080 0 3648 DPE 31 DPPE HB HAL2 0.090000 1.0080 0 3649 DPE 31 DPPE C2 CTL1 0.040000 12.0110 0 3650 DPE 31 DPPE HS HAL1 0.090000 1.0080 0 3651 DPE 31 DPPE O21 OSL -0.340000 15.9994 0 3652 DPE 31 DPPE C21 CL 0.630000 12.0110 0 3653 DPE 31 DPPE O22 OBL -0.520000 15.9994 0 3654 DPE 31 DPPE C22 CTL2 -0.080000 12.0110 0 3655 DPE 31 DPPE H2R HAL2 0.090000 1.0080 0 3656 DPE 31 DPPE H2S HAL2 0.090000 1.0080 0 3657 DPE 31 DPPE C3 CTL2 -0.050000 12.0110 0 3658 DPE 31 DPPE HX HAL2 0.090000 1.0080 0 3659 DPE 31 DPPE HY HAL2 0.090000 1.0080 0 3660 DPE 31 DPPE O31 OSL -0.340000 15.9994 0 3661 DPE 31 DPPE C31 CL 0.630000 12.0110 0 3662 DPE 31 DPPE O32 OBL -0.520000 15.9994 0 3663 DPE 31 DPPE C32 CTL2 -0.080000 12.0110 0 3664 DPE 31 DPPE H2X HAL2 0.090000 1.0080 0 3665 DPE 31 DPPE H2Y HAL2 0.090000 1.0080 0 3666 DPE 31 DPPE C23 CTL2 -0.180000 12.0110 0 3667 DPE 31 DPPE H3R HAL2 0.090000 1.0080 0 3668 DPE 31 DPPE H3S HAL2 0.090000 1.0080 0 3669 DPE 31 DPPE C24 CTL2 -0.180000 12.0110 0 3670 DPE 31 DPPE H4R HAL2 0.090000 1.0080 0 3671 DPE 31 DPPE H4S HAL2 0.090000 1.0080 0 3672 DPE 31 DPPE C25 CTL2 -0.180000 12.0110 0 3673 DPE 31 DPPE H5R HAL2 0.090000 1.0080 0 3674 DPE 31 DPPE H5S HAL2 0.090000 1.0080 0 3675 DPE 31 DPPE C26 CTL2 -0.180000 12.0110 0 3676 DPE 31 DPPE H6R HAL2 0.090000 1.0080 0 3677 DPE 31 DPPE H6S HAL2 0.090000 1.0080 0 3678 DPE 31 DPPE C27 CTL2 -0.180000 12.0110 0 3679 DPE 31 DPPE H7R HAL2 0.090000 1.0080 0 3680 DPE 31 DPPE H7S HAL2 0.090000 1.0080 0 3681 DPE 31 DPPE C28 CTL2 -0.180000 12.0110 0 3682 DPE 31 DPPE H8R HAL2 0.090000 1.0080 0 3683 DPE 31 DPPE H8S HAL2 0.090000 1.0080 0 3684 DPE 31 DPPE C29 CTL2 -0.180000 12.0110 0 3685 DPE 31 DPPE H9R HAL2 0.090000 1.0080 0 3686 DPE 31 DPPE H9S HAL2 0.090000 1.0080 0 3687 DPE 31 DPPE C210 CTL2 -0.180000 12.0110 0 3688 DPE 31 DPPE H10R HAL2 0.090000 1.0080 0 3689 DPE 31 DPPE H10S HAL2 0.090000 1.0080 0 3690 DPE 31 DPPE C211 CTL2 -0.180000 12.0110 0 3691 DPE 31 DPPE H11R HAL2 0.090000 1.0080 0 3692 DPE 31 DPPE H11S HAL2 0.090000 1.0080 0 3693 DPE 31 DPPE C212 CTL2 -0.180000 12.0110 0 3694 DPE 31 DPPE H12R HAL2 0.090000 1.0080 0 3695 DPE 31 DPPE H12S HAL2 0.090000 1.0080 0 3696 DPE 31 DPPE C213 CTL2 -0.180000 12.0110 0 3697 DPE 31 DPPE H13R HAL2 0.090000 1.0080 0 3698 DPE 31 DPPE H13S HAL2 0.090000 1.0080 0 3699 DPE 31 DPPE C214 CTL2 -0.180000 12.0110 0 3700 DPE 31 DPPE H14R HAL2 0.090000 1.0080 0 3701 DPE 31 DPPE H14S HAL2 0.090000 1.0080 0 3702 DPE 31 DPPE C215 CTL2 -0.180000 12.0110 0 3703 DPE 31 DPPE H15R HAL2 0.090000 1.0080 0 3704 DPE 31 DPPE H15S HAL2 0.090000 1.0080 0 3705 DPE 31 DPPE C216 CTL3 -0.270000 12.0110 0 3706 DPE 31 DPPE H16R HAL3 0.090000 1.0080 0 3707 DPE 31 DPPE H16S HAL3 0.090000 1.0080 0 3708 DPE 31 DPPE H16T HAL3 0.090000 1.0080 0 3709 DPE 31 DPPE C33 CTL2 -0.180000 12.0110 0 3710 DPE 31 DPPE H3X HAL2 0.090000 1.0080 0 3711 DPE 31 DPPE H3Y HAL2 0.090000 1.0080 0 3712 DPE 31 DPPE C34 CTL2 -0.180000 12.0110 0 3713 DPE 31 DPPE H4X HAL2 0.090000 1.0080 0 3714 DPE 31 DPPE H4Y HAL2 0.090000 1.0080 0 3715 DPE 31 DPPE C35 CTL2 -0.180000 12.0110 0 3716 DPE 31 DPPE H5X HAL2 0.090000 1.0080 0 3717 DPE 31 DPPE H5Y HAL2 0.090000 1.0080 0 3718 DPE 31 DPPE C36 CTL2 -0.180000 12.0110 0 3719 DPE 31 DPPE H6X HAL2 0.090000 1.0080 0 3720 DPE 31 DPPE H6Y HAL2 0.090000 1.0080 0 3721 DPE 31 DPPE C37 CTL2 -0.180000 12.0110 0 3722 DPE 31 DPPE H7X HAL2 0.090000 1.0080 0 3723 DPE 31 DPPE H7Y HAL2 0.090000 1.0080 0 3724 DPE 31 DPPE C38 CTL2 -0.180000 12.0110 0 3725 DPE 31 DPPE H8X HAL2 0.090000 1.0080 0 3726 DPE 31 DPPE H8Y HAL2 0.090000 1.0080 0 3727 DPE 31 DPPE C39 CTL2 -0.180000 12.0110 0 3728 DPE 31 DPPE H9X HAL2 0.090000 1.0080 0 3729 DPE 31 DPPE H9Y HAL2 0.090000 1.0080 0 3730 DPE 31 DPPE C310 CTL2 -0.180000 12.0110 0 3731 DPE 31 DPPE H10X HAL2 0.090000 1.0080 0 3732 DPE 31 DPPE H10Y HAL2 0.090000 1.0080 0 3733 DPE 31 DPPE C311 CTL2 -0.180000 12.0110 0 3734 DPE 31 DPPE H11X HAL2 0.090000 1.0080 0 3735 DPE 31 DPPE H11Y HAL2 0.090000 1.0080 0 3736 DPE 31 DPPE C312 CTL2 -0.180000 12.0110 0 3737 DPE 31 DPPE H12X HAL2 0.090000 1.0080 0 3738 DPE 31 DPPE H12Y HAL2 0.090000 1.0080 0 3739 DPE 31 DPPE C313 CTL2 -0.180000 12.0110 0 3740 DPE 31 DPPE H13X HAL2 0.090000 1.0080 0 3741 DPE 31 DPPE H13Y HAL2 0.090000 1.0080 0 3742 DPE 31 DPPE C314 CTL2 -0.180000 12.0110 0 3743 DPE 31 DPPE H14X HAL2 0.090000 1.0080 0 3744 DPE 31 DPPE H14Y HAL2 0.090000 1.0080 0 3745 DPE 31 DPPE C315 CTL2 -0.180000 12.0110 0 3746 DPE 31 DPPE H15X HAL2 0.090000 1.0080 0 3747 DPE 31 DPPE H15Y HAL2 0.090000 1.0080 0 3748 DPE 31 DPPE C316 CTL3 -0.270000 12.0110 0 3749 DPE 31 DPPE H16X HAL3 0.090000 1.0080 0 3750 DPE 31 DPPE H16Y HAL3 0.090000 1.0080 0 3751 DPE 31 DPPE H16Z HAL3 0.090000 1.0080 0 3752 DPE 32 DPPE N NH3L -0.300000 14.0070 0 3753 DPE 32 DPPE HN1 HCL 0.330000 1.0080 0 3754 DPE 32 DPPE HN2 HCL 0.330000 1.0080 0 3755 DPE 32 DPPE HN3 HCL 0.330000 1.0080 0 3756 DPE 32 DPPE C12 CTL2 0.130000 12.0110 0 3757 DPE 32 DPPE H12A HAL2 0.090000 1.0080 0 3758 DPE 32 DPPE H12B HAL2 0.090000 1.0080 0 3759 DPE 32 DPPE C11 CTL2 -0.080000 12.0110 0 3760 DPE 32 DPPE H11A HAL2 0.090000 1.0080 0 3761 DPE 32 DPPE H11B HAL2 0.090000 1.0080 0 3762 DPE 32 DPPE P PL 1.500000 30.9740 0 3763 DPE 32 DPPE O13 O2L -0.780000 15.9994 0 3764 DPE 32 DPPE O14 O2L -0.780000 15.9994 0 3765 DPE 32 DPPE O11 OSL -0.570000 15.9994 0 3766 DPE 32 DPPE O12 OSL -0.570000 15.9994 0 3767 DPE 32 DPPE C1 CTL2 -0.080000 12.0110 0 3768 DPE 32 DPPE HA HAL2 0.090000 1.0080 0 3769 DPE 32 DPPE HB HAL2 0.090000 1.0080 0 3770 DPE 32 DPPE C2 CTL1 0.040000 12.0110 0 3771 DPE 32 DPPE HS HAL1 0.090000 1.0080 0 3772 DPE 32 DPPE O21 OSL -0.340000 15.9994 0 3773 DPE 32 DPPE C21 CL 0.630000 12.0110 0 3774 DPE 32 DPPE O22 OBL -0.520000 15.9994 0 3775 DPE 32 DPPE C22 CTL2 -0.080000 12.0110 0 3776 DPE 32 DPPE H2R HAL2 0.090000 1.0080 0 3777 DPE 32 DPPE H2S HAL2 0.090000 1.0080 0 3778 DPE 32 DPPE C3 CTL2 -0.050000 12.0110 0 3779 DPE 32 DPPE HX HAL2 0.090000 1.0080 0 3780 DPE 32 DPPE HY HAL2 0.090000 1.0080 0 3781 DPE 32 DPPE O31 OSL -0.340000 15.9994 0 3782 DPE 32 DPPE C31 CL 0.630000 12.0110 0 3783 DPE 32 DPPE O32 OBL -0.520000 15.9994 0 3784 DPE 32 DPPE C32 CTL2 -0.080000 12.0110 0 3785 DPE 32 DPPE H2X HAL2 0.090000 1.0080 0 3786 DPE 32 DPPE H2Y HAL2 0.090000 1.0080 0 3787 DPE 32 DPPE C23 CTL2 -0.180000 12.0110 0 3788 DPE 32 DPPE H3R HAL2 0.090000 1.0080 0 3789 DPE 32 DPPE H3S HAL2 0.090000 1.0080 0 3790 DPE 32 DPPE C24 CTL2 -0.180000 12.0110 0 3791 DPE 32 DPPE H4R HAL2 0.090000 1.0080 0 3792 DPE 32 DPPE H4S HAL2 0.090000 1.0080 0 3793 DPE 32 DPPE C25 CTL2 -0.180000 12.0110 0 3794 DPE 32 DPPE H5R HAL2 0.090000 1.0080 0 3795 DPE 32 DPPE H5S HAL2 0.090000 1.0080 0 3796 DPE 32 DPPE C26 CTL2 -0.180000 12.0110 0 3797 DPE 32 DPPE H6R HAL2 0.090000 1.0080 0 3798 DPE 32 DPPE H6S HAL2 0.090000 1.0080 0 3799 DPE 32 DPPE C27 CTL2 -0.180000 12.0110 0 3800 DPE 32 DPPE H7R HAL2 0.090000 1.0080 0 3801 DPE 32 DPPE H7S HAL2 0.090000 1.0080 0 3802 DPE 32 DPPE C28 CTL2 -0.180000 12.0110 0 3803 DPE 32 DPPE H8R HAL2 0.090000 1.0080 0 3804 DPE 32 DPPE H8S HAL2 0.090000 1.0080 0 3805 DPE 32 DPPE C29 CTL2 -0.180000 12.0110 0 3806 DPE 32 DPPE H9R HAL2 0.090000 1.0080 0 3807 DPE 32 DPPE H9S HAL2 0.090000 1.0080 0 3808 DPE 32 DPPE C210 CTL2 -0.180000 12.0110 0 3809 DPE 32 DPPE H10R HAL2 0.090000 1.0080 0 3810 DPE 32 DPPE H10S HAL2 0.090000 1.0080 0 3811 DPE 32 DPPE C211 CTL2 -0.180000 12.0110 0 3812 DPE 32 DPPE H11R HAL2 0.090000 1.0080 0 3813 DPE 32 DPPE H11S HAL2 0.090000 1.0080 0 3814 DPE 32 DPPE C212 CTL2 -0.180000 12.0110 0 3815 DPE 32 DPPE H12R HAL2 0.090000 1.0080 0 3816 DPE 32 DPPE H12S HAL2 0.090000 1.0080 0 3817 DPE 32 DPPE C213 CTL2 -0.180000 12.0110 0 3818 DPE 32 DPPE H13R HAL2 0.090000 1.0080 0 3819 DPE 32 DPPE H13S HAL2 0.090000 1.0080 0 3820 DPE 32 DPPE C214 CTL2 -0.180000 12.0110 0 3821 DPE 32 DPPE H14R HAL2 0.090000 1.0080 0 3822 DPE 32 DPPE H14S HAL2 0.090000 1.0080 0 3823 DPE 32 DPPE C215 CTL2 -0.180000 12.0110 0 3824 DPE 32 DPPE H15R HAL2 0.090000 1.0080 0 3825 DPE 32 DPPE H15S HAL2 0.090000 1.0080 0 3826 DPE 32 DPPE C216 CTL3 -0.270000 12.0110 0 3827 DPE 32 DPPE H16R HAL3 0.090000 1.0080 0 3828 DPE 32 DPPE H16S HAL3 0.090000 1.0080 0 3829 DPE 32 DPPE H16T HAL3 0.090000 1.0080 0 3830 DPE 32 DPPE C33 CTL2 -0.180000 12.0110 0 3831 DPE 32 DPPE H3X HAL2 0.090000 1.0080 0 3832 DPE 32 DPPE H3Y HAL2 0.090000 1.0080 0 3833 DPE 32 DPPE C34 CTL2 -0.180000 12.0110 0 3834 DPE 32 DPPE H4X HAL2 0.090000 1.0080 0 3835 DPE 32 DPPE H4Y HAL2 0.090000 1.0080 0 3836 DPE 32 DPPE C35 CTL2 -0.180000 12.0110 0 3837 DPE 32 DPPE H5X HAL2 0.090000 1.0080 0 3838 DPE 32 DPPE H5Y HAL2 0.090000 1.0080 0 3839 DPE 32 DPPE C36 CTL2 -0.180000 12.0110 0 3840 DPE 32 DPPE H6X HAL2 0.090000 1.0080 0 3841 DPE 32 DPPE H6Y HAL2 0.090000 1.0080 0 3842 DPE 32 DPPE C37 CTL2 -0.180000 12.0110 0 3843 DPE 32 DPPE H7X HAL2 0.090000 1.0080 0 3844 DPE 32 DPPE H7Y HAL2 0.090000 1.0080 0 3845 DPE 32 DPPE C38 CTL2 -0.180000 12.0110 0 3846 DPE 32 DPPE H8X HAL2 0.090000 1.0080 0 3847 DPE 32 DPPE H8Y HAL2 0.090000 1.0080 0 3848 DPE 32 DPPE C39 CTL2 -0.180000 12.0110 0 3849 DPE 32 DPPE H9X HAL2 0.090000 1.0080 0 3850 DPE 32 DPPE H9Y HAL2 0.090000 1.0080 0 3851 DPE 32 DPPE C310 CTL2 -0.180000 12.0110 0 3852 DPE 32 DPPE H10X HAL2 0.090000 1.0080 0 3853 DPE 32 DPPE H10Y HAL2 0.090000 1.0080 0 3854 DPE 32 DPPE C311 CTL2 -0.180000 12.0110 0 3855 DPE 32 DPPE H11X HAL2 0.090000 1.0080 0 3856 DPE 32 DPPE H11Y HAL2 0.090000 1.0080 0 3857 DPE 32 DPPE C312 CTL2 -0.180000 12.0110 0 3858 DPE 32 DPPE H12X HAL2 0.090000 1.0080 0 3859 DPE 32 DPPE H12Y HAL2 0.090000 1.0080 0 3860 DPE 32 DPPE C313 CTL2 -0.180000 12.0110 0 3861 DPE 32 DPPE H13X HAL2 0.090000 1.0080 0 3862 DPE 32 DPPE H13Y HAL2 0.090000 1.0080 0 3863 DPE 32 DPPE C314 CTL2 -0.180000 12.0110 0 3864 DPE 32 DPPE H14X HAL2 0.090000 1.0080 0 3865 DPE 32 DPPE H14Y HAL2 0.090000 1.0080 0 3866 DPE 32 DPPE C315 CTL2 -0.180000 12.0110 0 3867 DPE 32 DPPE H15X HAL2 0.090000 1.0080 0 3868 DPE 32 DPPE H15Y HAL2 0.090000 1.0080 0 3869 DPE 32 DPPE C316 CTL3 -0.270000 12.0110 0 3870 DPE 32 DPPE H16X HAL3 0.090000 1.0080 0 3871 DPE 32 DPPE H16Y HAL3 0.090000 1.0080 0 3872 DPE 32 DPPE H16Z HAL3 0.090000 1.0080 0 3873 DPE 33 DPPE N NH3L -0.300000 14.0070 0 3874 DPE 33 DPPE HN1 HCL 0.330000 1.0080 0 3875 DPE 33 DPPE HN2 HCL 0.330000 1.0080 0 3876 DPE 33 DPPE HN3 HCL 0.330000 1.0080 0 3877 DPE 33 DPPE C12 CTL2 0.130000 12.0110 0 3878 DPE 33 DPPE H12A HAL2 0.090000 1.0080 0 3879 DPE 33 DPPE H12B HAL2 0.090000 1.0080 0 3880 DPE 33 DPPE C11 CTL2 -0.080000 12.0110 0 3881 DPE 33 DPPE H11A HAL2 0.090000 1.0080 0 3882 DPE 33 DPPE H11B HAL2 0.090000 1.0080 0 3883 DPE 33 DPPE P PL 1.500000 30.9740 0 3884 DPE 33 DPPE O13 O2L -0.780000 15.9994 0 3885 DPE 33 DPPE O14 O2L -0.780000 15.9994 0 3886 DPE 33 DPPE O11 OSL -0.570000 15.9994 0 3887 DPE 33 DPPE O12 OSL -0.570000 15.9994 0 3888 DPE 33 DPPE C1 CTL2 -0.080000 12.0110 0 3889 DPE 33 DPPE HA HAL2 0.090000 1.0080 0 3890 DPE 33 DPPE HB HAL2 0.090000 1.0080 0 3891 DPE 33 DPPE C2 CTL1 0.040000 12.0110 0 3892 DPE 33 DPPE HS HAL1 0.090000 1.0080 0 3893 DPE 33 DPPE O21 OSL -0.340000 15.9994 0 3894 DPE 33 DPPE C21 CL 0.630000 12.0110 0 3895 DPE 33 DPPE O22 OBL -0.520000 15.9994 0 3896 DPE 33 DPPE C22 CTL2 -0.080000 12.0110 0 3897 DPE 33 DPPE H2R HAL2 0.090000 1.0080 0 3898 DPE 33 DPPE H2S HAL2 0.090000 1.0080 0 3899 DPE 33 DPPE C3 CTL2 -0.050000 12.0110 0 3900 DPE 33 DPPE HX HAL2 0.090000 1.0080 0 3901 DPE 33 DPPE HY HAL2 0.090000 1.0080 0 3902 DPE 33 DPPE O31 OSL -0.340000 15.9994 0 3903 DPE 33 DPPE C31 CL 0.630000 12.0110 0 3904 DPE 33 DPPE O32 OBL -0.520000 15.9994 0 3905 DPE 33 DPPE C32 CTL2 -0.080000 12.0110 0 3906 DPE 33 DPPE H2X HAL2 0.090000 1.0080 0 3907 DPE 33 DPPE H2Y HAL2 0.090000 1.0080 0 3908 DPE 33 DPPE C23 CTL2 -0.180000 12.0110 0 3909 DPE 33 DPPE H3R HAL2 0.090000 1.0080 0 3910 DPE 33 DPPE H3S HAL2 0.090000 1.0080 0 3911 DPE 33 DPPE C24 CTL2 -0.180000 12.0110 0 3912 DPE 33 DPPE H4R HAL2 0.090000 1.0080 0 3913 DPE 33 DPPE H4S HAL2 0.090000 1.0080 0 3914 DPE 33 DPPE C25 CTL2 -0.180000 12.0110 0 3915 DPE 33 DPPE H5R HAL2 0.090000 1.0080 0 3916 DPE 33 DPPE H5S HAL2 0.090000 1.0080 0 3917 DPE 33 DPPE C26 CTL2 -0.180000 12.0110 0 3918 DPE 33 DPPE H6R HAL2 0.090000 1.0080 0 3919 DPE 33 DPPE H6S HAL2 0.090000 1.0080 0 3920 DPE 33 DPPE C27 CTL2 -0.180000 12.0110 0 3921 DPE 33 DPPE H7R HAL2 0.090000 1.0080 0 3922 DPE 33 DPPE H7S HAL2 0.090000 1.0080 0 3923 DPE 33 DPPE C28 CTL2 -0.180000 12.0110 0 3924 DPE 33 DPPE H8R HAL2 0.090000 1.0080 0 3925 DPE 33 DPPE H8S HAL2 0.090000 1.0080 0 3926 DPE 33 DPPE C29 CTL2 -0.180000 12.0110 0 3927 DPE 33 DPPE H9R HAL2 0.090000 1.0080 0 3928 DPE 33 DPPE H9S HAL2 0.090000 1.0080 0 3929 DPE 33 DPPE C210 CTL2 -0.180000 12.0110 0 3930 DPE 33 DPPE H10R HAL2 0.090000 1.0080 0 3931 DPE 33 DPPE H10S HAL2 0.090000 1.0080 0 3932 DPE 33 DPPE C211 CTL2 -0.180000 12.0110 0 3933 DPE 33 DPPE H11R HAL2 0.090000 1.0080 0 3934 DPE 33 DPPE H11S HAL2 0.090000 1.0080 0 3935 DPE 33 DPPE C212 CTL2 -0.180000 12.0110 0 3936 DPE 33 DPPE H12R HAL2 0.090000 1.0080 0 3937 DPE 33 DPPE H12S HAL2 0.090000 1.0080 0 3938 DPE 33 DPPE C213 CTL2 -0.180000 12.0110 0 3939 DPE 33 DPPE H13R HAL2 0.090000 1.0080 0 3940 DPE 33 DPPE H13S HAL2 0.090000 1.0080 0 3941 DPE 33 DPPE C214 CTL2 -0.180000 12.0110 0 3942 DPE 33 DPPE H14R HAL2 0.090000 1.0080 0 3943 DPE 33 DPPE H14S HAL2 0.090000 1.0080 0 3944 DPE 33 DPPE C215 CTL2 -0.180000 12.0110 0 3945 DPE 33 DPPE H15R HAL2 0.090000 1.0080 0 3946 DPE 33 DPPE H15S HAL2 0.090000 1.0080 0 3947 DPE 33 DPPE C216 CTL3 -0.270000 12.0110 0 3948 DPE 33 DPPE H16R HAL3 0.090000 1.0080 0 3949 DPE 33 DPPE H16S HAL3 0.090000 1.0080 0 3950 DPE 33 DPPE H16T HAL3 0.090000 1.0080 0 3951 DPE 33 DPPE C33 CTL2 -0.180000 12.0110 0 3952 DPE 33 DPPE H3X HAL2 0.090000 1.0080 0 3953 DPE 33 DPPE H3Y HAL2 0.090000 1.0080 0 3954 DPE 33 DPPE C34 CTL2 -0.180000 12.0110 0 3955 DPE 33 DPPE H4X HAL2 0.090000 1.0080 0 3956 DPE 33 DPPE H4Y HAL2 0.090000 1.0080 0 3957 DPE 33 DPPE C35 CTL2 -0.180000 12.0110 0 3958 DPE 33 DPPE H5X HAL2 0.090000 1.0080 0 3959 DPE 33 DPPE H5Y HAL2 0.090000 1.0080 0 3960 DPE 33 DPPE C36 CTL2 -0.180000 12.0110 0 3961 DPE 33 DPPE H6X HAL2 0.090000 1.0080 0 3962 DPE 33 DPPE H6Y HAL2 0.090000 1.0080 0 3963 DPE 33 DPPE C37 CTL2 -0.180000 12.0110 0 3964 DPE 33 DPPE H7X HAL2 0.090000 1.0080 0 3965 DPE 33 DPPE H7Y HAL2 0.090000 1.0080 0 3966 DPE 33 DPPE C38 CTL2 -0.180000 12.0110 0 3967 DPE 33 DPPE H8X HAL2 0.090000 1.0080 0 3968 DPE 33 DPPE H8Y HAL2 0.090000 1.0080 0 3969 DPE 33 DPPE C39 CTL2 -0.180000 12.0110 0 3970 DPE 33 DPPE H9X HAL2 0.090000 1.0080 0 3971 DPE 33 DPPE H9Y HAL2 0.090000 1.0080 0 3972 DPE 33 DPPE C310 CTL2 -0.180000 12.0110 0 3973 DPE 33 DPPE H10X HAL2 0.090000 1.0080 0 3974 DPE 33 DPPE H10Y HAL2 0.090000 1.0080 0 3975 DPE 33 DPPE C311 CTL2 -0.180000 12.0110 0 3976 DPE 33 DPPE H11X HAL2 0.090000 1.0080 0 3977 DPE 33 DPPE H11Y HAL2 0.090000 1.0080 0 3978 DPE 33 DPPE C312 CTL2 -0.180000 12.0110 0 3979 DPE 33 DPPE H12X HAL2 0.090000 1.0080 0 3980 DPE 33 DPPE H12Y HAL2 0.090000 1.0080 0 3981 DPE 33 DPPE C313 CTL2 -0.180000 12.0110 0 3982 DPE 33 DPPE H13X HAL2 0.090000 1.0080 0 3983 DPE 33 DPPE H13Y HAL2 0.090000 1.0080 0 3984 DPE 33 DPPE C314 CTL2 -0.180000 12.0110 0 3985 DPE 33 DPPE H14X HAL2 0.090000 1.0080 0 3986 DPE 33 DPPE H14Y HAL2 0.090000 1.0080 0 3987 DPE 33 DPPE C315 CTL2 -0.180000 12.0110 0 3988 DPE 33 DPPE H15X HAL2 0.090000 1.0080 0 3989 DPE 33 DPPE H15Y HAL2 0.090000 1.0080 0 3990 DPE 33 DPPE C316 CTL3 -0.270000 12.0110 0 3991 DPE 33 DPPE H16X HAL3 0.090000 1.0080 0 3992 DPE 33 DPPE H16Y HAL3 0.090000 1.0080 0 3993 DPE 33 DPPE H16Z HAL3 0.090000 1.0080 0 3994 DPE 34 DPPE N NH3L -0.300000 14.0070 0 3995 DPE 34 DPPE HN1 HCL 0.330000 1.0080 0 3996 DPE 34 DPPE HN2 HCL 0.330000 1.0080 0 3997 DPE 34 DPPE HN3 HCL 0.330000 1.0080 0 3998 DPE 34 DPPE C12 CTL2 0.130000 12.0110 0 3999 DPE 34 DPPE H12A HAL2 0.090000 1.0080 0 4000 DPE 34 DPPE H12B HAL2 0.090000 1.0080 0 4001 DPE 34 DPPE C11 CTL2 -0.080000 12.0110 0 4002 DPE 34 DPPE H11A HAL2 0.090000 1.0080 0 4003 DPE 34 DPPE H11B HAL2 0.090000 1.0080 0 4004 DPE 34 DPPE P PL 1.500000 30.9740 0 4005 DPE 34 DPPE O13 O2L -0.780000 15.9994 0 4006 DPE 34 DPPE O14 O2L -0.780000 15.9994 0 4007 DPE 34 DPPE O11 OSL -0.570000 15.9994 0 4008 DPE 34 DPPE O12 OSL -0.570000 15.9994 0 4009 DPE 34 DPPE C1 CTL2 -0.080000 12.0110 0 4010 DPE 34 DPPE HA HAL2 0.090000 1.0080 0 4011 DPE 34 DPPE HB HAL2 0.090000 1.0080 0 4012 DPE 34 DPPE C2 CTL1 0.040000 12.0110 0 4013 DPE 34 DPPE HS HAL1 0.090000 1.0080 0 4014 DPE 34 DPPE O21 OSL -0.340000 15.9994 0 4015 DPE 34 DPPE C21 CL 0.630000 12.0110 0 4016 DPE 34 DPPE O22 OBL -0.520000 15.9994 0 4017 DPE 34 DPPE C22 CTL2 -0.080000 12.0110 0 4018 DPE 34 DPPE H2R HAL2 0.090000 1.0080 0 4019 DPE 34 DPPE H2S HAL2 0.090000 1.0080 0 4020 DPE 34 DPPE C3 CTL2 -0.050000 12.0110 0 4021 DPE 34 DPPE HX HAL2 0.090000 1.0080 0 4022 DPE 34 DPPE HY HAL2 0.090000 1.0080 0 4023 DPE 34 DPPE O31 OSL -0.340000 15.9994 0 4024 DPE 34 DPPE C31 CL 0.630000 12.0110 0 4025 DPE 34 DPPE O32 OBL -0.520000 15.9994 0 4026 DPE 34 DPPE C32 CTL2 -0.080000 12.0110 0 4027 DPE 34 DPPE H2X HAL2 0.090000 1.0080 0 4028 DPE 34 DPPE H2Y HAL2 0.090000 1.0080 0 4029 DPE 34 DPPE C23 CTL2 -0.180000 12.0110 0 4030 DPE 34 DPPE H3R HAL2 0.090000 1.0080 0 4031 DPE 34 DPPE H3S HAL2 0.090000 1.0080 0 4032 DPE 34 DPPE C24 CTL2 -0.180000 12.0110 0 4033 DPE 34 DPPE H4R HAL2 0.090000 1.0080 0 4034 DPE 34 DPPE H4S HAL2 0.090000 1.0080 0 4035 DPE 34 DPPE C25 CTL2 -0.180000 12.0110 0 4036 DPE 34 DPPE H5R HAL2 0.090000 1.0080 0 4037 DPE 34 DPPE H5S HAL2 0.090000 1.0080 0 4038 DPE 34 DPPE C26 CTL2 -0.180000 12.0110 0 4039 DPE 34 DPPE H6R HAL2 0.090000 1.0080 0 4040 DPE 34 DPPE H6S HAL2 0.090000 1.0080 0 4041 DPE 34 DPPE C27 CTL2 -0.180000 12.0110 0 4042 DPE 34 DPPE H7R HAL2 0.090000 1.0080 0 4043 DPE 34 DPPE H7S HAL2 0.090000 1.0080 0 4044 DPE 34 DPPE C28 CTL2 -0.180000 12.0110 0 4045 DPE 34 DPPE H8R HAL2 0.090000 1.0080 0 4046 DPE 34 DPPE H8S HAL2 0.090000 1.0080 0 4047 DPE 34 DPPE C29 CTL2 -0.180000 12.0110 0 4048 DPE 34 DPPE H9R HAL2 0.090000 1.0080 0 4049 DPE 34 DPPE H9S HAL2 0.090000 1.0080 0 4050 DPE 34 DPPE C210 CTL2 -0.180000 12.0110 0 4051 DPE 34 DPPE H10R HAL2 0.090000 1.0080 0 4052 DPE 34 DPPE H10S HAL2 0.090000 1.0080 0 4053 DPE 34 DPPE C211 CTL2 -0.180000 12.0110 0 4054 DPE 34 DPPE H11R HAL2 0.090000 1.0080 0 4055 DPE 34 DPPE H11S HAL2 0.090000 1.0080 0 4056 DPE 34 DPPE C212 CTL2 -0.180000 12.0110 0 4057 DPE 34 DPPE H12R HAL2 0.090000 1.0080 0 4058 DPE 34 DPPE H12S HAL2 0.090000 1.0080 0 4059 DPE 34 DPPE C213 CTL2 -0.180000 12.0110 0 4060 DPE 34 DPPE H13R HAL2 0.090000 1.0080 0 4061 DPE 34 DPPE H13S HAL2 0.090000 1.0080 0 4062 DPE 34 DPPE C214 CTL2 -0.180000 12.0110 0 4063 DPE 34 DPPE H14R HAL2 0.090000 1.0080 0 4064 DPE 34 DPPE H14S HAL2 0.090000 1.0080 0 4065 DPE 34 DPPE C215 CTL2 -0.180000 12.0110 0 4066 DPE 34 DPPE H15R HAL2 0.090000 1.0080 0 4067 DPE 34 DPPE H15S HAL2 0.090000 1.0080 0 4068 DPE 34 DPPE C216 CTL3 -0.270000 12.0110 0 4069 DPE 34 DPPE H16R HAL3 0.090000 1.0080 0 4070 DPE 34 DPPE H16S HAL3 0.090000 1.0080 0 4071 DPE 34 DPPE H16T HAL3 0.090000 1.0080 0 4072 DPE 34 DPPE C33 CTL2 -0.180000 12.0110 0 4073 DPE 34 DPPE H3X HAL2 0.090000 1.0080 0 4074 DPE 34 DPPE H3Y HAL2 0.090000 1.0080 0 4075 DPE 34 DPPE C34 CTL2 -0.180000 12.0110 0 4076 DPE 34 DPPE H4X HAL2 0.090000 1.0080 0 4077 DPE 34 DPPE H4Y HAL2 0.090000 1.0080 0 4078 DPE 34 DPPE C35 CTL2 -0.180000 12.0110 0 4079 DPE 34 DPPE H5X HAL2 0.090000 1.0080 0 4080 DPE 34 DPPE H5Y HAL2 0.090000 1.0080 0 4081 DPE 34 DPPE C36 CTL2 -0.180000 12.0110 0 4082 DPE 34 DPPE H6X HAL2 0.090000 1.0080 0 4083 DPE 34 DPPE H6Y HAL2 0.090000 1.0080 0 4084 DPE 34 DPPE C37 CTL2 -0.180000 12.0110 0 4085 DPE 34 DPPE H7X HAL2 0.090000 1.0080 0 4086 DPE 34 DPPE H7Y HAL2 0.090000 1.0080 0 4087 DPE 34 DPPE C38 CTL2 -0.180000 12.0110 0 4088 DPE 34 DPPE H8X HAL2 0.090000 1.0080 0 4089 DPE 34 DPPE H8Y HAL2 0.090000 1.0080 0 4090 DPE 34 DPPE C39 CTL2 -0.180000 12.0110 0 4091 DPE 34 DPPE H9X HAL2 0.090000 1.0080 0 4092 DPE 34 DPPE H9Y HAL2 0.090000 1.0080 0 4093 DPE 34 DPPE C310 CTL2 -0.180000 12.0110 0 4094 DPE 34 DPPE H10X HAL2 0.090000 1.0080 0 4095 DPE 34 DPPE H10Y HAL2 0.090000 1.0080 0 4096 DPE 34 DPPE C311 CTL2 -0.180000 12.0110 0 4097 DPE 34 DPPE H11X HAL2 0.090000 1.0080 0 4098 DPE 34 DPPE H11Y HAL2 0.090000 1.0080 0 4099 DPE 34 DPPE C312 CTL2 -0.180000 12.0110 0 4100 DPE 34 DPPE H12X HAL2 0.090000 1.0080 0 4101 DPE 34 DPPE H12Y HAL2 0.090000 1.0080 0 4102 DPE 34 DPPE C313 CTL2 -0.180000 12.0110 0 4103 DPE 34 DPPE H13X HAL2 0.090000 1.0080 0 4104 DPE 34 DPPE H13Y HAL2 0.090000 1.0080 0 4105 DPE 34 DPPE C314 CTL2 -0.180000 12.0110 0 4106 DPE 34 DPPE H14X HAL2 0.090000 1.0080 0 4107 DPE 34 DPPE H14Y HAL2 0.090000 1.0080 0 4108 DPE 34 DPPE C315 CTL2 -0.180000 12.0110 0 4109 DPE 34 DPPE H15X HAL2 0.090000 1.0080 0 4110 DPE 34 DPPE H15Y HAL2 0.090000 1.0080 0 4111 DPE 34 DPPE C316 CTL3 -0.270000 12.0110 0 4112 DPE 34 DPPE H16X HAL3 0.090000 1.0080 0 4113 DPE 34 DPPE H16Y HAL3 0.090000 1.0080 0 4114 DPE 34 DPPE H16Z HAL3 0.090000 1.0080 0 4115 DPE 35 DPPE N NH3L -0.300000 14.0070 0 4116 DPE 35 DPPE HN1 HCL 0.330000 1.0080 0 4117 DPE 35 DPPE HN2 HCL 0.330000 1.0080 0 4118 DPE 35 DPPE HN3 HCL 0.330000 1.0080 0 4119 DPE 35 DPPE C12 CTL2 0.130000 12.0110 0 4120 DPE 35 DPPE H12A HAL2 0.090000 1.0080 0 4121 DPE 35 DPPE H12B HAL2 0.090000 1.0080 0 4122 DPE 35 DPPE C11 CTL2 -0.080000 12.0110 0 4123 DPE 35 DPPE H11A HAL2 0.090000 1.0080 0 4124 DPE 35 DPPE H11B HAL2 0.090000 1.0080 0 4125 DPE 35 DPPE P PL 1.500000 30.9740 0 4126 DPE 35 DPPE O13 O2L -0.780000 15.9994 0 4127 DPE 35 DPPE O14 O2L -0.780000 15.9994 0 4128 DPE 35 DPPE O11 OSL -0.570000 15.9994 0 4129 DPE 35 DPPE O12 OSL -0.570000 15.9994 0 4130 DPE 35 DPPE C1 CTL2 -0.080000 12.0110 0 4131 DPE 35 DPPE HA HAL2 0.090000 1.0080 0 4132 DPE 35 DPPE HB HAL2 0.090000 1.0080 0 4133 DPE 35 DPPE C2 CTL1 0.040000 12.0110 0 4134 DPE 35 DPPE HS HAL1 0.090000 1.0080 0 4135 DPE 35 DPPE O21 OSL -0.340000 15.9994 0 4136 DPE 35 DPPE C21 CL 0.630000 12.0110 0 4137 DPE 35 DPPE O22 OBL -0.520000 15.9994 0 4138 DPE 35 DPPE C22 CTL2 -0.080000 12.0110 0 4139 DPE 35 DPPE H2R HAL2 0.090000 1.0080 0 4140 DPE 35 DPPE H2S HAL2 0.090000 1.0080 0 4141 DPE 35 DPPE C3 CTL2 -0.050000 12.0110 0 4142 DPE 35 DPPE HX HAL2 0.090000 1.0080 0 4143 DPE 35 DPPE HY HAL2 0.090000 1.0080 0 4144 DPE 35 DPPE O31 OSL -0.340000 15.9994 0 4145 DPE 35 DPPE C31 CL 0.630000 12.0110 0 4146 DPE 35 DPPE O32 OBL -0.520000 15.9994 0 4147 DPE 35 DPPE C32 CTL2 -0.080000 12.0110 0 4148 DPE 35 DPPE H2X HAL2 0.090000 1.0080 0 4149 DPE 35 DPPE H2Y HAL2 0.090000 1.0080 0 4150 DPE 35 DPPE C23 CTL2 -0.180000 12.0110 0 4151 DPE 35 DPPE H3R HAL2 0.090000 1.0080 0 4152 DPE 35 DPPE H3S HAL2 0.090000 1.0080 0 4153 DPE 35 DPPE C24 CTL2 -0.180000 12.0110 0 4154 DPE 35 DPPE H4R HAL2 0.090000 1.0080 0 4155 DPE 35 DPPE H4S HAL2 0.090000 1.0080 0 4156 DPE 35 DPPE C25 CTL2 -0.180000 12.0110 0 4157 DPE 35 DPPE H5R HAL2 0.090000 1.0080 0 4158 DPE 35 DPPE H5S HAL2 0.090000 1.0080 0 4159 DPE 35 DPPE C26 CTL2 -0.180000 12.0110 0 4160 DPE 35 DPPE H6R HAL2 0.090000 1.0080 0 4161 DPE 35 DPPE H6S HAL2 0.090000 1.0080 0 4162 DPE 35 DPPE C27 CTL2 -0.180000 12.0110 0 4163 DPE 35 DPPE H7R HAL2 0.090000 1.0080 0 4164 DPE 35 DPPE H7S HAL2 0.090000 1.0080 0 4165 DPE 35 DPPE C28 CTL2 -0.180000 12.0110 0 4166 DPE 35 DPPE H8R HAL2 0.090000 1.0080 0 4167 DPE 35 DPPE H8S HAL2 0.090000 1.0080 0 4168 DPE 35 DPPE C29 CTL2 -0.180000 12.0110 0 4169 DPE 35 DPPE H9R HAL2 0.090000 1.0080 0 4170 DPE 35 DPPE H9S HAL2 0.090000 1.0080 0 4171 DPE 35 DPPE C210 CTL2 -0.180000 12.0110 0 4172 DPE 35 DPPE H10R HAL2 0.090000 1.0080 0 4173 DPE 35 DPPE H10S HAL2 0.090000 1.0080 0 4174 DPE 35 DPPE C211 CTL2 -0.180000 12.0110 0 4175 DPE 35 DPPE H11R HAL2 0.090000 1.0080 0 4176 DPE 35 DPPE H11S HAL2 0.090000 1.0080 0 4177 DPE 35 DPPE C212 CTL2 -0.180000 12.0110 0 4178 DPE 35 DPPE H12R HAL2 0.090000 1.0080 0 4179 DPE 35 DPPE H12S HAL2 0.090000 1.0080 0 4180 DPE 35 DPPE C213 CTL2 -0.180000 12.0110 0 4181 DPE 35 DPPE H13R HAL2 0.090000 1.0080 0 4182 DPE 35 DPPE H13S HAL2 0.090000 1.0080 0 4183 DPE 35 DPPE C214 CTL2 -0.180000 12.0110 0 4184 DPE 35 DPPE H14R HAL2 0.090000 1.0080 0 4185 DPE 35 DPPE H14S HAL2 0.090000 1.0080 0 4186 DPE 35 DPPE C215 CTL2 -0.180000 12.0110 0 4187 DPE 35 DPPE H15R HAL2 0.090000 1.0080 0 4188 DPE 35 DPPE H15S HAL2 0.090000 1.0080 0 4189 DPE 35 DPPE C216 CTL3 -0.270000 12.0110 0 4190 DPE 35 DPPE H16R HAL3 0.090000 1.0080 0 4191 DPE 35 DPPE H16S HAL3 0.090000 1.0080 0 4192 DPE 35 DPPE H16T HAL3 0.090000 1.0080 0 4193 DPE 35 DPPE C33 CTL2 -0.180000 12.0110 0 4194 DPE 35 DPPE H3X HAL2 0.090000 1.0080 0 4195 DPE 35 DPPE H3Y HAL2 0.090000 1.0080 0 4196 DPE 35 DPPE C34 CTL2 -0.180000 12.0110 0 4197 DPE 35 DPPE H4X HAL2 0.090000 1.0080 0 4198 DPE 35 DPPE H4Y HAL2 0.090000 1.0080 0 4199 DPE 35 DPPE C35 CTL2 -0.180000 12.0110 0 4200 DPE 35 DPPE H5X HAL2 0.090000 1.0080 0 4201 DPE 35 DPPE H5Y HAL2 0.090000 1.0080 0 4202 DPE 35 DPPE C36 CTL2 -0.180000 12.0110 0 4203 DPE 35 DPPE H6X HAL2 0.090000 1.0080 0 4204 DPE 35 DPPE H6Y HAL2 0.090000 1.0080 0 4205 DPE 35 DPPE C37 CTL2 -0.180000 12.0110 0 4206 DPE 35 DPPE H7X HAL2 0.090000 1.0080 0 4207 DPE 35 DPPE H7Y HAL2 0.090000 1.0080 0 4208 DPE 35 DPPE C38 CTL2 -0.180000 12.0110 0 4209 DPE 35 DPPE H8X HAL2 0.090000 1.0080 0 4210 DPE 35 DPPE H8Y HAL2 0.090000 1.0080 0 4211 DPE 35 DPPE C39 CTL2 -0.180000 12.0110 0 4212 DPE 35 DPPE H9X HAL2 0.090000 1.0080 0 4213 DPE 35 DPPE H9Y HAL2 0.090000 1.0080 0 4214 DPE 35 DPPE C310 CTL2 -0.180000 12.0110 0 4215 DPE 35 DPPE H10X HAL2 0.090000 1.0080 0 4216 DPE 35 DPPE H10Y HAL2 0.090000 1.0080 0 4217 DPE 35 DPPE C311 CTL2 -0.180000 12.0110 0 4218 DPE 35 DPPE H11X HAL2 0.090000 1.0080 0 4219 DPE 35 DPPE H11Y HAL2 0.090000 1.0080 0 4220 DPE 35 DPPE C312 CTL2 -0.180000 12.0110 0 4221 DPE 35 DPPE H12X HAL2 0.090000 1.0080 0 4222 DPE 35 DPPE H12Y HAL2 0.090000 1.0080 0 4223 DPE 35 DPPE C313 CTL2 -0.180000 12.0110 0 4224 DPE 35 DPPE H13X HAL2 0.090000 1.0080 0 4225 DPE 35 DPPE H13Y HAL2 0.090000 1.0080 0 4226 DPE 35 DPPE C314 CTL2 -0.180000 12.0110 0 4227 DPE 35 DPPE H14X HAL2 0.090000 1.0080 0 4228 DPE 35 DPPE H14Y HAL2 0.090000 1.0080 0 4229 DPE 35 DPPE C315 CTL2 -0.180000 12.0110 0 4230 DPE 35 DPPE H15X HAL2 0.090000 1.0080 0 4231 DPE 35 DPPE H15Y HAL2 0.090000 1.0080 0 4232 DPE 35 DPPE C316 CTL3 -0.270000 12.0110 0 4233 DPE 35 DPPE H16X HAL3 0.090000 1.0080 0 4234 DPE 35 DPPE H16Y HAL3 0.090000 1.0080 0 4235 DPE 35 DPPE H16Z HAL3 0.090000 1.0080 0 4236 DPE 36 DPPE N NH3L -0.300000 14.0070 0 4237 DPE 36 DPPE HN1 HCL 0.330000 1.0080 0 4238 DPE 36 DPPE HN2 HCL 0.330000 1.0080 0 4239 DPE 36 DPPE HN3 HCL 0.330000 1.0080 0 4240 DPE 36 DPPE C12 CTL2 0.130000 12.0110 0 4241 DPE 36 DPPE H12A HAL2 0.090000 1.0080 0 4242 DPE 36 DPPE H12B HAL2 0.090000 1.0080 0 4243 DPE 36 DPPE C11 CTL2 -0.080000 12.0110 0 4244 DPE 36 DPPE H11A HAL2 0.090000 1.0080 0 4245 DPE 36 DPPE H11B HAL2 0.090000 1.0080 0 4246 DPE 36 DPPE P PL 1.500000 30.9740 0 4247 DPE 36 DPPE O13 O2L -0.780000 15.9994 0 4248 DPE 36 DPPE O14 O2L -0.780000 15.9994 0 4249 DPE 36 DPPE O11 OSL -0.570000 15.9994 0 4250 DPE 36 DPPE O12 OSL -0.570000 15.9994 0 4251 DPE 36 DPPE C1 CTL2 -0.080000 12.0110 0 4252 DPE 36 DPPE HA HAL2 0.090000 1.0080 0 4253 DPE 36 DPPE HB HAL2 0.090000 1.0080 0 4254 DPE 36 DPPE C2 CTL1 0.040000 12.0110 0 4255 DPE 36 DPPE HS HAL1 0.090000 1.0080 0 4256 DPE 36 DPPE O21 OSL -0.340000 15.9994 0 4257 DPE 36 DPPE C21 CL 0.630000 12.0110 0 4258 DPE 36 DPPE O22 OBL -0.520000 15.9994 0 4259 DPE 36 DPPE C22 CTL2 -0.080000 12.0110 0 4260 DPE 36 DPPE H2R HAL2 0.090000 1.0080 0 4261 DPE 36 DPPE H2S HAL2 0.090000 1.0080 0 4262 DPE 36 DPPE C3 CTL2 -0.050000 12.0110 0 4263 DPE 36 DPPE HX HAL2 0.090000 1.0080 0 4264 DPE 36 DPPE HY HAL2 0.090000 1.0080 0 4265 DPE 36 DPPE O31 OSL -0.340000 15.9994 0 4266 DPE 36 DPPE C31 CL 0.630000 12.0110 0 4267 DPE 36 DPPE O32 OBL -0.520000 15.9994 0 4268 DPE 36 DPPE C32 CTL2 -0.080000 12.0110 0 4269 DPE 36 DPPE H2X HAL2 0.090000 1.0080 0 4270 DPE 36 DPPE H2Y HAL2 0.090000 1.0080 0 4271 DPE 36 DPPE C23 CTL2 -0.180000 12.0110 0 4272 DPE 36 DPPE H3R HAL2 0.090000 1.0080 0 4273 DPE 36 DPPE H3S HAL2 0.090000 1.0080 0 4274 DPE 36 DPPE C24 CTL2 -0.180000 12.0110 0 4275 DPE 36 DPPE H4R HAL2 0.090000 1.0080 0 4276 DPE 36 DPPE H4S HAL2 0.090000 1.0080 0 4277 DPE 36 DPPE C25 CTL2 -0.180000 12.0110 0 4278 DPE 36 DPPE H5R HAL2 0.090000 1.0080 0 4279 DPE 36 DPPE H5S HAL2 0.090000 1.0080 0 4280 DPE 36 DPPE C26 CTL2 -0.180000 12.0110 0 4281 DPE 36 DPPE H6R HAL2 0.090000 1.0080 0 4282 DPE 36 DPPE H6S HAL2 0.090000 1.0080 0 4283 DPE 36 DPPE C27 CTL2 -0.180000 12.0110 0 4284 DPE 36 DPPE H7R HAL2 0.090000 1.0080 0 4285 DPE 36 DPPE H7S HAL2 0.090000 1.0080 0 4286 DPE 36 DPPE C28 CTL2 -0.180000 12.0110 0 4287 DPE 36 DPPE H8R HAL2 0.090000 1.0080 0 4288 DPE 36 DPPE H8S HAL2 0.090000 1.0080 0 4289 DPE 36 DPPE C29 CTL2 -0.180000 12.0110 0 4290 DPE 36 DPPE H9R HAL2 0.090000 1.0080 0 4291 DPE 36 DPPE H9S HAL2 0.090000 1.0080 0 4292 DPE 36 DPPE C210 CTL2 -0.180000 12.0110 0 4293 DPE 36 DPPE H10R HAL2 0.090000 1.0080 0 4294 DPE 36 DPPE H10S HAL2 0.090000 1.0080 0 4295 DPE 36 DPPE C211 CTL2 -0.180000 12.0110 0 4296 DPE 36 DPPE H11R HAL2 0.090000 1.0080 0 4297 DPE 36 DPPE H11S HAL2 0.090000 1.0080 0 4298 DPE 36 DPPE C212 CTL2 -0.180000 12.0110 0 4299 DPE 36 DPPE H12R HAL2 0.090000 1.0080 0 4300 DPE 36 DPPE H12S HAL2 0.090000 1.0080 0 4301 DPE 36 DPPE C213 CTL2 -0.180000 12.0110 0 4302 DPE 36 DPPE H13R HAL2 0.090000 1.0080 0 4303 DPE 36 DPPE H13S HAL2 0.090000 1.0080 0 4304 DPE 36 DPPE C214 CTL2 -0.180000 12.0110 0 4305 DPE 36 DPPE H14R HAL2 0.090000 1.0080 0 4306 DPE 36 DPPE H14S HAL2 0.090000 1.0080 0 4307 DPE 36 DPPE C215 CTL2 -0.180000 12.0110 0 4308 DPE 36 DPPE H15R HAL2 0.090000 1.0080 0 4309 DPE 36 DPPE H15S HAL2 0.090000 1.0080 0 4310 DPE 36 DPPE C216 CTL3 -0.270000 12.0110 0 4311 DPE 36 DPPE H16R HAL3 0.090000 1.0080 0 4312 DPE 36 DPPE H16S HAL3 0.090000 1.0080 0 4313 DPE 36 DPPE H16T HAL3 0.090000 1.0080 0 4314 DPE 36 DPPE C33 CTL2 -0.180000 12.0110 0 4315 DPE 36 DPPE H3X HAL2 0.090000 1.0080 0 4316 DPE 36 DPPE H3Y HAL2 0.090000 1.0080 0 4317 DPE 36 DPPE C34 CTL2 -0.180000 12.0110 0 4318 DPE 36 DPPE H4X HAL2 0.090000 1.0080 0 4319 DPE 36 DPPE H4Y HAL2 0.090000 1.0080 0 4320 DPE 36 DPPE C35 CTL2 -0.180000 12.0110 0 4321 DPE 36 DPPE H5X HAL2 0.090000 1.0080 0 4322 DPE 36 DPPE H5Y HAL2 0.090000 1.0080 0 4323 DPE 36 DPPE C36 CTL2 -0.180000 12.0110 0 4324 DPE 36 DPPE H6X HAL2 0.090000 1.0080 0 4325 DPE 36 DPPE H6Y HAL2 0.090000 1.0080 0 4326 DPE 36 DPPE C37 CTL2 -0.180000 12.0110 0 4327 DPE 36 DPPE H7X HAL2 0.090000 1.0080 0 4328 DPE 36 DPPE H7Y HAL2 0.090000 1.0080 0 4329 DPE 36 DPPE C38 CTL2 -0.180000 12.0110 0 4330 DPE 36 DPPE H8X HAL2 0.090000 1.0080 0 4331 DPE 36 DPPE H8Y HAL2 0.090000 1.0080 0 4332 DPE 36 DPPE C39 CTL2 -0.180000 12.0110 0 4333 DPE 36 DPPE H9X HAL2 0.090000 1.0080 0 4334 DPE 36 DPPE H9Y HAL2 0.090000 1.0080 0 4335 DPE 36 DPPE C310 CTL2 -0.180000 12.0110 0 4336 DPE 36 DPPE H10X HAL2 0.090000 1.0080 0 4337 DPE 36 DPPE H10Y HAL2 0.090000 1.0080 0 4338 DPE 36 DPPE C311 CTL2 -0.180000 12.0110 0 4339 DPE 36 DPPE H11X HAL2 0.090000 1.0080 0 4340 DPE 36 DPPE H11Y HAL2 0.090000 1.0080 0 4341 DPE 36 DPPE C312 CTL2 -0.180000 12.0110 0 4342 DPE 36 DPPE H12X HAL2 0.090000 1.0080 0 4343 DPE 36 DPPE H12Y HAL2 0.090000 1.0080 0 4344 DPE 36 DPPE C313 CTL2 -0.180000 12.0110 0 4345 DPE 36 DPPE H13X HAL2 0.090000 1.0080 0 4346 DPE 36 DPPE H13Y HAL2 0.090000 1.0080 0 4347 DPE 36 DPPE C314 CTL2 -0.180000 12.0110 0 4348 DPE 36 DPPE H14X HAL2 0.090000 1.0080 0 4349 DPE 36 DPPE H14Y HAL2 0.090000 1.0080 0 4350 DPE 36 DPPE C315 CTL2 -0.180000 12.0110 0 4351 DPE 36 DPPE H15X HAL2 0.090000 1.0080 0 4352 DPE 36 DPPE H15Y HAL2 0.090000 1.0080 0 4353 DPE 36 DPPE C316 CTL3 -0.270000 12.0110 0 4354 DPE 36 DPPE H16X HAL3 0.090000 1.0080 0 4355 DPE 36 DPPE H16Y HAL3 0.090000 1.0080 0 4356 DPE 36 DPPE H16Z HAL3 0.090000 1.0080 0 4357 DPE 37 DPPE N NH3L -0.300000 14.0070 0 4358 DPE 37 DPPE HN1 HCL 0.330000 1.0080 0 4359 DPE 37 DPPE HN2 HCL 0.330000 1.0080 0 4360 DPE 37 DPPE HN3 HCL 0.330000 1.0080 0 4361 DPE 37 DPPE C12 CTL2 0.130000 12.0110 0 4362 DPE 37 DPPE H12A HAL2 0.090000 1.0080 0 4363 DPE 37 DPPE H12B HAL2 0.090000 1.0080 0 4364 DPE 37 DPPE C11 CTL2 -0.080000 12.0110 0 4365 DPE 37 DPPE H11A HAL2 0.090000 1.0080 0 4366 DPE 37 DPPE H11B HAL2 0.090000 1.0080 0 4367 DPE 37 DPPE P PL 1.500000 30.9740 0 4368 DPE 37 DPPE O13 O2L -0.780000 15.9994 0 4369 DPE 37 DPPE O14 O2L -0.780000 15.9994 0 4370 DPE 37 DPPE O11 OSL -0.570000 15.9994 0 4371 DPE 37 DPPE O12 OSL -0.570000 15.9994 0 4372 DPE 37 DPPE C1 CTL2 -0.080000 12.0110 0 4373 DPE 37 DPPE HA HAL2 0.090000 1.0080 0 4374 DPE 37 DPPE HB HAL2 0.090000 1.0080 0 4375 DPE 37 DPPE C2 CTL1 0.040000 12.0110 0 4376 DPE 37 DPPE HS HAL1 0.090000 1.0080 0 4377 DPE 37 DPPE O21 OSL -0.340000 15.9994 0 4378 DPE 37 DPPE C21 CL 0.630000 12.0110 0 4379 DPE 37 DPPE O22 OBL -0.520000 15.9994 0 4380 DPE 37 DPPE C22 CTL2 -0.080000 12.0110 0 4381 DPE 37 DPPE H2R HAL2 0.090000 1.0080 0 4382 DPE 37 DPPE H2S HAL2 0.090000 1.0080 0 4383 DPE 37 DPPE C3 CTL2 -0.050000 12.0110 0 4384 DPE 37 DPPE HX HAL2 0.090000 1.0080 0 4385 DPE 37 DPPE HY HAL2 0.090000 1.0080 0 4386 DPE 37 DPPE O31 OSL -0.340000 15.9994 0 4387 DPE 37 DPPE C31 CL 0.630000 12.0110 0 4388 DPE 37 DPPE O32 OBL -0.520000 15.9994 0 4389 DPE 37 DPPE C32 CTL2 -0.080000 12.0110 0 4390 DPE 37 DPPE H2X HAL2 0.090000 1.0080 0 4391 DPE 37 DPPE H2Y HAL2 0.090000 1.0080 0 4392 DPE 37 DPPE C23 CTL2 -0.180000 12.0110 0 4393 DPE 37 DPPE H3R HAL2 0.090000 1.0080 0 4394 DPE 37 DPPE H3S HAL2 0.090000 1.0080 0 4395 DPE 37 DPPE C24 CTL2 -0.180000 12.0110 0 4396 DPE 37 DPPE H4R HAL2 0.090000 1.0080 0 4397 DPE 37 DPPE H4S HAL2 0.090000 1.0080 0 4398 DPE 37 DPPE C25 CTL2 -0.180000 12.0110 0 4399 DPE 37 DPPE H5R HAL2 0.090000 1.0080 0 4400 DPE 37 DPPE H5S HAL2 0.090000 1.0080 0 4401 DPE 37 DPPE C26 CTL2 -0.180000 12.0110 0 4402 DPE 37 DPPE H6R HAL2 0.090000 1.0080 0 4403 DPE 37 DPPE H6S HAL2 0.090000 1.0080 0 4404 DPE 37 DPPE C27 CTL2 -0.180000 12.0110 0 4405 DPE 37 DPPE H7R HAL2 0.090000 1.0080 0 4406 DPE 37 DPPE H7S HAL2 0.090000 1.0080 0 4407 DPE 37 DPPE C28 CTL2 -0.180000 12.0110 0 4408 DPE 37 DPPE H8R HAL2 0.090000 1.0080 0 4409 DPE 37 DPPE H8S HAL2 0.090000 1.0080 0 4410 DPE 37 DPPE C29 CTL2 -0.180000 12.0110 0 4411 DPE 37 DPPE H9R HAL2 0.090000 1.0080 0 4412 DPE 37 DPPE H9S HAL2 0.090000 1.0080 0 4413 DPE 37 DPPE C210 CTL2 -0.180000 12.0110 0 4414 DPE 37 DPPE H10R HAL2 0.090000 1.0080 0 4415 DPE 37 DPPE H10S HAL2 0.090000 1.0080 0 4416 DPE 37 DPPE C211 CTL2 -0.180000 12.0110 0 4417 DPE 37 DPPE H11R HAL2 0.090000 1.0080 0 4418 DPE 37 DPPE H11S HAL2 0.090000 1.0080 0 4419 DPE 37 DPPE C212 CTL2 -0.180000 12.0110 0 4420 DPE 37 DPPE H12R HAL2 0.090000 1.0080 0 4421 DPE 37 DPPE H12S HAL2 0.090000 1.0080 0 4422 DPE 37 DPPE C213 CTL2 -0.180000 12.0110 0 4423 DPE 37 DPPE H13R HAL2 0.090000 1.0080 0 4424 DPE 37 DPPE H13S HAL2 0.090000 1.0080 0 4425 DPE 37 DPPE C214 CTL2 -0.180000 12.0110 0 4426 DPE 37 DPPE H14R HAL2 0.090000 1.0080 0 4427 DPE 37 DPPE H14S HAL2 0.090000 1.0080 0 4428 DPE 37 DPPE C215 CTL2 -0.180000 12.0110 0 4429 DPE 37 DPPE H15R HAL2 0.090000 1.0080 0 4430 DPE 37 DPPE H15S HAL2 0.090000 1.0080 0 4431 DPE 37 DPPE C216 CTL3 -0.270000 12.0110 0 4432 DPE 37 DPPE H16R HAL3 0.090000 1.0080 0 4433 DPE 37 DPPE H16S HAL3 0.090000 1.0080 0 4434 DPE 37 DPPE H16T HAL3 0.090000 1.0080 0 4435 DPE 37 DPPE C33 CTL2 -0.180000 12.0110 0 4436 DPE 37 DPPE H3X HAL2 0.090000 1.0080 0 4437 DPE 37 DPPE H3Y HAL2 0.090000 1.0080 0 4438 DPE 37 DPPE C34 CTL2 -0.180000 12.0110 0 4439 DPE 37 DPPE H4X HAL2 0.090000 1.0080 0 4440 DPE 37 DPPE H4Y HAL2 0.090000 1.0080 0 4441 DPE 37 DPPE C35 CTL2 -0.180000 12.0110 0 4442 DPE 37 DPPE H5X HAL2 0.090000 1.0080 0 4443 DPE 37 DPPE H5Y HAL2 0.090000 1.0080 0 4444 DPE 37 DPPE C36 CTL2 -0.180000 12.0110 0 4445 DPE 37 DPPE H6X HAL2 0.090000 1.0080 0 4446 DPE 37 DPPE H6Y HAL2 0.090000 1.0080 0 4447 DPE 37 DPPE C37 CTL2 -0.180000 12.0110 0 4448 DPE 37 DPPE H7X HAL2 0.090000 1.0080 0 4449 DPE 37 DPPE H7Y HAL2 0.090000 1.0080 0 4450 DPE 37 DPPE C38 CTL2 -0.180000 12.0110 0 4451 DPE 37 DPPE H8X HAL2 0.090000 1.0080 0 4452 DPE 37 DPPE H8Y HAL2 0.090000 1.0080 0 4453 DPE 37 DPPE C39 CTL2 -0.180000 12.0110 0 4454 DPE 37 DPPE H9X HAL2 0.090000 1.0080 0 4455 DPE 37 DPPE H9Y HAL2 0.090000 1.0080 0 4456 DPE 37 DPPE C310 CTL2 -0.180000 12.0110 0 4457 DPE 37 DPPE H10X HAL2 0.090000 1.0080 0 4458 DPE 37 DPPE H10Y HAL2 0.090000 1.0080 0 4459 DPE 37 DPPE C311 CTL2 -0.180000 12.0110 0 4460 DPE 37 DPPE H11X HAL2 0.090000 1.0080 0 4461 DPE 37 DPPE H11Y HAL2 0.090000 1.0080 0 4462 DPE 37 DPPE C312 CTL2 -0.180000 12.0110 0 4463 DPE 37 DPPE H12X HAL2 0.090000 1.0080 0 4464 DPE 37 DPPE H12Y HAL2 0.090000 1.0080 0 4465 DPE 37 DPPE C313 CTL2 -0.180000 12.0110 0 4466 DPE 37 DPPE H13X HAL2 0.090000 1.0080 0 4467 DPE 37 DPPE H13Y HAL2 0.090000 1.0080 0 4468 DPE 37 DPPE C314 CTL2 -0.180000 12.0110 0 4469 DPE 37 DPPE H14X HAL2 0.090000 1.0080 0 4470 DPE 37 DPPE H14Y HAL2 0.090000 1.0080 0 4471 DPE 37 DPPE C315 CTL2 -0.180000 12.0110 0 4472 DPE 37 DPPE H15X HAL2 0.090000 1.0080 0 4473 DPE 37 DPPE H15Y HAL2 0.090000 1.0080 0 4474 DPE 37 DPPE C316 CTL3 -0.270000 12.0110 0 4475 DPE 37 DPPE H16X HAL3 0.090000 1.0080 0 4476 DPE 37 DPPE H16Y HAL3 0.090000 1.0080 0 4477 DPE 37 DPPE H16Z HAL3 0.090000 1.0080 0 4478 DPE 38 DPPE N NH3L -0.300000 14.0070 0 4479 DPE 38 DPPE HN1 HCL 0.330000 1.0080 0 4480 DPE 38 DPPE HN2 HCL 0.330000 1.0080 0 4481 DPE 38 DPPE HN3 HCL 0.330000 1.0080 0 4482 DPE 38 DPPE C12 CTL2 0.130000 12.0110 0 4483 DPE 38 DPPE H12A HAL2 0.090000 1.0080 0 4484 DPE 38 DPPE H12B HAL2 0.090000 1.0080 0 4485 DPE 38 DPPE C11 CTL2 -0.080000 12.0110 0 4486 DPE 38 DPPE H11A HAL2 0.090000 1.0080 0 4487 DPE 38 DPPE H11B HAL2 0.090000 1.0080 0 4488 DPE 38 DPPE P PL 1.500000 30.9740 0 4489 DPE 38 DPPE O13 O2L -0.780000 15.9994 0 4490 DPE 38 DPPE O14 O2L -0.780000 15.9994 0 4491 DPE 38 DPPE O11 OSL -0.570000 15.9994 0 4492 DPE 38 DPPE O12 OSL -0.570000 15.9994 0 4493 DPE 38 DPPE C1 CTL2 -0.080000 12.0110 0 4494 DPE 38 DPPE HA HAL2 0.090000 1.0080 0 4495 DPE 38 DPPE HB HAL2 0.090000 1.0080 0 4496 DPE 38 DPPE C2 CTL1 0.040000 12.0110 0 4497 DPE 38 DPPE HS HAL1 0.090000 1.0080 0 4498 DPE 38 DPPE O21 OSL -0.340000 15.9994 0 4499 DPE 38 DPPE C21 CL 0.630000 12.0110 0 4500 DPE 38 DPPE O22 OBL -0.520000 15.9994 0 4501 DPE 38 DPPE C22 CTL2 -0.080000 12.0110 0 4502 DPE 38 DPPE H2R HAL2 0.090000 1.0080 0 4503 DPE 38 DPPE H2S HAL2 0.090000 1.0080 0 4504 DPE 38 DPPE C3 CTL2 -0.050000 12.0110 0 4505 DPE 38 DPPE HX HAL2 0.090000 1.0080 0 4506 DPE 38 DPPE HY HAL2 0.090000 1.0080 0 4507 DPE 38 DPPE O31 OSL -0.340000 15.9994 0 4508 DPE 38 DPPE C31 CL 0.630000 12.0110 0 4509 DPE 38 DPPE O32 OBL -0.520000 15.9994 0 4510 DPE 38 DPPE C32 CTL2 -0.080000 12.0110 0 4511 DPE 38 DPPE H2X HAL2 0.090000 1.0080 0 4512 DPE 38 DPPE H2Y HAL2 0.090000 1.0080 0 4513 DPE 38 DPPE C23 CTL2 -0.180000 12.0110 0 4514 DPE 38 DPPE H3R HAL2 0.090000 1.0080 0 4515 DPE 38 DPPE H3S HAL2 0.090000 1.0080 0 4516 DPE 38 DPPE C24 CTL2 -0.180000 12.0110 0 4517 DPE 38 DPPE H4R HAL2 0.090000 1.0080 0 4518 DPE 38 DPPE H4S HAL2 0.090000 1.0080 0 4519 DPE 38 DPPE C25 CTL2 -0.180000 12.0110 0 4520 DPE 38 DPPE H5R HAL2 0.090000 1.0080 0 4521 DPE 38 DPPE H5S HAL2 0.090000 1.0080 0 4522 DPE 38 DPPE C26 CTL2 -0.180000 12.0110 0 4523 DPE 38 DPPE H6R HAL2 0.090000 1.0080 0 4524 DPE 38 DPPE H6S HAL2 0.090000 1.0080 0 4525 DPE 38 DPPE C27 CTL2 -0.180000 12.0110 0 4526 DPE 38 DPPE H7R HAL2 0.090000 1.0080 0 4527 DPE 38 DPPE H7S HAL2 0.090000 1.0080 0 4528 DPE 38 DPPE C28 CTL2 -0.180000 12.0110 0 4529 DPE 38 DPPE H8R HAL2 0.090000 1.0080 0 4530 DPE 38 DPPE H8S HAL2 0.090000 1.0080 0 4531 DPE 38 DPPE C29 CTL2 -0.180000 12.0110 0 4532 DPE 38 DPPE H9R HAL2 0.090000 1.0080 0 4533 DPE 38 DPPE H9S HAL2 0.090000 1.0080 0 4534 DPE 38 DPPE C210 CTL2 -0.180000 12.0110 0 4535 DPE 38 DPPE H10R HAL2 0.090000 1.0080 0 4536 DPE 38 DPPE H10S HAL2 0.090000 1.0080 0 4537 DPE 38 DPPE C211 CTL2 -0.180000 12.0110 0 4538 DPE 38 DPPE H11R HAL2 0.090000 1.0080 0 4539 DPE 38 DPPE H11S HAL2 0.090000 1.0080 0 4540 DPE 38 DPPE C212 CTL2 -0.180000 12.0110 0 4541 DPE 38 DPPE H12R HAL2 0.090000 1.0080 0 4542 DPE 38 DPPE H12S HAL2 0.090000 1.0080 0 4543 DPE 38 DPPE C213 CTL2 -0.180000 12.0110 0 4544 DPE 38 DPPE H13R HAL2 0.090000 1.0080 0 4545 DPE 38 DPPE H13S HAL2 0.090000 1.0080 0 4546 DPE 38 DPPE C214 CTL2 -0.180000 12.0110 0 4547 DPE 38 DPPE H14R HAL2 0.090000 1.0080 0 4548 DPE 38 DPPE H14S HAL2 0.090000 1.0080 0 4549 DPE 38 DPPE C215 CTL2 -0.180000 12.0110 0 4550 DPE 38 DPPE H15R HAL2 0.090000 1.0080 0 4551 DPE 38 DPPE H15S HAL2 0.090000 1.0080 0 4552 DPE 38 DPPE C216 CTL3 -0.270000 12.0110 0 4553 DPE 38 DPPE H16R HAL3 0.090000 1.0080 0 4554 DPE 38 DPPE H16S HAL3 0.090000 1.0080 0 4555 DPE 38 DPPE H16T HAL3 0.090000 1.0080 0 4556 DPE 38 DPPE C33 CTL2 -0.180000 12.0110 0 4557 DPE 38 DPPE H3X HAL2 0.090000 1.0080 0 4558 DPE 38 DPPE H3Y HAL2 0.090000 1.0080 0 4559 DPE 38 DPPE C34 CTL2 -0.180000 12.0110 0 4560 DPE 38 DPPE H4X HAL2 0.090000 1.0080 0 4561 DPE 38 DPPE H4Y HAL2 0.090000 1.0080 0 4562 DPE 38 DPPE C35 CTL2 -0.180000 12.0110 0 4563 DPE 38 DPPE H5X HAL2 0.090000 1.0080 0 4564 DPE 38 DPPE H5Y HAL2 0.090000 1.0080 0 4565 DPE 38 DPPE C36 CTL2 -0.180000 12.0110 0 4566 DPE 38 DPPE H6X HAL2 0.090000 1.0080 0 4567 DPE 38 DPPE H6Y HAL2 0.090000 1.0080 0 4568 DPE 38 DPPE C37 CTL2 -0.180000 12.0110 0 4569 DPE 38 DPPE H7X HAL2 0.090000 1.0080 0 4570 DPE 38 DPPE H7Y HAL2 0.090000 1.0080 0 4571 DPE 38 DPPE C38 CTL2 -0.180000 12.0110 0 4572 DPE 38 DPPE H8X HAL2 0.090000 1.0080 0 4573 DPE 38 DPPE H8Y HAL2 0.090000 1.0080 0 4574 DPE 38 DPPE C39 CTL2 -0.180000 12.0110 0 4575 DPE 38 DPPE H9X HAL2 0.090000 1.0080 0 4576 DPE 38 DPPE H9Y HAL2 0.090000 1.0080 0 4577 DPE 38 DPPE C310 CTL2 -0.180000 12.0110 0 4578 DPE 38 DPPE H10X HAL2 0.090000 1.0080 0 4579 DPE 38 DPPE H10Y HAL2 0.090000 1.0080 0 4580 DPE 38 DPPE C311 CTL2 -0.180000 12.0110 0 4581 DPE 38 DPPE H11X HAL2 0.090000 1.0080 0 4582 DPE 38 DPPE H11Y HAL2 0.090000 1.0080 0 4583 DPE 38 DPPE C312 CTL2 -0.180000 12.0110 0 4584 DPE 38 DPPE H12X HAL2 0.090000 1.0080 0 4585 DPE 38 DPPE H12Y HAL2 0.090000 1.0080 0 4586 DPE 38 DPPE C313 CTL2 -0.180000 12.0110 0 4587 DPE 38 DPPE H13X HAL2 0.090000 1.0080 0 4588 DPE 38 DPPE H13Y HAL2 0.090000 1.0080 0 4589 DPE 38 DPPE C314 CTL2 -0.180000 12.0110 0 4590 DPE 38 DPPE H14X HAL2 0.090000 1.0080 0 4591 DPE 38 DPPE H14Y HAL2 0.090000 1.0080 0 4592 DPE 38 DPPE C315 CTL2 -0.180000 12.0110 0 4593 DPE 38 DPPE H15X HAL2 0.090000 1.0080 0 4594 DPE 38 DPPE H15Y HAL2 0.090000 1.0080 0 4595 DPE 38 DPPE C316 CTL3 -0.270000 12.0110 0 4596 DPE 38 DPPE H16X HAL3 0.090000 1.0080 0 4597 DPE 38 DPPE H16Y HAL3 0.090000 1.0080 0 4598 DPE 38 DPPE H16Z HAL3 0.090000 1.0080 0 4599 DPE 39 DPPE N NH3L -0.300000 14.0070 0 4600 DPE 39 DPPE HN1 HCL 0.330000 1.0080 0 4601 DPE 39 DPPE HN2 HCL 0.330000 1.0080 0 4602 DPE 39 DPPE HN3 HCL 0.330000 1.0080 0 4603 DPE 39 DPPE C12 CTL2 0.130000 12.0110 0 4604 DPE 39 DPPE H12A HAL2 0.090000 1.0080 0 4605 DPE 39 DPPE H12B HAL2 0.090000 1.0080 0 4606 DPE 39 DPPE C11 CTL2 -0.080000 12.0110 0 4607 DPE 39 DPPE H11A HAL2 0.090000 1.0080 0 4608 DPE 39 DPPE H11B HAL2 0.090000 1.0080 0 4609 DPE 39 DPPE P PL 1.500000 30.9740 0 4610 DPE 39 DPPE O13 O2L -0.780000 15.9994 0 4611 DPE 39 DPPE O14 O2L -0.780000 15.9994 0 4612 DPE 39 DPPE O11 OSL -0.570000 15.9994 0 4613 DPE 39 DPPE O12 OSL -0.570000 15.9994 0 4614 DPE 39 DPPE C1 CTL2 -0.080000 12.0110 0 4615 DPE 39 DPPE HA HAL2 0.090000 1.0080 0 4616 DPE 39 DPPE HB HAL2 0.090000 1.0080 0 4617 DPE 39 DPPE C2 CTL1 0.040000 12.0110 0 4618 DPE 39 DPPE HS HAL1 0.090000 1.0080 0 4619 DPE 39 DPPE O21 OSL -0.340000 15.9994 0 4620 DPE 39 DPPE C21 CL 0.630000 12.0110 0 4621 DPE 39 DPPE O22 OBL -0.520000 15.9994 0 4622 DPE 39 DPPE C22 CTL2 -0.080000 12.0110 0 4623 DPE 39 DPPE H2R HAL2 0.090000 1.0080 0 4624 DPE 39 DPPE H2S HAL2 0.090000 1.0080 0 4625 DPE 39 DPPE C3 CTL2 -0.050000 12.0110 0 4626 DPE 39 DPPE HX HAL2 0.090000 1.0080 0 4627 DPE 39 DPPE HY HAL2 0.090000 1.0080 0 4628 DPE 39 DPPE O31 OSL -0.340000 15.9994 0 4629 DPE 39 DPPE C31 CL 0.630000 12.0110 0 4630 DPE 39 DPPE O32 OBL -0.520000 15.9994 0 4631 DPE 39 DPPE C32 CTL2 -0.080000 12.0110 0 4632 DPE 39 DPPE H2X HAL2 0.090000 1.0080 0 4633 DPE 39 DPPE H2Y HAL2 0.090000 1.0080 0 4634 DPE 39 DPPE C23 CTL2 -0.180000 12.0110 0 4635 DPE 39 DPPE H3R HAL2 0.090000 1.0080 0 4636 DPE 39 DPPE H3S HAL2 0.090000 1.0080 0 4637 DPE 39 DPPE C24 CTL2 -0.180000 12.0110 0 4638 DPE 39 DPPE H4R HAL2 0.090000 1.0080 0 4639 DPE 39 DPPE H4S HAL2 0.090000 1.0080 0 4640 DPE 39 DPPE C25 CTL2 -0.180000 12.0110 0 4641 DPE 39 DPPE H5R HAL2 0.090000 1.0080 0 4642 DPE 39 DPPE H5S HAL2 0.090000 1.0080 0 4643 DPE 39 DPPE C26 CTL2 -0.180000 12.0110 0 4644 DPE 39 DPPE H6R HAL2 0.090000 1.0080 0 4645 DPE 39 DPPE H6S HAL2 0.090000 1.0080 0 4646 DPE 39 DPPE C27 CTL2 -0.180000 12.0110 0 4647 DPE 39 DPPE H7R HAL2 0.090000 1.0080 0 4648 DPE 39 DPPE H7S HAL2 0.090000 1.0080 0 4649 DPE 39 DPPE C28 CTL2 -0.180000 12.0110 0 4650 DPE 39 DPPE H8R HAL2 0.090000 1.0080 0 4651 DPE 39 DPPE H8S HAL2 0.090000 1.0080 0 4652 DPE 39 DPPE C29 CTL2 -0.180000 12.0110 0 4653 DPE 39 DPPE H9R HAL2 0.090000 1.0080 0 4654 DPE 39 DPPE H9S HAL2 0.090000 1.0080 0 4655 DPE 39 DPPE C210 CTL2 -0.180000 12.0110 0 4656 DPE 39 DPPE H10R HAL2 0.090000 1.0080 0 4657 DPE 39 DPPE H10S HAL2 0.090000 1.0080 0 4658 DPE 39 DPPE C211 CTL2 -0.180000 12.0110 0 4659 DPE 39 DPPE H11R HAL2 0.090000 1.0080 0 4660 DPE 39 DPPE H11S HAL2 0.090000 1.0080 0 4661 DPE 39 DPPE C212 CTL2 -0.180000 12.0110 0 4662 DPE 39 DPPE H12R HAL2 0.090000 1.0080 0 4663 DPE 39 DPPE H12S HAL2 0.090000 1.0080 0 4664 DPE 39 DPPE C213 CTL2 -0.180000 12.0110 0 4665 DPE 39 DPPE H13R HAL2 0.090000 1.0080 0 4666 DPE 39 DPPE H13S HAL2 0.090000 1.0080 0 4667 DPE 39 DPPE C214 CTL2 -0.180000 12.0110 0 4668 DPE 39 DPPE H14R HAL2 0.090000 1.0080 0 4669 DPE 39 DPPE H14S HAL2 0.090000 1.0080 0 4670 DPE 39 DPPE C215 CTL2 -0.180000 12.0110 0 4671 DPE 39 DPPE H15R HAL2 0.090000 1.0080 0 4672 DPE 39 DPPE H15S HAL2 0.090000 1.0080 0 4673 DPE 39 DPPE C216 CTL3 -0.270000 12.0110 0 4674 DPE 39 DPPE H16R HAL3 0.090000 1.0080 0 4675 DPE 39 DPPE H16S HAL3 0.090000 1.0080 0 4676 DPE 39 DPPE H16T HAL3 0.090000 1.0080 0 4677 DPE 39 DPPE C33 CTL2 -0.180000 12.0110 0 4678 DPE 39 DPPE H3X HAL2 0.090000 1.0080 0 4679 DPE 39 DPPE H3Y HAL2 0.090000 1.0080 0 4680 DPE 39 DPPE C34 CTL2 -0.180000 12.0110 0 4681 DPE 39 DPPE H4X HAL2 0.090000 1.0080 0 4682 DPE 39 DPPE H4Y HAL2 0.090000 1.0080 0 4683 DPE 39 DPPE C35 CTL2 -0.180000 12.0110 0 4684 DPE 39 DPPE H5X HAL2 0.090000 1.0080 0 4685 DPE 39 DPPE H5Y HAL2 0.090000 1.0080 0 4686 DPE 39 DPPE C36 CTL2 -0.180000 12.0110 0 4687 DPE 39 DPPE H6X HAL2 0.090000 1.0080 0 4688 DPE 39 DPPE H6Y HAL2 0.090000 1.0080 0 4689 DPE 39 DPPE C37 CTL2 -0.180000 12.0110 0 4690 DPE 39 DPPE H7X HAL2 0.090000 1.0080 0 4691 DPE 39 DPPE H7Y HAL2 0.090000 1.0080 0 4692 DPE 39 DPPE C38 CTL2 -0.180000 12.0110 0 4693 DPE 39 DPPE H8X HAL2 0.090000 1.0080 0 4694 DPE 39 DPPE H8Y HAL2 0.090000 1.0080 0 4695 DPE 39 DPPE C39 CTL2 -0.180000 12.0110 0 4696 DPE 39 DPPE H9X HAL2 0.090000 1.0080 0 4697 DPE 39 DPPE H9Y HAL2 0.090000 1.0080 0 4698 DPE 39 DPPE C310 CTL2 -0.180000 12.0110 0 4699 DPE 39 DPPE H10X HAL2 0.090000 1.0080 0 4700 DPE 39 DPPE H10Y HAL2 0.090000 1.0080 0 4701 DPE 39 DPPE C311 CTL2 -0.180000 12.0110 0 4702 DPE 39 DPPE H11X HAL2 0.090000 1.0080 0 4703 DPE 39 DPPE H11Y HAL2 0.090000 1.0080 0 4704 DPE 39 DPPE C312 CTL2 -0.180000 12.0110 0 4705 DPE 39 DPPE H12X HAL2 0.090000 1.0080 0 4706 DPE 39 DPPE H12Y HAL2 0.090000 1.0080 0 4707 DPE 39 DPPE C313 CTL2 -0.180000 12.0110 0 4708 DPE 39 DPPE H13X HAL2 0.090000 1.0080 0 4709 DPE 39 DPPE H13Y HAL2 0.090000 1.0080 0 4710 DPE 39 DPPE C314 CTL2 -0.180000 12.0110 0 4711 DPE 39 DPPE H14X HAL2 0.090000 1.0080 0 4712 DPE 39 DPPE H14Y HAL2 0.090000 1.0080 0 4713 DPE 39 DPPE C315 CTL2 -0.180000 12.0110 0 4714 DPE 39 DPPE H15X HAL2 0.090000 1.0080 0 4715 DPE 39 DPPE H15Y HAL2 0.090000 1.0080 0 4716 DPE 39 DPPE C316 CTL3 -0.270000 12.0110 0 4717 DPE 39 DPPE H16X HAL3 0.090000 1.0080 0 4718 DPE 39 DPPE H16Y HAL3 0.090000 1.0080 0 4719 DPE 39 DPPE H16Z HAL3 0.090000 1.0080 0 4720 DPE 40 DPPE N NH3L -0.300000 14.0070 0 4721 DPE 40 DPPE HN1 HCL 0.330000 1.0080 0 4722 DPE 40 DPPE HN2 HCL 0.330000 1.0080 0 4723 DPE 40 DPPE HN3 HCL 0.330000 1.0080 0 4724 DPE 40 DPPE C12 CTL2 0.130000 12.0110 0 4725 DPE 40 DPPE H12A HAL2 0.090000 1.0080 0 4726 DPE 40 DPPE H12B HAL2 0.090000 1.0080 0 4727 DPE 40 DPPE C11 CTL2 -0.080000 12.0110 0 4728 DPE 40 DPPE H11A HAL2 0.090000 1.0080 0 4729 DPE 40 DPPE H11B HAL2 0.090000 1.0080 0 4730 DPE 40 DPPE P PL 1.500000 30.9740 0 4731 DPE 40 DPPE O13 O2L -0.780000 15.9994 0 4732 DPE 40 DPPE O14 O2L -0.780000 15.9994 0 4733 DPE 40 DPPE O11 OSL -0.570000 15.9994 0 4734 DPE 40 DPPE O12 OSL -0.570000 15.9994 0 4735 DPE 40 DPPE C1 CTL2 -0.080000 12.0110 0 4736 DPE 40 DPPE HA HAL2 0.090000 1.0080 0 4737 DPE 40 DPPE HB HAL2 0.090000 1.0080 0 4738 DPE 40 DPPE C2 CTL1 0.040000 12.0110 0 4739 DPE 40 DPPE HS HAL1 0.090000 1.0080 0 4740 DPE 40 DPPE O21 OSL -0.340000 15.9994 0 4741 DPE 40 DPPE C21 CL 0.630000 12.0110 0 4742 DPE 40 DPPE O22 OBL -0.520000 15.9994 0 4743 DPE 40 DPPE C22 CTL2 -0.080000 12.0110 0 4744 DPE 40 DPPE H2R HAL2 0.090000 1.0080 0 4745 DPE 40 DPPE H2S HAL2 0.090000 1.0080 0 4746 DPE 40 DPPE C3 CTL2 -0.050000 12.0110 0 4747 DPE 40 DPPE HX HAL2 0.090000 1.0080 0 4748 DPE 40 DPPE HY HAL2 0.090000 1.0080 0 4749 DPE 40 DPPE O31 OSL -0.340000 15.9994 0 4750 DPE 40 DPPE C31 CL 0.630000 12.0110 0 4751 DPE 40 DPPE O32 OBL -0.520000 15.9994 0 4752 DPE 40 DPPE C32 CTL2 -0.080000 12.0110 0 4753 DPE 40 DPPE H2X HAL2 0.090000 1.0080 0 4754 DPE 40 DPPE H2Y HAL2 0.090000 1.0080 0 4755 DPE 40 DPPE C23 CTL2 -0.180000 12.0110 0 4756 DPE 40 DPPE H3R HAL2 0.090000 1.0080 0 4757 DPE 40 DPPE H3S HAL2 0.090000 1.0080 0 4758 DPE 40 DPPE C24 CTL2 -0.180000 12.0110 0 4759 DPE 40 DPPE H4R HAL2 0.090000 1.0080 0 4760 DPE 40 DPPE H4S HAL2 0.090000 1.0080 0 4761 DPE 40 DPPE C25 CTL2 -0.180000 12.0110 0 4762 DPE 40 DPPE H5R HAL2 0.090000 1.0080 0 4763 DPE 40 DPPE H5S HAL2 0.090000 1.0080 0 4764 DPE 40 DPPE C26 CTL2 -0.180000 12.0110 0 4765 DPE 40 DPPE H6R HAL2 0.090000 1.0080 0 4766 DPE 40 DPPE H6S HAL2 0.090000 1.0080 0 4767 DPE 40 DPPE C27 CTL2 -0.180000 12.0110 0 4768 DPE 40 DPPE H7R HAL2 0.090000 1.0080 0 4769 DPE 40 DPPE H7S HAL2 0.090000 1.0080 0 4770 DPE 40 DPPE C28 CTL2 -0.180000 12.0110 0 4771 DPE 40 DPPE H8R HAL2 0.090000 1.0080 0 4772 DPE 40 DPPE H8S HAL2 0.090000 1.0080 0 4773 DPE 40 DPPE C29 CTL2 -0.180000 12.0110 0 4774 DPE 40 DPPE H9R HAL2 0.090000 1.0080 0 4775 DPE 40 DPPE H9S HAL2 0.090000 1.0080 0 4776 DPE 40 DPPE C210 CTL2 -0.180000 12.0110 0 4777 DPE 40 DPPE H10R HAL2 0.090000 1.0080 0 4778 DPE 40 DPPE H10S HAL2 0.090000 1.0080 0 4779 DPE 40 DPPE C211 CTL2 -0.180000 12.0110 0 4780 DPE 40 DPPE H11R HAL2 0.090000 1.0080 0 4781 DPE 40 DPPE H11S HAL2 0.090000 1.0080 0 4782 DPE 40 DPPE C212 CTL2 -0.180000 12.0110 0 4783 DPE 40 DPPE H12R HAL2 0.090000 1.0080 0 4784 DPE 40 DPPE H12S HAL2 0.090000 1.0080 0 4785 DPE 40 DPPE C213 CTL2 -0.180000 12.0110 0 4786 DPE 40 DPPE H13R HAL2 0.090000 1.0080 0 4787 DPE 40 DPPE H13S HAL2 0.090000 1.0080 0 4788 DPE 40 DPPE C214 CTL2 -0.180000 12.0110 0 4789 DPE 40 DPPE H14R HAL2 0.090000 1.0080 0 4790 DPE 40 DPPE H14S HAL2 0.090000 1.0080 0 4791 DPE 40 DPPE C215 CTL2 -0.180000 12.0110 0 4792 DPE 40 DPPE H15R HAL2 0.090000 1.0080 0 4793 DPE 40 DPPE H15S HAL2 0.090000 1.0080 0 4794 DPE 40 DPPE C216 CTL3 -0.270000 12.0110 0 4795 DPE 40 DPPE H16R HAL3 0.090000 1.0080 0 4796 DPE 40 DPPE H16S HAL3 0.090000 1.0080 0 4797 DPE 40 DPPE H16T HAL3 0.090000 1.0080 0 4798 DPE 40 DPPE C33 CTL2 -0.180000 12.0110 0 4799 DPE 40 DPPE H3X HAL2 0.090000 1.0080 0 4800 DPE 40 DPPE H3Y HAL2 0.090000 1.0080 0 4801 DPE 40 DPPE C34 CTL2 -0.180000 12.0110 0 4802 DPE 40 DPPE H4X HAL2 0.090000 1.0080 0 4803 DPE 40 DPPE H4Y HAL2 0.090000 1.0080 0 4804 DPE 40 DPPE C35 CTL2 -0.180000 12.0110 0 4805 DPE 40 DPPE H5X HAL2 0.090000 1.0080 0 4806 DPE 40 DPPE H5Y HAL2 0.090000 1.0080 0 4807 DPE 40 DPPE C36 CTL2 -0.180000 12.0110 0 4808 DPE 40 DPPE H6X HAL2 0.090000 1.0080 0 4809 DPE 40 DPPE H6Y HAL2 0.090000 1.0080 0 4810 DPE 40 DPPE C37 CTL2 -0.180000 12.0110 0 4811 DPE 40 DPPE H7X HAL2 0.090000 1.0080 0 4812 DPE 40 DPPE H7Y HAL2 0.090000 1.0080 0 4813 DPE 40 DPPE C38 CTL2 -0.180000 12.0110 0 4814 DPE 40 DPPE H8X HAL2 0.090000 1.0080 0 4815 DPE 40 DPPE H8Y HAL2 0.090000 1.0080 0 4816 DPE 40 DPPE C39 CTL2 -0.180000 12.0110 0 4817 DPE 40 DPPE H9X HAL2 0.090000 1.0080 0 4818 DPE 40 DPPE H9Y HAL2 0.090000 1.0080 0 4819 DPE 40 DPPE C310 CTL2 -0.180000 12.0110 0 4820 DPE 40 DPPE H10X HAL2 0.090000 1.0080 0 4821 DPE 40 DPPE H10Y HAL2 0.090000 1.0080 0 4822 DPE 40 DPPE C311 CTL2 -0.180000 12.0110 0 4823 DPE 40 DPPE H11X HAL2 0.090000 1.0080 0 4824 DPE 40 DPPE H11Y HAL2 0.090000 1.0080 0 4825 DPE 40 DPPE C312 CTL2 -0.180000 12.0110 0 4826 DPE 40 DPPE H12X HAL2 0.090000 1.0080 0 4827 DPE 40 DPPE H12Y HAL2 0.090000 1.0080 0 4828 DPE 40 DPPE C313 CTL2 -0.180000 12.0110 0 4829 DPE 40 DPPE H13X HAL2 0.090000 1.0080 0 4830 DPE 40 DPPE H13Y HAL2 0.090000 1.0080 0 4831 DPE 40 DPPE C314 CTL2 -0.180000 12.0110 0 4832 DPE 40 DPPE H14X HAL2 0.090000 1.0080 0 4833 DPE 40 DPPE H14Y HAL2 0.090000 1.0080 0 4834 DPE 40 DPPE C315 CTL2 -0.180000 12.0110 0 4835 DPE 40 DPPE H15X HAL2 0.090000 1.0080 0 4836 DPE 40 DPPE H15Y HAL2 0.090000 1.0080 0 4837 DPE 40 DPPE C316 CTL3 -0.270000 12.0110 0 4838 DPE 40 DPPE H16X HAL3 0.090000 1.0080 0 4839 DPE 40 DPPE H16Y HAL3 0.090000 1.0080 0 4840 DPE 40 DPPE H16Z HAL3 0.090000 1.0080 0 4841 DPE 41 DPPE N NH3L -0.300000 14.0070 0 4842 DPE 41 DPPE HN1 HCL 0.330000 1.0080 0 4843 DPE 41 DPPE HN2 HCL 0.330000 1.0080 0 4844 DPE 41 DPPE HN3 HCL 0.330000 1.0080 0 4845 DPE 41 DPPE C12 CTL2 0.130000 12.0110 0 4846 DPE 41 DPPE H12A HAL2 0.090000 1.0080 0 4847 DPE 41 DPPE H12B HAL2 0.090000 1.0080 0 4848 DPE 41 DPPE C11 CTL2 -0.080000 12.0110 0 4849 DPE 41 DPPE H11A HAL2 0.090000 1.0080 0 4850 DPE 41 DPPE H11B HAL2 0.090000 1.0080 0 4851 DPE 41 DPPE P PL 1.500000 30.9740 0 4852 DPE 41 DPPE O13 O2L -0.780000 15.9994 0 4853 DPE 41 DPPE O14 O2L -0.780000 15.9994 0 4854 DPE 41 DPPE O11 OSL -0.570000 15.9994 0 4855 DPE 41 DPPE O12 OSL -0.570000 15.9994 0 4856 DPE 41 DPPE C1 CTL2 -0.080000 12.0110 0 4857 DPE 41 DPPE HA HAL2 0.090000 1.0080 0 4858 DPE 41 DPPE HB HAL2 0.090000 1.0080 0 4859 DPE 41 DPPE C2 CTL1 0.040000 12.0110 0 4860 DPE 41 DPPE HS HAL1 0.090000 1.0080 0 4861 DPE 41 DPPE O21 OSL -0.340000 15.9994 0 4862 DPE 41 DPPE C21 CL 0.630000 12.0110 0 4863 DPE 41 DPPE O22 OBL -0.520000 15.9994 0 4864 DPE 41 DPPE C22 CTL2 -0.080000 12.0110 0 4865 DPE 41 DPPE H2R HAL2 0.090000 1.0080 0 4866 DPE 41 DPPE H2S HAL2 0.090000 1.0080 0 4867 DPE 41 DPPE C3 CTL2 -0.050000 12.0110 0 4868 DPE 41 DPPE HX HAL2 0.090000 1.0080 0 4869 DPE 41 DPPE HY HAL2 0.090000 1.0080 0 4870 DPE 41 DPPE O31 OSL -0.340000 15.9994 0 4871 DPE 41 DPPE C31 CL 0.630000 12.0110 0 4872 DPE 41 DPPE O32 OBL -0.520000 15.9994 0 4873 DPE 41 DPPE C32 CTL2 -0.080000 12.0110 0 4874 DPE 41 DPPE H2X HAL2 0.090000 1.0080 0 4875 DPE 41 DPPE H2Y HAL2 0.090000 1.0080 0 4876 DPE 41 DPPE C23 CTL2 -0.180000 12.0110 0 4877 DPE 41 DPPE H3R HAL2 0.090000 1.0080 0 4878 DPE 41 DPPE H3S HAL2 0.090000 1.0080 0 4879 DPE 41 DPPE C24 CTL2 -0.180000 12.0110 0 4880 DPE 41 DPPE H4R HAL2 0.090000 1.0080 0 4881 DPE 41 DPPE H4S HAL2 0.090000 1.0080 0 4882 DPE 41 DPPE C25 CTL2 -0.180000 12.0110 0 4883 DPE 41 DPPE H5R HAL2 0.090000 1.0080 0 4884 DPE 41 DPPE H5S HAL2 0.090000 1.0080 0 4885 DPE 41 DPPE C26 CTL2 -0.180000 12.0110 0 4886 DPE 41 DPPE H6R HAL2 0.090000 1.0080 0 4887 DPE 41 DPPE H6S HAL2 0.090000 1.0080 0 4888 DPE 41 DPPE C27 CTL2 -0.180000 12.0110 0 4889 DPE 41 DPPE H7R HAL2 0.090000 1.0080 0 4890 DPE 41 DPPE H7S HAL2 0.090000 1.0080 0 4891 DPE 41 DPPE C28 CTL2 -0.180000 12.0110 0 4892 DPE 41 DPPE H8R HAL2 0.090000 1.0080 0 4893 DPE 41 DPPE H8S HAL2 0.090000 1.0080 0 4894 DPE 41 DPPE C29 CTL2 -0.180000 12.0110 0 4895 DPE 41 DPPE H9R HAL2 0.090000 1.0080 0 4896 DPE 41 DPPE H9S HAL2 0.090000 1.0080 0 4897 DPE 41 DPPE C210 CTL2 -0.180000 12.0110 0 4898 DPE 41 DPPE H10R HAL2 0.090000 1.0080 0 4899 DPE 41 DPPE H10S HAL2 0.090000 1.0080 0 4900 DPE 41 DPPE C211 CTL2 -0.180000 12.0110 0 4901 DPE 41 DPPE H11R HAL2 0.090000 1.0080 0 4902 DPE 41 DPPE H11S HAL2 0.090000 1.0080 0 4903 DPE 41 DPPE C212 CTL2 -0.180000 12.0110 0 4904 DPE 41 DPPE H12R HAL2 0.090000 1.0080 0 4905 DPE 41 DPPE H12S HAL2 0.090000 1.0080 0 4906 DPE 41 DPPE C213 CTL2 -0.180000 12.0110 0 4907 DPE 41 DPPE H13R HAL2 0.090000 1.0080 0 4908 DPE 41 DPPE H13S HAL2 0.090000 1.0080 0 4909 DPE 41 DPPE C214 CTL2 -0.180000 12.0110 0 4910 DPE 41 DPPE H14R HAL2 0.090000 1.0080 0 4911 DPE 41 DPPE H14S HAL2 0.090000 1.0080 0 4912 DPE 41 DPPE C215 CTL2 -0.180000 12.0110 0 4913 DPE 41 DPPE H15R HAL2 0.090000 1.0080 0 4914 DPE 41 DPPE H15S HAL2 0.090000 1.0080 0 4915 DPE 41 DPPE C216 CTL3 -0.270000 12.0110 0 4916 DPE 41 DPPE H16R HAL3 0.090000 1.0080 0 4917 DPE 41 DPPE H16S HAL3 0.090000 1.0080 0 4918 DPE 41 DPPE H16T HAL3 0.090000 1.0080 0 4919 DPE 41 DPPE C33 CTL2 -0.180000 12.0110 0 4920 DPE 41 DPPE H3X HAL2 0.090000 1.0080 0 4921 DPE 41 DPPE H3Y HAL2 0.090000 1.0080 0 4922 DPE 41 DPPE C34 CTL2 -0.180000 12.0110 0 4923 DPE 41 DPPE H4X HAL2 0.090000 1.0080 0 4924 DPE 41 DPPE H4Y HAL2 0.090000 1.0080 0 4925 DPE 41 DPPE C35 CTL2 -0.180000 12.0110 0 4926 DPE 41 DPPE H5X HAL2 0.090000 1.0080 0 4927 DPE 41 DPPE H5Y HAL2 0.090000 1.0080 0 4928 DPE 41 DPPE C36 CTL2 -0.180000 12.0110 0 4929 DPE 41 DPPE H6X HAL2 0.090000 1.0080 0 4930 DPE 41 DPPE H6Y HAL2 0.090000 1.0080 0 4931 DPE 41 DPPE C37 CTL2 -0.180000 12.0110 0 4932 DPE 41 DPPE H7X HAL2 0.090000 1.0080 0 4933 DPE 41 DPPE H7Y HAL2 0.090000 1.0080 0 4934 DPE 41 DPPE C38 CTL2 -0.180000 12.0110 0 4935 DPE 41 DPPE H8X HAL2 0.090000 1.0080 0 4936 DPE 41 DPPE H8Y HAL2 0.090000 1.0080 0 4937 DPE 41 DPPE C39 CTL2 -0.180000 12.0110 0 4938 DPE 41 DPPE H9X HAL2 0.090000 1.0080 0 4939 DPE 41 DPPE H9Y HAL2 0.090000 1.0080 0 4940 DPE 41 DPPE C310 CTL2 -0.180000 12.0110 0 4941 DPE 41 DPPE H10X HAL2 0.090000 1.0080 0 4942 DPE 41 DPPE H10Y HAL2 0.090000 1.0080 0 4943 DPE 41 DPPE C311 CTL2 -0.180000 12.0110 0 4944 DPE 41 DPPE H11X HAL2 0.090000 1.0080 0 4945 DPE 41 DPPE H11Y HAL2 0.090000 1.0080 0 4946 DPE 41 DPPE C312 CTL2 -0.180000 12.0110 0 4947 DPE 41 DPPE H12X HAL2 0.090000 1.0080 0 4948 DPE 41 DPPE H12Y HAL2 0.090000 1.0080 0 4949 DPE 41 DPPE C313 CTL2 -0.180000 12.0110 0 4950 DPE 41 DPPE H13X HAL2 0.090000 1.0080 0 4951 DPE 41 DPPE H13Y HAL2 0.090000 1.0080 0 4952 DPE 41 DPPE C314 CTL2 -0.180000 12.0110 0 4953 DPE 41 DPPE H14X HAL2 0.090000 1.0080 0 4954 DPE 41 DPPE H14Y HAL2 0.090000 1.0080 0 4955 DPE 41 DPPE C315 CTL2 -0.180000 12.0110 0 4956 DPE 41 DPPE H15X HAL2 0.090000 1.0080 0 4957 DPE 41 DPPE H15Y HAL2 0.090000 1.0080 0 4958 DPE 41 DPPE C316 CTL3 -0.270000 12.0110 0 4959 DPE 41 DPPE H16X HAL3 0.090000 1.0080 0 4960 DPE 41 DPPE H16Y HAL3 0.090000 1.0080 0 4961 DPE 41 DPPE H16Z HAL3 0.090000 1.0080 0 4962 DPE 42 DPPE N NH3L -0.300000 14.0070 0 4963 DPE 42 DPPE HN1 HCL 0.330000 1.0080 0 4964 DPE 42 DPPE HN2 HCL 0.330000 1.0080 0 4965 DPE 42 DPPE HN3 HCL 0.330000 1.0080 0 4966 DPE 42 DPPE C12 CTL2 0.130000 12.0110 0 4967 DPE 42 DPPE H12A HAL2 0.090000 1.0080 0 4968 DPE 42 DPPE H12B HAL2 0.090000 1.0080 0 4969 DPE 42 DPPE C11 CTL2 -0.080000 12.0110 0 4970 DPE 42 DPPE H11A HAL2 0.090000 1.0080 0 4971 DPE 42 DPPE H11B HAL2 0.090000 1.0080 0 4972 DPE 42 DPPE P PL 1.500000 30.9740 0 4973 DPE 42 DPPE O13 O2L -0.780000 15.9994 0 4974 DPE 42 DPPE O14 O2L -0.780000 15.9994 0 4975 DPE 42 DPPE O11 OSL -0.570000 15.9994 0 4976 DPE 42 DPPE O12 OSL -0.570000 15.9994 0 4977 DPE 42 DPPE C1 CTL2 -0.080000 12.0110 0 4978 DPE 42 DPPE HA HAL2 0.090000 1.0080 0 4979 DPE 42 DPPE HB HAL2 0.090000 1.0080 0 4980 DPE 42 DPPE C2 CTL1 0.040000 12.0110 0 4981 DPE 42 DPPE HS HAL1 0.090000 1.0080 0 4982 DPE 42 DPPE O21 OSL -0.340000 15.9994 0 4983 DPE 42 DPPE C21 CL 0.630000 12.0110 0 4984 DPE 42 DPPE O22 OBL -0.520000 15.9994 0 4985 DPE 42 DPPE C22 CTL2 -0.080000 12.0110 0 4986 DPE 42 DPPE H2R HAL2 0.090000 1.0080 0 4987 DPE 42 DPPE H2S HAL2 0.090000 1.0080 0 4988 DPE 42 DPPE C3 CTL2 -0.050000 12.0110 0 4989 DPE 42 DPPE HX HAL2 0.090000 1.0080 0 4990 DPE 42 DPPE HY HAL2 0.090000 1.0080 0 4991 DPE 42 DPPE O31 OSL -0.340000 15.9994 0 4992 DPE 42 DPPE C31 CL 0.630000 12.0110 0 4993 DPE 42 DPPE O32 OBL -0.520000 15.9994 0 4994 DPE 42 DPPE C32 CTL2 -0.080000 12.0110 0 4995 DPE 42 DPPE H2X HAL2 0.090000 1.0080 0 4996 DPE 42 DPPE H2Y HAL2 0.090000 1.0080 0 4997 DPE 42 DPPE C23 CTL2 -0.180000 12.0110 0 4998 DPE 42 DPPE H3R HAL2 0.090000 1.0080 0 4999 DPE 42 DPPE H3S HAL2 0.090000 1.0080 0 5000 DPE 42 DPPE C24 CTL2 -0.180000 12.0110 0 5001 DPE 42 DPPE H4R HAL2 0.090000 1.0080 0 5002 DPE 42 DPPE H4S HAL2 0.090000 1.0080 0 5003 DPE 42 DPPE C25 CTL2 -0.180000 12.0110 0 5004 DPE 42 DPPE H5R HAL2 0.090000 1.0080 0 5005 DPE 42 DPPE H5S HAL2 0.090000 1.0080 0 5006 DPE 42 DPPE C26 CTL2 -0.180000 12.0110 0 5007 DPE 42 DPPE H6R HAL2 0.090000 1.0080 0 5008 DPE 42 DPPE H6S HAL2 0.090000 1.0080 0 5009 DPE 42 DPPE C27 CTL2 -0.180000 12.0110 0 5010 DPE 42 DPPE H7R HAL2 0.090000 1.0080 0 5011 DPE 42 DPPE H7S HAL2 0.090000 1.0080 0 5012 DPE 42 DPPE C28 CTL2 -0.180000 12.0110 0 5013 DPE 42 DPPE H8R HAL2 0.090000 1.0080 0 5014 DPE 42 DPPE H8S HAL2 0.090000 1.0080 0 5015 DPE 42 DPPE C29 CTL2 -0.180000 12.0110 0 5016 DPE 42 DPPE H9R HAL2 0.090000 1.0080 0 5017 DPE 42 DPPE H9S HAL2 0.090000 1.0080 0 5018 DPE 42 DPPE C210 CTL2 -0.180000 12.0110 0 5019 DPE 42 DPPE H10R HAL2 0.090000 1.0080 0 5020 DPE 42 DPPE H10S HAL2 0.090000 1.0080 0 5021 DPE 42 DPPE C211 CTL2 -0.180000 12.0110 0 5022 DPE 42 DPPE H11R HAL2 0.090000 1.0080 0 5023 DPE 42 DPPE H11S HAL2 0.090000 1.0080 0 5024 DPE 42 DPPE C212 CTL2 -0.180000 12.0110 0 5025 DPE 42 DPPE H12R HAL2 0.090000 1.0080 0 5026 DPE 42 DPPE H12S HAL2 0.090000 1.0080 0 5027 DPE 42 DPPE C213 CTL2 -0.180000 12.0110 0 5028 DPE 42 DPPE H13R HAL2 0.090000 1.0080 0 5029 DPE 42 DPPE H13S HAL2 0.090000 1.0080 0 5030 DPE 42 DPPE C214 CTL2 -0.180000 12.0110 0 5031 DPE 42 DPPE H14R HAL2 0.090000 1.0080 0 5032 DPE 42 DPPE H14S HAL2 0.090000 1.0080 0 5033 DPE 42 DPPE C215 CTL2 -0.180000 12.0110 0 5034 DPE 42 DPPE H15R HAL2 0.090000 1.0080 0 5035 DPE 42 DPPE H15S HAL2 0.090000 1.0080 0 5036 DPE 42 DPPE C216 CTL3 -0.270000 12.0110 0 5037 DPE 42 DPPE H16R HAL3 0.090000 1.0080 0 5038 DPE 42 DPPE H16S HAL3 0.090000 1.0080 0 5039 DPE 42 DPPE H16T HAL3 0.090000 1.0080 0 5040 DPE 42 DPPE C33 CTL2 -0.180000 12.0110 0 5041 DPE 42 DPPE H3X HAL2 0.090000 1.0080 0 5042 DPE 42 DPPE H3Y HAL2 0.090000 1.0080 0 5043 DPE 42 DPPE C34 CTL2 -0.180000 12.0110 0 5044 DPE 42 DPPE H4X HAL2 0.090000 1.0080 0 5045 DPE 42 DPPE H4Y HAL2 0.090000 1.0080 0 5046 DPE 42 DPPE C35 CTL2 -0.180000 12.0110 0 5047 DPE 42 DPPE H5X HAL2 0.090000 1.0080 0 5048 DPE 42 DPPE H5Y HAL2 0.090000 1.0080 0 5049 DPE 42 DPPE C36 CTL2 -0.180000 12.0110 0 5050 DPE 42 DPPE H6X HAL2 0.090000 1.0080 0 5051 DPE 42 DPPE H6Y HAL2 0.090000 1.0080 0 5052 DPE 42 DPPE C37 CTL2 -0.180000 12.0110 0 5053 DPE 42 DPPE H7X HAL2 0.090000 1.0080 0 5054 DPE 42 DPPE H7Y HAL2 0.090000 1.0080 0 5055 DPE 42 DPPE C38 CTL2 -0.180000 12.0110 0 5056 DPE 42 DPPE H8X HAL2 0.090000 1.0080 0 5057 DPE 42 DPPE H8Y HAL2 0.090000 1.0080 0 5058 DPE 42 DPPE C39 CTL2 -0.180000 12.0110 0 5059 DPE 42 DPPE H9X HAL2 0.090000 1.0080 0 5060 DPE 42 DPPE H9Y HAL2 0.090000 1.0080 0 5061 DPE 42 DPPE C310 CTL2 -0.180000 12.0110 0 5062 DPE 42 DPPE H10X HAL2 0.090000 1.0080 0 5063 DPE 42 DPPE H10Y HAL2 0.090000 1.0080 0 5064 DPE 42 DPPE C311 CTL2 -0.180000 12.0110 0 5065 DPE 42 DPPE H11X HAL2 0.090000 1.0080 0 5066 DPE 42 DPPE H11Y HAL2 0.090000 1.0080 0 5067 DPE 42 DPPE C312 CTL2 -0.180000 12.0110 0 5068 DPE 42 DPPE H12X HAL2 0.090000 1.0080 0 5069 DPE 42 DPPE H12Y HAL2 0.090000 1.0080 0 5070 DPE 42 DPPE C313 CTL2 -0.180000 12.0110 0 5071 DPE 42 DPPE H13X HAL2 0.090000 1.0080 0 5072 DPE 42 DPPE H13Y HAL2 0.090000 1.0080 0 5073 DPE 42 DPPE C314 CTL2 -0.180000 12.0110 0 5074 DPE 42 DPPE H14X HAL2 0.090000 1.0080 0 5075 DPE 42 DPPE H14Y HAL2 0.090000 1.0080 0 5076 DPE 42 DPPE C315 CTL2 -0.180000 12.0110 0 5077 DPE 42 DPPE H15X HAL2 0.090000 1.0080 0 5078 DPE 42 DPPE H15Y HAL2 0.090000 1.0080 0 5079 DPE 42 DPPE C316 CTL3 -0.270000 12.0110 0 5080 DPE 42 DPPE H16X HAL3 0.090000 1.0080 0 5081 DPE 42 DPPE H16Y HAL3 0.090000 1.0080 0 5082 DPE 42 DPPE H16Z HAL3 0.090000 1.0080 0 5083 DPE 43 DPPE N NH3L -0.300000 14.0070 0 5084 DPE 43 DPPE HN1 HCL 0.330000 1.0080 0 5085 DPE 43 DPPE HN2 HCL 0.330000 1.0080 0 5086 DPE 43 DPPE HN3 HCL 0.330000 1.0080 0 5087 DPE 43 DPPE C12 CTL2 0.130000 12.0110 0 5088 DPE 43 DPPE H12A HAL2 0.090000 1.0080 0 5089 DPE 43 DPPE H12B HAL2 0.090000 1.0080 0 5090 DPE 43 DPPE C11 CTL2 -0.080000 12.0110 0 5091 DPE 43 DPPE H11A HAL2 0.090000 1.0080 0 5092 DPE 43 DPPE H11B HAL2 0.090000 1.0080 0 5093 DPE 43 DPPE P PL 1.500000 30.9740 0 5094 DPE 43 DPPE O13 O2L -0.780000 15.9994 0 5095 DPE 43 DPPE O14 O2L -0.780000 15.9994 0 5096 DPE 43 DPPE O11 OSL -0.570000 15.9994 0 5097 DPE 43 DPPE O12 OSL -0.570000 15.9994 0 5098 DPE 43 DPPE C1 CTL2 -0.080000 12.0110 0 5099 DPE 43 DPPE HA HAL2 0.090000 1.0080 0 5100 DPE 43 DPPE HB HAL2 0.090000 1.0080 0 5101 DPE 43 DPPE C2 CTL1 0.040000 12.0110 0 5102 DPE 43 DPPE HS HAL1 0.090000 1.0080 0 5103 DPE 43 DPPE O21 OSL -0.340000 15.9994 0 5104 DPE 43 DPPE C21 CL 0.630000 12.0110 0 5105 DPE 43 DPPE O22 OBL -0.520000 15.9994 0 5106 DPE 43 DPPE C22 CTL2 -0.080000 12.0110 0 5107 DPE 43 DPPE H2R HAL2 0.090000 1.0080 0 5108 DPE 43 DPPE H2S HAL2 0.090000 1.0080 0 5109 DPE 43 DPPE C3 CTL2 -0.050000 12.0110 0 5110 DPE 43 DPPE HX HAL2 0.090000 1.0080 0 5111 DPE 43 DPPE HY HAL2 0.090000 1.0080 0 5112 DPE 43 DPPE O31 OSL -0.340000 15.9994 0 5113 DPE 43 DPPE C31 CL 0.630000 12.0110 0 5114 DPE 43 DPPE O32 OBL -0.520000 15.9994 0 5115 DPE 43 DPPE C32 CTL2 -0.080000 12.0110 0 5116 DPE 43 DPPE H2X HAL2 0.090000 1.0080 0 5117 DPE 43 DPPE H2Y HAL2 0.090000 1.0080 0 5118 DPE 43 DPPE C23 CTL2 -0.180000 12.0110 0 5119 DPE 43 DPPE H3R HAL2 0.090000 1.0080 0 5120 DPE 43 DPPE H3S HAL2 0.090000 1.0080 0 5121 DPE 43 DPPE C24 CTL2 -0.180000 12.0110 0 5122 DPE 43 DPPE H4R HAL2 0.090000 1.0080 0 5123 DPE 43 DPPE H4S HAL2 0.090000 1.0080 0 5124 DPE 43 DPPE C25 CTL2 -0.180000 12.0110 0 5125 DPE 43 DPPE H5R HAL2 0.090000 1.0080 0 5126 DPE 43 DPPE H5S HAL2 0.090000 1.0080 0 5127 DPE 43 DPPE C26 CTL2 -0.180000 12.0110 0 5128 DPE 43 DPPE H6R HAL2 0.090000 1.0080 0 5129 DPE 43 DPPE H6S HAL2 0.090000 1.0080 0 5130 DPE 43 DPPE C27 CTL2 -0.180000 12.0110 0 5131 DPE 43 DPPE H7R HAL2 0.090000 1.0080 0 5132 DPE 43 DPPE H7S HAL2 0.090000 1.0080 0 5133 DPE 43 DPPE C28 CTL2 -0.180000 12.0110 0 5134 DPE 43 DPPE H8R HAL2 0.090000 1.0080 0 5135 DPE 43 DPPE H8S HAL2 0.090000 1.0080 0 5136 DPE 43 DPPE C29 CTL2 -0.180000 12.0110 0 5137 DPE 43 DPPE H9R HAL2 0.090000 1.0080 0 5138 DPE 43 DPPE H9S HAL2 0.090000 1.0080 0 5139 DPE 43 DPPE C210 CTL2 -0.180000 12.0110 0 5140 DPE 43 DPPE H10R HAL2 0.090000 1.0080 0 5141 DPE 43 DPPE H10S HAL2 0.090000 1.0080 0 5142 DPE 43 DPPE C211 CTL2 -0.180000 12.0110 0 5143 DPE 43 DPPE H11R HAL2 0.090000 1.0080 0 5144 DPE 43 DPPE H11S HAL2 0.090000 1.0080 0 5145 DPE 43 DPPE C212 CTL2 -0.180000 12.0110 0 5146 DPE 43 DPPE H12R HAL2 0.090000 1.0080 0 5147 DPE 43 DPPE H12S HAL2 0.090000 1.0080 0 5148 DPE 43 DPPE C213 CTL2 -0.180000 12.0110 0 5149 DPE 43 DPPE H13R HAL2 0.090000 1.0080 0 5150 DPE 43 DPPE H13S HAL2 0.090000 1.0080 0 5151 DPE 43 DPPE C214 CTL2 -0.180000 12.0110 0 5152 DPE 43 DPPE H14R HAL2 0.090000 1.0080 0 5153 DPE 43 DPPE H14S HAL2 0.090000 1.0080 0 5154 DPE 43 DPPE C215 CTL2 -0.180000 12.0110 0 5155 DPE 43 DPPE H15R HAL2 0.090000 1.0080 0 5156 DPE 43 DPPE H15S HAL2 0.090000 1.0080 0 5157 DPE 43 DPPE C216 CTL3 -0.270000 12.0110 0 5158 DPE 43 DPPE H16R HAL3 0.090000 1.0080 0 5159 DPE 43 DPPE H16S HAL3 0.090000 1.0080 0 5160 DPE 43 DPPE H16T HAL3 0.090000 1.0080 0 5161 DPE 43 DPPE C33 CTL2 -0.180000 12.0110 0 5162 DPE 43 DPPE H3X HAL2 0.090000 1.0080 0 5163 DPE 43 DPPE H3Y HAL2 0.090000 1.0080 0 5164 DPE 43 DPPE C34 CTL2 -0.180000 12.0110 0 5165 DPE 43 DPPE H4X HAL2 0.090000 1.0080 0 5166 DPE 43 DPPE H4Y HAL2 0.090000 1.0080 0 5167 DPE 43 DPPE C35 CTL2 -0.180000 12.0110 0 5168 DPE 43 DPPE H5X HAL2 0.090000 1.0080 0 5169 DPE 43 DPPE H5Y HAL2 0.090000 1.0080 0 5170 DPE 43 DPPE C36 CTL2 -0.180000 12.0110 0 5171 DPE 43 DPPE H6X HAL2 0.090000 1.0080 0 5172 DPE 43 DPPE H6Y HAL2 0.090000 1.0080 0 5173 DPE 43 DPPE C37 CTL2 -0.180000 12.0110 0 5174 DPE 43 DPPE H7X HAL2 0.090000 1.0080 0 5175 DPE 43 DPPE H7Y HAL2 0.090000 1.0080 0 5176 DPE 43 DPPE C38 CTL2 -0.180000 12.0110 0 5177 DPE 43 DPPE H8X HAL2 0.090000 1.0080 0 5178 DPE 43 DPPE H8Y HAL2 0.090000 1.0080 0 5179 DPE 43 DPPE C39 CTL2 -0.180000 12.0110 0 5180 DPE 43 DPPE H9X HAL2 0.090000 1.0080 0 5181 DPE 43 DPPE H9Y HAL2 0.090000 1.0080 0 5182 DPE 43 DPPE C310 CTL2 -0.180000 12.0110 0 5183 DPE 43 DPPE H10X HAL2 0.090000 1.0080 0 5184 DPE 43 DPPE H10Y HAL2 0.090000 1.0080 0 5185 DPE 43 DPPE C311 CTL2 -0.180000 12.0110 0 5186 DPE 43 DPPE H11X HAL2 0.090000 1.0080 0 5187 DPE 43 DPPE H11Y HAL2 0.090000 1.0080 0 5188 DPE 43 DPPE C312 CTL2 -0.180000 12.0110 0 5189 DPE 43 DPPE H12X HAL2 0.090000 1.0080 0 5190 DPE 43 DPPE H12Y HAL2 0.090000 1.0080 0 5191 DPE 43 DPPE C313 CTL2 -0.180000 12.0110 0 5192 DPE 43 DPPE H13X HAL2 0.090000 1.0080 0 5193 DPE 43 DPPE H13Y HAL2 0.090000 1.0080 0 5194 DPE 43 DPPE C314 CTL2 -0.180000 12.0110 0 5195 DPE 43 DPPE H14X HAL2 0.090000 1.0080 0 5196 DPE 43 DPPE H14Y HAL2 0.090000 1.0080 0 5197 DPE 43 DPPE C315 CTL2 -0.180000 12.0110 0 5198 DPE 43 DPPE H15X HAL2 0.090000 1.0080 0 5199 DPE 43 DPPE H15Y HAL2 0.090000 1.0080 0 5200 DPE 43 DPPE C316 CTL3 -0.270000 12.0110 0 5201 DPE 43 DPPE H16X HAL3 0.090000 1.0080 0 5202 DPE 43 DPPE H16Y HAL3 0.090000 1.0080 0 5203 DPE 43 DPPE H16Z HAL3 0.090000 1.0080 0 5204 DPE 44 DPPE N NH3L -0.300000 14.0070 0 5205 DPE 44 DPPE HN1 HCL 0.330000 1.0080 0 5206 DPE 44 DPPE HN2 HCL 0.330000 1.0080 0 5207 DPE 44 DPPE HN3 HCL 0.330000 1.0080 0 5208 DPE 44 DPPE C12 CTL2 0.130000 12.0110 0 5209 DPE 44 DPPE H12A HAL2 0.090000 1.0080 0 5210 DPE 44 DPPE H12B HAL2 0.090000 1.0080 0 5211 DPE 44 DPPE C11 CTL2 -0.080000 12.0110 0 5212 DPE 44 DPPE H11A HAL2 0.090000 1.0080 0 5213 DPE 44 DPPE H11B HAL2 0.090000 1.0080 0 5214 DPE 44 DPPE P PL 1.500000 30.9740 0 5215 DPE 44 DPPE O13 O2L -0.780000 15.9994 0 5216 DPE 44 DPPE O14 O2L -0.780000 15.9994 0 5217 DPE 44 DPPE O11 OSL -0.570000 15.9994 0 5218 DPE 44 DPPE O12 OSL -0.570000 15.9994 0 5219 DPE 44 DPPE C1 CTL2 -0.080000 12.0110 0 5220 DPE 44 DPPE HA HAL2 0.090000 1.0080 0 5221 DPE 44 DPPE HB HAL2 0.090000 1.0080 0 5222 DPE 44 DPPE C2 CTL1 0.040000 12.0110 0 5223 DPE 44 DPPE HS HAL1 0.090000 1.0080 0 5224 DPE 44 DPPE O21 OSL -0.340000 15.9994 0 5225 DPE 44 DPPE C21 CL 0.630000 12.0110 0 5226 DPE 44 DPPE O22 OBL -0.520000 15.9994 0 5227 DPE 44 DPPE C22 CTL2 -0.080000 12.0110 0 5228 DPE 44 DPPE H2R HAL2 0.090000 1.0080 0 5229 DPE 44 DPPE H2S HAL2 0.090000 1.0080 0 5230 DPE 44 DPPE C3 CTL2 -0.050000 12.0110 0 5231 DPE 44 DPPE HX HAL2 0.090000 1.0080 0 5232 DPE 44 DPPE HY HAL2 0.090000 1.0080 0 5233 DPE 44 DPPE O31 OSL -0.340000 15.9994 0 5234 DPE 44 DPPE C31 CL 0.630000 12.0110 0 5235 DPE 44 DPPE O32 OBL -0.520000 15.9994 0 5236 DPE 44 DPPE C32 CTL2 -0.080000 12.0110 0 5237 DPE 44 DPPE H2X HAL2 0.090000 1.0080 0 5238 DPE 44 DPPE H2Y HAL2 0.090000 1.0080 0 5239 DPE 44 DPPE C23 CTL2 -0.180000 12.0110 0 5240 DPE 44 DPPE H3R HAL2 0.090000 1.0080 0 5241 DPE 44 DPPE H3S HAL2 0.090000 1.0080 0 5242 DPE 44 DPPE C24 CTL2 -0.180000 12.0110 0 5243 DPE 44 DPPE H4R HAL2 0.090000 1.0080 0 5244 DPE 44 DPPE H4S HAL2 0.090000 1.0080 0 5245 DPE 44 DPPE C25 CTL2 -0.180000 12.0110 0 5246 DPE 44 DPPE H5R HAL2 0.090000 1.0080 0 5247 DPE 44 DPPE H5S HAL2 0.090000 1.0080 0 5248 DPE 44 DPPE C26 CTL2 -0.180000 12.0110 0 5249 DPE 44 DPPE H6R HAL2 0.090000 1.0080 0 5250 DPE 44 DPPE H6S HAL2 0.090000 1.0080 0 5251 DPE 44 DPPE C27 CTL2 -0.180000 12.0110 0 5252 DPE 44 DPPE H7R HAL2 0.090000 1.0080 0 5253 DPE 44 DPPE H7S HAL2 0.090000 1.0080 0 5254 DPE 44 DPPE C28 CTL2 -0.180000 12.0110 0 5255 DPE 44 DPPE H8R HAL2 0.090000 1.0080 0 5256 DPE 44 DPPE H8S HAL2 0.090000 1.0080 0 5257 DPE 44 DPPE C29 CTL2 -0.180000 12.0110 0 5258 DPE 44 DPPE H9R HAL2 0.090000 1.0080 0 5259 DPE 44 DPPE H9S HAL2 0.090000 1.0080 0 5260 DPE 44 DPPE C210 CTL2 -0.180000 12.0110 0 5261 DPE 44 DPPE H10R HAL2 0.090000 1.0080 0 5262 DPE 44 DPPE H10S HAL2 0.090000 1.0080 0 5263 DPE 44 DPPE C211 CTL2 -0.180000 12.0110 0 5264 DPE 44 DPPE H11R HAL2 0.090000 1.0080 0 5265 DPE 44 DPPE H11S HAL2 0.090000 1.0080 0 5266 DPE 44 DPPE C212 CTL2 -0.180000 12.0110 0 5267 DPE 44 DPPE H12R HAL2 0.090000 1.0080 0 5268 DPE 44 DPPE H12S HAL2 0.090000 1.0080 0 5269 DPE 44 DPPE C213 CTL2 -0.180000 12.0110 0 5270 DPE 44 DPPE H13R HAL2 0.090000 1.0080 0 5271 DPE 44 DPPE H13S HAL2 0.090000 1.0080 0 5272 DPE 44 DPPE C214 CTL2 -0.180000 12.0110 0 5273 DPE 44 DPPE H14R HAL2 0.090000 1.0080 0 5274 DPE 44 DPPE H14S HAL2 0.090000 1.0080 0 5275 DPE 44 DPPE C215 CTL2 -0.180000 12.0110 0 5276 DPE 44 DPPE H15R HAL2 0.090000 1.0080 0 5277 DPE 44 DPPE H15S HAL2 0.090000 1.0080 0 5278 DPE 44 DPPE C216 CTL3 -0.270000 12.0110 0 5279 DPE 44 DPPE H16R HAL3 0.090000 1.0080 0 5280 DPE 44 DPPE H16S HAL3 0.090000 1.0080 0 5281 DPE 44 DPPE H16T HAL3 0.090000 1.0080 0 5282 DPE 44 DPPE C33 CTL2 -0.180000 12.0110 0 5283 DPE 44 DPPE H3X HAL2 0.090000 1.0080 0 5284 DPE 44 DPPE H3Y HAL2 0.090000 1.0080 0 5285 DPE 44 DPPE C34 CTL2 -0.180000 12.0110 0 5286 DPE 44 DPPE H4X HAL2 0.090000 1.0080 0 5287 DPE 44 DPPE H4Y HAL2 0.090000 1.0080 0 5288 DPE 44 DPPE C35 CTL2 -0.180000 12.0110 0 5289 DPE 44 DPPE H5X HAL2 0.090000 1.0080 0 5290 DPE 44 DPPE H5Y HAL2 0.090000 1.0080 0 5291 DPE 44 DPPE C36 CTL2 -0.180000 12.0110 0 5292 DPE 44 DPPE H6X HAL2 0.090000 1.0080 0 5293 DPE 44 DPPE H6Y HAL2 0.090000 1.0080 0 5294 DPE 44 DPPE C37 CTL2 -0.180000 12.0110 0 5295 DPE 44 DPPE H7X HAL2 0.090000 1.0080 0 5296 DPE 44 DPPE H7Y HAL2 0.090000 1.0080 0 5297 DPE 44 DPPE C38 CTL2 -0.180000 12.0110 0 5298 DPE 44 DPPE H8X HAL2 0.090000 1.0080 0 5299 DPE 44 DPPE H8Y HAL2 0.090000 1.0080 0 5300 DPE 44 DPPE C39 CTL2 -0.180000 12.0110 0 5301 DPE 44 DPPE H9X HAL2 0.090000 1.0080 0 5302 DPE 44 DPPE H9Y HAL2 0.090000 1.0080 0 5303 DPE 44 DPPE C310 CTL2 -0.180000 12.0110 0 5304 DPE 44 DPPE H10X HAL2 0.090000 1.0080 0 5305 DPE 44 DPPE H10Y HAL2 0.090000 1.0080 0 5306 DPE 44 DPPE C311 CTL2 -0.180000 12.0110 0 5307 DPE 44 DPPE H11X HAL2 0.090000 1.0080 0 5308 DPE 44 DPPE H11Y HAL2 0.090000 1.0080 0 5309 DPE 44 DPPE C312 CTL2 -0.180000 12.0110 0 5310 DPE 44 DPPE H12X HAL2 0.090000 1.0080 0 5311 DPE 44 DPPE H12Y HAL2 0.090000 1.0080 0 5312 DPE 44 DPPE C313 CTL2 -0.180000 12.0110 0 5313 DPE 44 DPPE H13X HAL2 0.090000 1.0080 0 5314 DPE 44 DPPE H13Y HAL2 0.090000 1.0080 0 5315 DPE 44 DPPE C314 CTL2 -0.180000 12.0110 0 5316 DPE 44 DPPE H14X HAL2 0.090000 1.0080 0 5317 DPE 44 DPPE H14Y HAL2 0.090000 1.0080 0 5318 DPE 44 DPPE C315 CTL2 -0.180000 12.0110 0 5319 DPE 44 DPPE H15X HAL2 0.090000 1.0080 0 5320 DPE 44 DPPE H15Y HAL2 0.090000 1.0080 0 5321 DPE 44 DPPE C316 CTL3 -0.270000 12.0110 0 5322 DPE 44 DPPE H16X HAL3 0.090000 1.0080 0 5323 DPE 44 DPPE H16Y HAL3 0.090000 1.0080 0 5324 DPE 44 DPPE H16Z HAL3 0.090000 1.0080 0 5325 DPE 45 DPPE N NH3L -0.300000 14.0070 0 5326 DPE 45 DPPE HN1 HCL 0.330000 1.0080 0 5327 DPE 45 DPPE HN2 HCL 0.330000 1.0080 0 5328 DPE 45 DPPE HN3 HCL 0.330000 1.0080 0 5329 DPE 45 DPPE C12 CTL2 0.130000 12.0110 0 5330 DPE 45 DPPE H12A HAL2 0.090000 1.0080 0 5331 DPE 45 DPPE H12B HAL2 0.090000 1.0080 0 5332 DPE 45 DPPE C11 CTL2 -0.080000 12.0110 0 5333 DPE 45 DPPE H11A HAL2 0.090000 1.0080 0 5334 DPE 45 DPPE H11B HAL2 0.090000 1.0080 0 5335 DPE 45 DPPE P PL 1.500000 30.9740 0 5336 DPE 45 DPPE O13 O2L -0.780000 15.9994 0 5337 DPE 45 DPPE O14 O2L -0.780000 15.9994 0 5338 DPE 45 DPPE O11 OSL -0.570000 15.9994 0 5339 DPE 45 DPPE O12 OSL -0.570000 15.9994 0 5340 DPE 45 DPPE C1 CTL2 -0.080000 12.0110 0 5341 DPE 45 DPPE HA HAL2 0.090000 1.0080 0 5342 DPE 45 DPPE HB HAL2 0.090000 1.0080 0 5343 DPE 45 DPPE C2 CTL1 0.040000 12.0110 0 5344 DPE 45 DPPE HS HAL1 0.090000 1.0080 0 5345 DPE 45 DPPE O21 OSL -0.340000 15.9994 0 5346 DPE 45 DPPE C21 CL 0.630000 12.0110 0 5347 DPE 45 DPPE O22 OBL -0.520000 15.9994 0 5348 DPE 45 DPPE C22 CTL2 -0.080000 12.0110 0 5349 DPE 45 DPPE H2R HAL2 0.090000 1.0080 0 5350 DPE 45 DPPE H2S HAL2 0.090000 1.0080 0 5351 DPE 45 DPPE C3 CTL2 -0.050000 12.0110 0 5352 DPE 45 DPPE HX HAL2 0.090000 1.0080 0 5353 DPE 45 DPPE HY HAL2 0.090000 1.0080 0 5354 DPE 45 DPPE O31 OSL -0.340000 15.9994 0 5355 DPE 45 DPPE C31 CL 0.630000 12.0110 0 5356 DPE 45 DPPE O32 OBL -0.520000 15.9994 0 5357 DPE 45 DPPE C32 CTL2 -0.080000 12.0110 0 5358 DPE 45 DPPE H2X HAL2 0.090000 1.0080 0 5359 DPE 45 DPPE H2Y HAL2 0.090000 1.0080 0 5360 DPE 45 DPPE C23 CTL2 -0.180000 12.0110 0 5361 DPE 45 DPPE H3R HAL2 0.090000 1.0080 0 5362 DPE 45 DPPE H3S HAL2 0.090000 1.0080 0 5363 DPE 45 DPPE C24 CTL2 -0.180000 12.0110 0 5364 DPE 45 DPPE H4R HAL2 0.090000 1.0080 0 5365 DPE 45 DPPE H4S HAL2 0.090000 1.0080 0 5366 DPE 45 DPPE C25 CTL2 -0.180000 12.0110 0 5367 DPE 45 DPPE H5R HAL2 0.090000 1.0080 0 5368 DPE 45 DPPE H5S HAL2 0.090000 1.0080 0 5369 DPE 45 DPPE C26 CTL2 -0.180000 12.0110 0 5370 DPE 45 DPPE H6R HAL2 0.090000 1.0080 0 5371 DPE 45 DPPE H6S HAL2 0.090000 1.0080 0 5372 DPE 45 DPPE C27 CTL2 -0.180000 12.0110 0 5373 DPE 45 DPPE H7R HAL2 0.090000 1.0080 0 5374 DPE 45 DPPE H7S HAL2 0.090000 1.0080 0 5375 DPE 45 DPPE C28 CTL2 -0.180000 12.0110 0 5376 DPE 45 DPPE H8R HAL2 0.090000 1.0080 0 5377 DPE 45 DPPE H8S HAL2 0.090000 1.0080 0 5378 DPE 45 DPPE C29 CTL2 -0.180000 12.0110 0 5379 DPE 45 DPPE H9R HAL2 0.090000 1.0080 0 5380 DPE 45 DPPE H9S HAL2 0.090000 1.0080 0 5381 DPE 45 DPPE C210 CTL2 -0.180000 12.0110 0 5382 DPE 45 DPPE H10R HAL2 0.090000 1.0080 0 5383 DPE 45 DPPE H10S HAL2 0.090000 1.0080 0 5384 DPE 45 DPPE C211 CTL2 -0.180000 12.0110 0 5385 DPE 45 DPPE H11R HAL2 0.090000 1.0080 0 5386 DPE 45 DPPE H11S HAL2 0.090000 1.0080 0 5387 DPE 45 DPPE C212 CTL2 -0.180000 12.0110 0 5388 DPE 45 DPPE H12R HAL2 0.090000 1.0080 0 5389 DPE 45 DPPE H12S HAL2 0.090000 1.0080 0 5390 DPE 45 DPPE C213 CTL2 -0.180000 12.0110 0 5391 DPE 45 DPPE H13R HAL2 0.090000 1.0080 0 5392 DPE 45 DPPE H13S HAL2 0.090000 1.0080 0 5393 DPE 45 DPPE C214 CTL2 -0.180000 12.0110 0 5394 DPE 45 DPPE H14R HAL2 0.090000 1.0080 0 5395 DPE 45 DPPE H14S HAL2 0.090000 1.0080 0 5396 DPE 45 DPPE C215 CTL2 -0.180000 12.0110 0 5397 DPE 45 DPPE H15R HAL2 0.090000 1.0080 0 5398 DPE 45 DPPE H15S HAL2 0.090000 1.0080 0 5399 DPE 45 DPPE C216 CTL3 -0.270000 12.0110 0 5400 DPE 45 DPPE H16R HAL3 0.090000 1.0080 0 5401 DPE 45 DPPE H16S HAL3 0.090000 1.0080 0 5402 DPE 45 DPPE H16T HAL3 0.090000 1.0080 0 5403 DPE 45 DPPE C33 CTL2 -0.180000 12.0110 0 5404 DPE 45 DPPE H3X HAL2 0.090000 1.0080 0 5405 DPE 45 DPPE H3Y HAL2 0.090000 1.0080 0 5406 DPE 45 DPPE C34 CTL2 -0.180000 12.0110 0 5407 DPE 45 DPPE H4X HAL2 0.090000 1.0080 0 5408 DPE 45 DPPE H4Y HAL2 0.090000 1.0080 0 5409 DPE 45 DPPE C35 CTL2 -0.180000 12.0110 0 5410 DPE 45 DPPE H5X HAL2 0.090000 1.0080 0 5411 DPE 45 DPPE H5Y HAL2 0.090000 1.0080 0 5412 DPE 45 DPPE C36 CTL2 -0.180000 12.0110 0 5413 DPE 45 DPPE H6X HAL2 0.090000 1.0080 0 5414 DPE 45 DPPE H6Y HAL2 0.090000 1.0080 0 5415 DPE 45 DPPE C37 CTL2 -0.180000 12.0110 0 5416 DPE 45 DPPE H7X HAL2 0.090000 1.0080 0 5417 DPE 45 DPPE H7Y HAL2 0.090000 1.0080 0 5418 DPE 45 DPPE C38 CTL2 -0.180000 12.0110 0 5419 DPE 45 DPPE H8X HAL2 0.090000 1.0080 0 5420 DPE 45 DPPE H8Y HAL2 0.090000 1.0080 0 5421 DPE 45 DPPE C39 CTL2 -0.180000 12.0110 0 5422 DPE 45 DPPE H9X HAL2 0.090000 1.0080 0 5423 DPE 45 DPPE H9Y HAL2 0.090000 1.0080 0 5424 DPE 45 DPPE C310 CTL2 -0.180000 12.0110 0 5425 DPE 45 DPPE H10X HAL2 0.090000 1.0080 0 5426 DPE 45 DPPE H10Y HAL2 0.090000 1.0080 0 5427 DPE 45 DPPE C311 CTL2 -0.180000 12.0110 0 5428 DPE 45 DPPE H11X HAL2 0.090000 1.0080 0 5429 DPE 45 DPPE H11Y HAL2 0.090000 1.0080 0 5430 DPE 45 DPPE C312 CTL2 -0.180000 12.0110 0 5431 DPE 45 DPPE H12X HAL2 0.090000 1.0080 0 5432 DPE 45 DPPE H12Y HAL2 0.090000 1.0080 0 5433 DPE 45 DPPE C313 CTL2 -0.180000 12.0110 0 5434 DPE 45 DPPE H13X HAL2 0.090000 1.0080 0 5435 DPE 45 DPPE H13Y HAL2 0.090000 1.0080 0 5436 DPE 45 DPPE C314 CTL2 -0.180000 12.0110 0 5437 DPE 45 DPPE H14X HAL2 0.090000 1.0080 0 5438 DPE 45 DPPE H14Y HAL2 0.090000 1.0080 0 5439 DPE 45 DPPE C315 CTL2 -0.180000 12.0110 0 5440 DPE 45 DPPE H15X HAL2 0.090000 1.0080 0 5441 DPE 45 DPPE H15Y HAL2 0.090000 1.0080 0 5442 DPE 45 DPPE C316 CTL3 -0.270000 12.0110 0 5443 DPE 45 DPPE H16X HAL3 0.090000 1.0080 0 5444 DPE 45 DPPE H16Y HAL3 0.090000 1.0080 0 5445 DPE 45 DPPE H16Z HAL3 0.090000 1.0080 0 5446 DPE 46 DPPE N NH3L -0.300000 14.0070 0 5447 DPE 46 DPPE HN1 HCL 0.330000 1.0080 0 5448 DPE 46 DPPE HN2 HCL 0.330000 1.0080 0 5449 DPE 46 DPPE HN3 HCL 0.330000 1.0080 0 5450 DPE 46 DPPE C12 CTL2 0.130000 12.0110 0 5451 DPE 46 DPPE H12A HAL2 0.090000 1.0080 0 5452 DPE 46 DPPE H12B HAL2 0.090000 1.0080 0 5453 DPE 46 DPPE C11 CTL2 -0.080000 12.0110 0 5454 DPE 46 DPPE H11A HAL2 0.090000 1.0080 0 5455 DPE 46 DPPE H11B HAL2 0.090000 1.0080 0 5456 DPE 46 DPPE P PL 1.500000 30.9740 0 5457 DPE 46 DPPE O13 O2L -0.780000 15.9994 0 5458 DPE 46 DPPE O14 O2L -0.780000 15.9994 0 5459 DPE 46 DPPE O11 OSL -0.570000 15.9994 0 5460 DPE 46 DPPE O12 OSL -0.570000 15.9994 0 5461 DPE 46 DPPE C1 CTL2 -0.080000 12.0110 0 5462 DPE 46 DPPE HA HAL2 0.090000 1.0080 0 5463 DPE 46 DPPE HB HAL2 0.090000 1.0080 0 5464 DPE 46 DPPE C2 CTL1 0.040000 12.0110 0 5465 DPE 46 DPPE HS HAL1 0.090000 1.0080 0 5466 DPE 46 DPPE O21 OSL -0.340000 15.9994 0 5467 DPE 46 DPPE C21 CL 0.630000 12.0110 0 5468 DPE 46 DPPE O22 OBL -0.520000 15.9994 0 5469 DPE 46 DPPE C22 CTL2 -0.080000 12.0110 0 5470 DPE 46 DPPE H2R HAL2 0.090000 1.0080 0 5471 DPE 46 DPPE H2S HAL2 0.090000 1.0080 0 5472 DPE 46 DPPE C3 CTL2 -0.050000 12.0110 0 5473 DPE 46 DPPE HX HAL2 0.090000 1.0080 0 5474 DPE 46 DPPE HY HAL2 0.090000 1.0080 0 5475 DPE 46 DPPE O31 OSL -0.340000 15.9994 0 5476 DPE 46 DPPE C31 CL 0.630000 12.0110 0 5477 DPE 46 DPPE O32 OBL -0.520000 15.9994 0 5478 DPE 46 DPPE C32 CTL2 -0.080000 12.0110 0 5479 DPE 46 DPPE H2X HAL2 0.090000 1.0080 0 5480 DPE 46 DPPE H2Y HAL2 0.090000 1.0080 0 5481 DPE 46 DPPE C23 CTL2 -0.180000 12.0110 0 5482 DPE 46 DPPE H3R HAL2 0.090000 1.0080 0 5483 DPE 46 DPPE H3S HAL2 0.090000 1.0080 0 5484 DPE 46 DPPE C24 CTL2 -0.180000 12.0110 0 5485 DPE 46 DPPE H4R HAL2 0.090000 1.0080 0 5486 DPE 46 DPPE H4S HAL2 0.090000 1.0080 0 5487 DPE 46 DPPE C25 CTL2 -0.180000 12.0110 0 5488 DPE 46 DPPE H5R HAL2 0.090000 1.0080 0 5489 DPE 46 DPPE H5S HAL2 0.090000 1.0080 0 5490 DPE 46 DPPE C26 CTL2 -0.180000 12.0110 0 5491 DPE 46 DPPE H6R HAL2 0.090000 1.0080 0 5492 DPE 46 DPPE H6S HAL2 0.090000 1.0080 0 5493 DPE 46 DPPE C27 CTL2 -0.180000 12.0110 0 5494 DPE 46 DPPE H7R HAL2 0.090000 1.0080 0 5495 DPE 46 DPPE H7S HAL2 0.090000 1.0080 0 5496 DPE 46 DPPE C28 CTL2 -0.180000 12.0110 0 5497 DPE 46 DPPE H8R HAL2 0.090000 1.0080 0 5498 DPE 46 DPPE H8S HAL2 0.090000 1.0080 0 5499 DPE 46 DPPE C29 CTL2 -0.180000 12.0110 0 5500 DPE 46 DPPE H9R HAL2 0.090000 1.0080 0 5501 DPE 46 DPPE H9S HAL2 0.090000 1.0080 0 5502 DPE 46 DPPE C210 CTL2 -0.180000 12.0110 0 5503 DPE 46 DPPE H10R HAL2 0.090000 1.0080 0 5504 DPE 46 DPPE H10S HAL2 0.090000 1.0080 0 5505 DPE 46 DPPE C211 CTL2 -0.180000 12.0110 0 5506 DPE 46 DPPE H11R HAL2 0.090000 1.0080 0 5507 DPE 46 DPPE H11S HAL2 0.090000 1.0080 0 5508 DPE 46 DPPE C212 CTL2 -0.180000 12.0110 0 5509 DPE 46 DPPE H12R HAL2 0.090000 1.0080 0 5510 DPE 46 DPPE H12S HAL2 0.090000 1.0080 0 5511 DPE 46 DPPE C213 CTL2 -0.180000 12.0110 0 5512 DPE 46 DPPE H13R HAL2 0.090000 1.0080 0 5513 DPE 46 DPPE H13S HAL2 0.090000 1.0080 0 5514 DPE 46 DPPE C214 CTL2 -0.180000 12.0110 0 5515 DPE 46 DPPE H14R HAL2 0.090000 1.0080 0 5516 DPE 46 DPPE H14S HAL2 0.090000 1.0080 0 5517 DPE 46 DPPE C215 CTL2 -0.180000 12.0110 0 5518 DPE 46 DPPE H15R HAL2 0.090000 1.0080 0 5519 DPE 46 DPPE H15S HAL2 0.090000 1.0080 0 5520 DPE 46 DPPE C216 CTL3 -0.270000 12.0110 0 5521 DPE 46 DPPE H16R HAL3 0.090000 1.0080 0 5522 DPE 46 DPPE H16S HAL3 0.090000 1.0080 0 5523 DPE 46 DPPE H16T HAL3 0.090000 1.0080 0 5524 DPE 46 DPPE C33 CTL2 -0.180000 12.0110 0 5525 DPE 46 DPPE H3X HAL2 0.090000 1.0080 0 5526 DPE 46 DPPE H3Y HAL2 0.090000 1.0080 0 5527 DPE 46 DPPE C34 CTL2 -0.180000 12.0110 0 5528 DPE 46 DPPE H4X HAL2 0.090000 1.0080 0 5529 DPE 46 DPPE H4Y HAL2 0.090000 1.0080 0 5530 DPE 46 DPPE C35 CTL2 -0.180000 12.0110 0 5531 DPE 46 DPPE H5X HAL2 0.090000 1.0080 0 5532 DPE 46 DPPE H5Y HAL2 0.090000 1.0080 0 5533 DPE 46 DPPE C36 CTL2 -0.180000 12.0110 0 5534 DPE 46 DPPE H6X HAL2 0.090000 1.0080 0 5535 DPE 46 DPPE H6Y HAL2 0.090000 1.0080 0 5536 DPE 46 DPPE C37 CTL2 -0.180000 12.0110 0 5537 DPE 46 DPPE H7X HAL2 0.090000 1.0080 0 5538 DPE 46 DPPE H7Y HAL2 0.090000 1.0080 0 5539 DPE 46 DPPE C38 CTL2 -0.180000 12.0110 0 5540 DPE 46 DPPE H8X HAL2 0.090000 1.0080 0 5541 DPE 46 DPPE H8Y HAL2 0.090000 1.0080 0 5542 DPE 46 DPPE C39 CTL2 -0.180000 12.0110 0 5543 DPE 46 DPPE H9X HAL2 0.090000 1.0080 0 5544 DPE 46 DPPE H9Y HAL2 0.090000 1.0080 0 5545 DPE 46 DPPE C310 CTL2 -0.180000 12.0110 0 5546 DPE 46 DPPE H10X HAL2 0.090000 1.0080 0 5547 DPE 46 DPPE H10Y HAL2 0.090000 1.0080 0 5548 DPE 46 DPPE C311 CTL2 -0.180000 12.0110 0 5549 DPE 46 DPPE H11X HAL2 0.090000 1.0080 0 5550 DPE 46 DPPE H11Y HAL2 0.090000 1.0080 0 5551 DPE 46 DPPE C312 CTL2 -0.180000 12.0110 0 5552 DPE 46 DPPE H12X HAL2 0.090000 1.0080 0 5553 DPE 46 DPPE H12Y HAL2 0.090000 1.0080 0 5554 DPE 46 DPPE C313 CTL2 -0.180000 12.0110 0 5555 DPE 46 DPPE H13X HAL2 0.090000 1.0080 0 5556 DPE 46 DPPE H13Y HAL2 0.090000 1.0080 0 5557 DPE 46 DPPE C314 CTL2 -0.180000 12.0110 0 5558 DPE 46 DPPE H14X HAL2 0.090000 1.0080 0 5559 DPE 46 DPPE H14Y HAL2 0.090000 1.0080 0 5560 DPE 46 DPPE C315 CTL2 -0.180000 12.0110 0 5561 DPE 46 DPPE H15X HAL2 0.090000 1.0080 0 5562 DPE 46 DPPE H15Y HAL2 0.090000 1.0080 0 5563 DPE 46 DPPE C316 CTL3 -0.270000 12.0110 0 5564 DPE 46 DPPE H16X HAL3 0.090000 1.0080 0 5565 DPE 46 DPPE H16Y HAL3 0.090000 1.0080 0 5566 DPE 46 DPPE H16Z HAL3 0.090000 1.0080 0 5567 DPE 47 DPPE N NH3L -0.300000 14.0070 0 5568 DPE 47 DPPE HN1 HCL 0.330000 1.0080 0 5569 DPE 47 DPPE HN2 HCL 0.330000 1.0080 0 5570 DPE 47 DPPE HN3 HCL 0.330000 1.0080 0 5571 DPE 47 DPPE C12 CTL2 0.130000 12.0110 0 5572 DPE 47 DPPE H12A HAL2 0.090000 1.0080 0 5573 DPE 47 DPPE H12B HAL2 0.090000 1.0080 0 5574 DPE 47 DPPE C11 CTL2 -0.080000 12.0110 0 5575 DPE 47 DPPE H11A HAL2 0.090000 1.0080 0 5576 DPE 47 DPPE H11B HAL2 0.090000 1.0080 0 5577 DPE 47 DPPE P PL 1.500000 30.9740 0 5578 DPE 47 DPPE O13 O2L -0.780000 15.9994 0 5579 DPE 47 DPPE O14 O2L -0.780000 15.9994 0 5580 DPE 47 DPPE O11 OSL -0.570000 15.9994 0 5581 DPE 47 DPPE O12 OSL -0.570000 15.9994 0 5582 DPE 47 DPPE C1 CTL2 -0.080000 12.0110 0 5583 DPE 47 DPPE HA HAL2 0.090000 1.0080 0 5584 DPE 47 DPPE HB HAL2 0.090000 1.0080 0 5585 DPE 47 DPPE C2 CTL1 0.040000 12.0110 0 5586 DPE 47 DPPE HS HAL1 0.090000 1.0080 0 5587 DPE 47 DPPE O21 OSL -0.340000 15.9994 0 5588 DPE 47 DPPE C21 CL 0.630000 12.0110 0 5589 DPE 47 DPPE O22 OBL -0.520000 15.9994 0 5590 DPE 47 DPPE C22 CTL2 -0.080000 12.0110 0 5591 DPE 47 DPPE H2R HAL2 0.090000 1.0080 0 5592 DPE 47 DPPE H2S HAL2 0.090000 1.0080 0 5593 DPE 47 DPPE C3 CTL2 -0.050000 12.0110 0 5594 DPE 47 DPPE HX HAL2 0.090000 1.0080 0 5595 DPE 47 DPPE HY HAL2 0.090000 1.0080 0 5596 DPE 47 DPPE O31 OSL -0.340000 15.9994 0 5597 DPE 47 DPPE C31 CL 0.630000 12.0110 0 5598 DPE 47 DPPE O32 OBL -0.520000 15.9994 0 5599 DPE 47 DPPE C32 CTL2 -0.080000 12.0110 0 5600 DPE 47 DPPE H2X HAL2 0.090000 1.0080 0 5601 DPE 47 DPPE H2Y HAL2 0.090000 1.0080 0 5602 DPE 47 DPPE C23 CTL2 -0.180000 12.0110 0 5603 DPE 47 DPPE H3R HAL2 0.090000 1.0080 0 5604 DPE 47 DPPE H3S HAL2 0.090000 1.0080 0 5605 DPE 47 DPPE C24 CTL2 -0.180000 12.0110 0 5606 DPE 47 DPPE H4R HAL2 0.090000 1.0080 0 5607 DPE 47 DPPE H4S HAL2 0.090000 1.0080 0 5608 DPE 47 DPPE C25 CTL2 -0.180000 12.0110 0 5609 DPE 47 DPPE H5R HAL2 0.090000 1.0080 0 5610 DPE 47 DPPE H5S HAL2 0.090000 1.0080 0 5611 DPE 47 DPPE C26 CTL2 -0.180000 12.0110 0 5612 DPE 47 DPPE H6R HAL2 0.090000 1.0080 0 5613 DPE 47 DPPE H6S HAL2 0.090000 1.0080 0 5614 DPE 47 DPPE C27 CTL2 -0.180000 12.0110 0 5615 DPE 47 DPPE H7R HAL2 0.090000 1.0080 0 5616 DPE 47 DPPE H7S HAL2 0.090000 1.0080 0 5617 DPE 47 DPPE C28 CTL2 -0.180000 12.0110 0 5618 DPE 47 DPPE H8R HAL2 0.090000 1.0080 0 5619 DPE 47 DPPE H8S HAL2 0.090000 1.0080 0 5620 DPE 47 DPPE C29 CTL2 -0.180000 12.0110 0 5621 DPE 47 DPPE H9R HAL2 0.090000 1.0080 0 5622 DPE 47 DPPE H9S HAL2 0.090000 1.0080 0 5623 DPE 47 DPPE C210 CTL2 -0.180000 12.0110 0 5624 DPE 47 DPPE H10R HAL2 0.090000 1.0080 0 5625 DPE 47 DPPE H10S HAL2 0.090000 1.0080 0 5626 DPE 47 DPPE C211 CTL2 -0.180000 12.0110 0 5627 DPE 47 DPPE H11R HAL2 0.090000 1.0080 0 5628 DPE 47 DPPE H11S HAL2 0.090000 1.0080 0 5629 DPE 47 DPPE C212 CTL2 -0.180000 12.0110 0 5630 DPE 47 DPPE H12R HAL2 0.090000 1.0080 0 5631 DPE 47 DPPE H12S HAL2 0.090000 1.0080 0 5632 DPE 47 DPPE C213 CTL2 -0.180000 12.0110 0 5633 DPE 47 DPPE H13R HAL2 0.090000 1.0080 0 5634 DPE 47 DPPE H13S HAL2 0.090000 1.0080 0 5635 DPE 47 DPPE C214 CTL2 -0.180000 12.0110 0 5636 DPE 47 DPPE H14R HAL2 0.090000 1.0080 0 5637 DPE 47 DPPE H14S HAL2 0.090000 1.0080 0 5638 DPE 47 DPPE C215 CTL2 -0.180000 12.0110 0 5639 DPE 47 DPPE H15R HAL2 0.090000 1.0080 0 5640 DPE 47 DPPE H15S HAL2 0.090000 1.0080 0 5641 DPE 47 DPPE C216 CTL3 -0.270000 12.0110 0 5642 DPE 47 DPPE H16R HAL3 0.090000 1.0080 0 5643 DPE 47 DPPE H16S HAL3 0.090000 1.0080 0 5644 DPE 47 DPPE H16T HAL3 0.090000 1.0080 0 5645 DPE 47 DPPE C33 CTL2 -0.180000 12.0110 0 5646 DPE 47 DPPE H3X HAL2 0.090000 1.0080 0 5647 DPE 47 DPPE H3Y HAL2 0.090000 1.0080 0 5648 DPE 47 DPPE C34 CTL2 -0.180000 12.0110 0 5649 DPE 47 DPPE H4X HAL2 0.090000 1.0080 0 5650 DPE 47 DPPE H4Y HAL2 0.090000 1.0080 0 5651 DPE 47 DPPE C35 CTL2 -0.180000 12.0110 0 5652 DPE 47 DPPE H5X HAL2 0.090000 1.0080 0 5653 DPE 47 DPPE H5Y HAL2 0.090000 1.0080 0 5654 DPE 47 DPPE C36 CTL2 -0.180000 12.0110 0 5655 DPE 47 DPPE H6X HAL2 0.090000 1.0080 0 5656 DPE 47 DPPE H6Y HAL2 0.090000 1.0080 0 5657 DPE 47 DPPE C37 CTL2 -0.180000 12.0110 0 5658 DPE 47 DPPE H7X HAL2 0.090000 1.0080 0 5659 DPE 47 DPPE H7Y HAL2 0.090000 1.0080 0 5660 DPE 47 DPPE C38 CTL2 -0.180000 12.0110 0 5661 DPE 47 DPPE H8X HAL2 0.090000 1.0080 0 5662 DPE 47 DPPE H8Y HAL2 0.090000 1.0080 0 5663 DPE 47 DPPE C39 CTL2 -0.180000 12.0110 0 5664 DPE 47 DPPE H9X HAL2 0.090000 1.0080 0 5665 DPE 47 DPPE H9Y HAL2 0.090000 1.0080 0 5666 DPE 47 DPPE C310 CTL2 -0.180000 12.0110 0 5667 DPE 47 DPPE H10X HAL2 0.090000 1.0080 0 5668 DPE 47 DPPE H10Y HAL2 0.090000 1.0080 0 5669 DPE 47 DPPE C311 CTL2 -0.180000 12.0110 0 5670 DPE 47 DPPE H11X HAL2 0.090000 1.0080 0 5671 DPE 47 DPPE H11Y HAL2 0.090000 1.0080 0 5672 DPE 47 DPPE C312 CTL2 -0.180000 12.0110 0 5673 DPE 47 DPPE H12X HAL2 0.090000 1.0080 0 5674 DPE 47 DPPE H12Y HAL2 0.090000 1.0080 0 5675 DPE 47 DPPE C313 CTL2 -0.180000 12.0110 0 5676 DPE 47 DPPE H13X HAL2 0.090000 1.0080 0 5677 DPE 47 DPPE H13Y HAL2 0.090000 1.0080 0 5678 DPE 47 DPPE C314 CTL2 -0.180000 12.0110 0 5679 DPE 47 DPPE H14X HAL2 0.090000 1.0080 0 5680 DPE 47 DPPE H14Y HAL2 0.090000 1.0080 0 5681 DPE 47 DPPE C315 CTL2 -0.180000 12.0110 0 5682 DPE 47 DPPE H15X HAL2 0.090000 1.0080 0 5683 DPE 47 DPPE H15Y HAL2 0.090000 1.0080 0 5684 DPE 47 DPPE C316 CTL3 -0.270000 12.0110 0 5685 DPE 47 DPPE H16X HAL3 0.090000 1.0080 0 5686 DPE 47 DPPE H16Y HAL3 0.090000 1.0080 0 5687 DPE 47 DPPE H16Z HAL3 0.090000 1.0080 0 5688 DPE 48 DPPE N NH3L -0.300000 14.0070 0 5689 DPE 48 DPPE HN1 HCL 0.330000 1.0080 0 5690 DPE 48 DPPE HN2 HCL 0.330000 1.0080 0 5691 DPE 48 DPPE HN3 HCL 0.330000 1.0080 0 5692 DPE 48 DPPE C12 CTL2 0.130000 12.0110 0 5693 DPE 48 DPPE H12A HAL2 0.090000 1.0080 0 5694 DPE 48 DPPE H12B HAL2 0.090000 1.0080 0 5695 DPE 48 DPPE C11 CTL2 -0.080000 12.0110 0 5696 DPE 48 DPPE H11A HAL2 0.090000 1.0080 0 5697 DPE 48 DPPE H11B HAL2 0.090000 1.0080 0 5698 DPE 48 DPPE P PL 1.500000 30.9740 0 5699 DPE 48 DPPE O13 O2L -0.780000 15.9994 0 5700 DPE 48 DPPE O14 O2L -0.780000 15.9994 0 5701 DPE 48 DPPE O11 OSL -0.570000 15.9994 0 5702 DPE 48 DPPE O12 OSL -0.570000 15.9994 0 5703 DPE 48 DPPE C1 CTL2 -0.080000 12.0110 0 5704 DPE 48 DPPE HA HAL2 0.090000 1.0080 0 5705 DPE 48 DPPE HB HAL2 0.090000 1.0080 0 5706 DPE 48 DPPE C2 CTL1 0.040000 12.0110 0 5707 DPE 48 DPPE HS HAL1 0.090000 1.0080 0 5708 DPE 48 DPPE O21 OSL -0.340000 15.9994 0 5709 DPE 48 DPPE C21 CL 0.630000 12.0110 0 5710 DPE 48 DPPE O22 OBL -0.520000 15.9994 0 5711 DPE 48 DPPE C22 CTL2 -0.080000 12.0110 0 5712 DPE 48 DPPE H2R HAL2 0.090000 1.0080 0 5713 DPE 48 DPPE H2S HAL2 0.090000 1.0080 0 5714 DPE 48 DPPE C3 CTL2 -0.050000 12.0110 0 5715 DPE 48 DPPE HX HAL2 0.090000 1.0080 0 5716 DPE 48 DPPE HY HAL2 0.090000 1.0080 0 5717 DPE 48 DPPE O31 OSL -0.340000 15.9994 0 5718 DPE 48 DPPE C31 CL 0.630000 12.0110 0 5719 DPE 48 DPPE O32 OBL -0.520000 15.9994 0 5720 DPE 48 DPPE C32 CTL2 -0.080000 12.0110 0 5721 DPE 48 DPPE H2X HAL2 0.090000 1.0080 0 5722 DPE 48 DPPE H2Y HAL2 0.090000 1.0080 0 5723 DPE 48 DPPE C23 CTL2 -0.180000 12.0110 0 5724 DPE 48 DPPE H3R HAL2 0.090000 1.0080 0 5725 DPE 48 DPPE H3S HAL2 0.090000 1.0080 0 5726 DPE 48 DPPE C24 CTL2 -0.180000 12.0110 0 5727 DPE 48 DPPE H4R HAL2 0.090000 1.0080 0 5728 DPE 48 DPPE H4S HAL2 0.090000 1.0080 0 5729 DPE 48 DPPE C25 CTL2 -0.180000 12.0110 0 5730 DPE 48 DPPE H5R HAL2 0.090000 1.0080 0 5731 DPE 48 DPPE H5S HAL2 0.090000 1.0080 0 5732 DPE 48 DPPE C26 CTL2 -0.180000 12.0110 0 5733 DPE 48 DPPE H6R HAL2 0.090000 1.0080 0 5734 DPE 48 DPPE H6S HAL2 0.090000 1.0080 0 5735 DPE 48 DPPE C27 CTL2 -0.180000 12.0110 0 5736 DPE 48 DPPE H7R HAL2 0.090000 1.0080 0 5737 DPE 48 DPPE H7S HAL2 0.090000 1.0080 0 5738 DPE 48 DPPE C28 CTL2 -0.180000 12.0110 0 5739 DPE 48 DPPE H8R HAL2 0.090000 1.0080 0 5740 DPE 48 DPPE H8S HAL2 0.090000 1.0080 0 5741 DPE 48 DPPE C29 CTL2 -0.180000 12.0110 0 5742 DPE 48 DPPE H9R HAL2 0.090000 1.0080 0 5743 DPE 48 DPPE H9S HAL2 0.090000 1.0080 0 5744 DPE 48 DPPE C210 CTL2 -0.180000 12.0110 0 5745 DPE 48 DPPE H10R HAL2 0.090000 1.0080 0 5746 DPE 48 DPPE H10S HAL2 0.090000 1.0080 0 5747 DPE 48 DPPE C211 CTL2 -0.180000 12.0110 0 5748 DPE 48 DPPE H11R HAL2 0.090000 1.0080 0 5749 DPE 48 DPPE H11S HAL2 0.090000 1.0080 0 5750 DPE 48 DPPE C212 CTL2 -0.180000 12.0110 0 5751 DPE 48 DPPE H12R HAL2 0.090000 1.0080 0 5752 DPE 48 DPPE H12S HAL2 0.090000 1.0080 0 5753 DPE 48 DPPE C213 CTL2 -0.180000 12.0110 0 5754 DPE 48 DPPE H13R HAL2 0.090000 1.0080 0 5755 DPE 48 DPPE H13S HAL2 0.090000 1.0080 0 5756 DPE 48 DPPE C214 CTL2 -0.180000 12.0110 0 5757 DPE 48 DPPE H14R HAL2 0.090000 1.0080 0 5758 DPE 48 DPPE H14S HAL2 0.090000 1.0080 0 5759 DPE 48 DPPE C215 CTL2 -0.180000 12.0110 0 5760 DPE 48 DPPE H15R HAL2 0.090000 1.0080 0 5761 DPE 48 DPPE H15S HAL2 0.090000 1.0080 0 5762 DPE 48 DPPE C216 CTL3 -0.270000 12.0110 0 5763 DPE 48 DPPE H16R HAL3 0.090000 1.0080 0 5764 DPE 48 DPPE H16S HAL3 0.090000 1.0080 0 5765 DPE 48 DPPE H16T HAL3 0.090000 1.0080 0 5766 DPE 48 DPPE C33 CTL2 -0.180000 12.0110 0 5767 DPE 48 DPPE H3X HAL2 0.090000 1.0080 0 5768 DPE 48 DPPE H3Y HAL2 0.090000 1.0080 0 5769 DPE 48 DPPE C34 CTL2 -0.180000 12.0110 0 5770 DPE 48 DPPE H4X HAL2 0.090000 1.0080 0 5771 DPE 48 DPPE H4Y HAL2 0.090000 1.0080 0 5772 DPE 48 DPPE C35 CTL2 -0.180000 12.0110 0 5773 DPE 48 DPPE H5X HAL2 0.090000 1.0080 0 5774 DPE 48 DPPE H5Y HAL2 0.090000 1.0080 0 5775 DPE 48 DPPE C36 CTL2 -0.180000 12.0110 0 5776 DPE 48 DPPE H6X HAL2 0.090000 1.0080 0 5777 DPE 48 DPPE H6Y HAL2 0.090000 1.0080 0 5778 DPE 48 DPPE C37 CTL2 -0.180000 12.0110 0 5779 DPE 48 DPPE H7X HAL2 0.090000 1.0080 0 5780 DPE 48 DPPE H7Y HAL2 0.090000 1.0080 0 5781 DPE 48 DPPE C38 CTL2 -0.180000 12.0110 0 5782 DPE 48 DPPE H8X HAL2 0.090000 1.0080 0 5783 DPE 48 DPPE H8Y HAL2 0.090000 1.0080 0 5784 DPE 48 DPPE C39 CTL2 -0.180000 12.0110 0 5785 DPE 48 DPPE H9X HAL2 0.090000 1.0080 0 5786 DPE 48 DPPE H9Y HAL2 0.090000 1.0080 0 5787 DPE 48 DPPE C310 CTL2 -0.180000 12.0110 0 5788 DPE 48 DPPE H10X HAL2 0.090000 1.0080 0 5789 DPE 48 DPPE H10Y HAL2 0.090000 1.0080 0 5790 DPE 48 DPPE C311 CTL2 -0.180000 12.0110 0 5791 DPE 48 DPPE H11X HAL2 0.090000 1.0080 0 5792 DPE 48 DPPE H11Y HAL2 0.090000 1.0080 0 5793 DPE 48 DPPE C312 CTL2 -0.180000 12.0110 0 5794 DPE 48 DPPE H12X HAL2 0.090000 1.0080 0 5795 DPE 48 DPPE H12Y HAL2 0.090000 1.0080 0 5796 DPE 48 DPPE C313 CTL2 -0.180000 12.0110 0 5797 DPE 48 DPPE H13X HAL2 0.090000 1.0080 0 5798 DPE 48 DPPE H13Y HAL2 0.090000 1.0080 0 5799 DPE 48 DPPE C314 CTL2 -0.180000 12.0110 0 5800 DPE 48 DPPE H14X HAL2 0.090000 1.0080 0 5801 DPE 48 DPPE H14Y HAL2 0.090000 1.0080 0 5802 DPE 48 DPPE C315 CTL2 -0.180000 12.0110 0 5803 DPE 48 DPPE H15X HAL2 0.090000 1.0080 0 5804 DPE 48 DPPE H15Y HAL2 0.090000 1.0080 0 5805 DPE 48 DPPE C316 CTL3 -0.270000 12.0110 0 5806 DPE 48 DPPE H16X HAL3 0.090000 1.0080 0 5807 DPE 48 DPPE H16Y HAL3 0.090000 1.0080 0 5808 DPE 48 DPPE H16Z HAL3 0.090000 1.0080 0 5809 DPE 49 DPPE N NH3L -0.300000 14.0070 0 5810 DPE 49 DPPE HN1 HCL 0.330000 1.0080 0 5811 DPE 49 DPPE HN2 HCL 0.330000 1.0080 0 5812 DPE 49 DPPE HN3 HCL 0.330000 1.0080 0 5813 DPE 49 DPPE C12 CTL2 0.130000 12.0110 0 5814 DPE 49 DPPE H12A HAL2 0.090000 1.0080 0 5815 DPE 49 DPPE H12B HAL2 0.090000 1.0080 0 5816 DPE 49 DPPE C11 CTL2 -0.080000 12.0110 0 5817 DPE 49 DPPE H11A HAL2 0.090000 1.0080 0 5818 DPE 49 DPPE H11B HAL2 0.090000 1.0080 0 5819 DPE 49 DPPE P PL 1.500000 30.9740 0 5820 DPE 49 DPPE O13 O2L -0.780000 15.9994 0 5821 DPE 49 DPPE O14 O2L -0.780000 15.9994 0 5822 DPE 49 DPPE O11 OSL -0.570000 15.9994 0 5823 DPE 49 DPPE O12 OSL -0.570000 15.9994 0 5824 DPE 49 DPPE C1 CTL2 -0.080000 12.0110 0 5825 DPE 49 DPPE HA HAL2 0.090000 1.0080 0 5826 DPE 49 DPPE HB HAL2 0.090000 1.0080 0 5827 DPE 49 DPPE C2 CTL1 0.040000 12.0110 0 5828 DPE 49 DPPE HS HAL1 0.090000 1.0080 0 5829 DPE 49 DPPE O21 OSL -0.340000 15.9994 0 5830 DPE 49 DPPE C21 CL 0.630000 12.0110 0 5831 DPE 49 DPPE O22 OBL -0.520000 15.9994 0 5832 DPE 49 DPPE C22 CTL2 -0.080000 12.0110 0 5833 DPE 49 DPPE H2R HAL2 0.090000 1.0080 0 5834 DPE 49 DPPE H2S HAL2 0.090000 1.0080 0 5835 DPE 49 DPPE C3 CTL2 -0.050000 12.0110 0 5836 DPE 49 DPPE HX HAL2 0.090000 1.0080 0 5837 DPE 49 DPPE HY HAL2 0.090000 1.0080 0 5838 DPE 49 DPPE O31 OSL -0.340000 15.9994 0 5839 DPE 49 DPPE C31 CL 0.630000 12.0110 0 5840 DPE 49 DPPE O32 OBL -0.520000 15.9994 0 5841 DPE 49 DPPE C32 CTL2 -0.080000 12.0110 0 5842 DPE 49 DPPE H2X HAL2 0.090000 1.0080 0 5843 DPE 49 DPPE H2Y HAL2 0.090000 1.0080 0 5844 DPE 49 DPPE C23 CTL2 -0.180000 12.0110 0 5845 DPE 49 DPPE H3R HAL2 0.090000 1.0080 0 5846 DPE 49 DPPE H3S HAL2 0.090000 1.0080 0 5847 DPE 49 DPPE C24 CTL2 -0.180000 12.0110 0 5848 DPE 49 DPPE H4R HAL2 0.090000 1.0080 0 5849 DPE 49 DPPE H4S HAL2 0.090000 1.0080 0 5850 DPE 49 DPPE C25 CTL2 -0.180000 12.0110 0 5851 DPE 49 DPPE H5R HAL2 0.090000 1.0080 0 5852 DPE 49 DPPE H5S HAL2 0.090000 1.0080 0 5853 DPE 49 DPPE C26 CTL2 -0.180000 12.0110 0 5854 DPE 49 DPPE H6R HAL2 0.090000 1.0080 0 5855 DPE 49 DPPE H6S HAL2 0.090000 1.0080 0 5856 DPE 49 DPPE C27 CTL2 -0.180000 12.0110 0 5857 DPE 49 DPPE H7R HAL2 0.090000 1.0080 0 5858 DPE 49 DPPE H7S HAL2 0.090000 1.0080 0 5859 DPE 49 DPPE C28 CTL2 -0.180000 12.0110 0 5860 DPE 49 DPPE H8R HAL2 0.090000 1.0080 0 5861 DPE 49 DPPE H8S HAL2 0.090000 1.0080 0 5862 DPE 49 DPPE C29 CTL2 -0.180000 12.0110 0 5863 DPE 49 DPPE H9R HAL2 0.090000 1.0080 0 5864 DPE 49 DPPE H9S HAL2 0.090000 1.0080 0 5865 DPE 49 DPPE C210 CTL2 -0.180000 12.0110 0 5866 DPE 49 DPPE H10R HAL2 0.090000 1.0080 0 5867 DPE 49 DPPE H10S HAL2 0.090000 1.0080 0 5868 DPE 49 DPPE C211 CTL2 -0.180000 12.0110 0 5869 DPE 49 DPPE H11R HAL2 0.090000 1.0080 0 5870 DPE 49 DPPE H11S HAL2 0.090000 1.0080 0 5871 DPE 49 DPPE C212 CTL2 -0.180000 12.0110 0 5872 DPE 49 DPPE H12R HAL2 0.090000 1.0080 0 5873 DPE 49 DPPE H12S HAL2 0.090000 1.0080 0 5874 DPE 49 DPPE C213 CTL2 -0.180000 12.0110 0 5875 DPE 49 DPPE H13R HAL2 0.090000 1.0080 0 5876 DPE 49 DPPE H13S HAL2 0.090000 1.0080 0 5877 DPE 49 DPPE C214 CTL2 -0.180000 12.0110 0 5878 DPE 49 DPPE H14R HAL2 0.090000 1.0080 0 5879 DPE 49 DPPE H14S HAL2 0.090000 1.0080 0 5880 DPE 49 DPPE C215 CTL2 -0.180000 12.0110 0 5881 DPE 49 DPPE H15R HAL2 0.090000 1.0080 0 5882 DPE 49 DPPE H15S HAL2 0.090000 1.0080 0 5883 DPE 49 DPPE C216 CTL3 -0.270000 12.0110 0 5884 DPE 49 DPPE H16R HAL3 0.090000 1.0080 0 5885 DPE 49 DPPE H16S HAL3 0.090000 1.0080 0 5886 DPE 49 DPPE H16T HAL3 0.090000 1.0080 0 5887 DPE 49 DPPE C33 CTL2 -0.180000 12.0110 0 5888 DPE 49 DPPE H3X HAL2 0.090000 1.0080 0 5889 DPE 49 DPPE H3Y HAL2 0.090000 1.0080 0 5890 DPE 49 DPPE C34 CTL2 -0.180000 12.0110 0 5891 DPE 49 DPPE H4X HAL2 0.090000 1.0080 0 5892 DPE 49 DPPE H4Y HAL2 0.090000 1.0080 0 5893 DPE 49 DPPE C35 CTL2 -0.180000 12.0110 0 5894 DPE 49 DPPE H5X HAL2 0.090000 1.0080 0 5895 DPE 49 DPPE H5Y HAL2 0.090000 1.0080 0 5896 DPE 49 DPPE C36 CTL2 -0.180000 12.0110 0 5897 DPE 49 DPPE H6X HAL2 0.090000 1.0080 0 5898 DPE 49 DPPE H6Y HAL2 0.090000 1.0080 0 5899 DPE 49 DPPE C37 CTL2 -0.180000 12.0110 0 5900 DPE 49 DPPE H7X HAL2 0.090000 1.0080 0 5901 DPE 49 DPPE H7Y HAL2 0.090000 1.0080 0 5902 DPE 49 DPPE C38 CTL2 -0.180000 12.0110 0 5903 DPE 49 DPPE H8X HAL2 0.090000 1.0080 0 5904 DPE 49 DPPE H8Y HAL2 0.090000 1.0080 0 5905 DPE 49 DPPE C39 CTL2 -0.180000 12.0110 0 5906 DPE 49 DPPE H9X HAL2 0.090000 1.0080 0 5907 DPE 49 DPPE H9Y HAL2 0.090000 1.0080 0 5908 DPE 49 DPPE C310 CTL2 -0.180000 12.0110 0 5909 DPE 49 DPPE H10X HAL2 0.090000 1.0080 0 5910 DPE 49 DPPE H10Y HAL2 0.090000 1.0080 0 5911 DPE 49 DPPE C311 CTL2 -0.180000 12.0110 0 5912 DPE 49 DPPE H11X HAL2 0.090000 1.0080 0 5913 DPE 49 DPPE H11Y HAL2 0.090000 1.0080 0 5914 DPE 49 DPPE C312 CTL2 -0.180000 12.0110 0 5915 DPE 49 DPPE H12X HAL2 0.090000 1.0080 0 5916 DPE 49 DPPE H12Y HAL2 0.090000 1.0080 0 5917 DPE 49 DPPE C313 CTL2 -0.180000 12.0110 0 5918 DPE 49 DPPE H13X HAL2 0.090000 1.0080 0 5919 DPE 49 DPPE H13Y HAL2 0.090000 1.0080 0 5920 DPE 49 DPPE C314 CTL2 -0.180000 12.0110 0 5921 DPE 49 DPPE H14X HAL2 0.090000 1.0080 0 5922 DPE 49 DPPE H14Y HAL2 0.090000 1.0080 0 5923 DPE 49 DPPE C315 CTL2 -0.180000 12.0110 0 5924 DPE 49 DPPE H15X HAL2 0.090000 1.0080 0 5925 DPE 49 DPPE H15Y HAL2 0.090000 1.0080 0 5926 DPE 49 DPPE C316 CTL3 -0.270000 12.0110 0 5927 DPE 49 DPPE H16X HAL3 0.090000 1.0080 0 5928 DPE 49 DPPE H16Y HAL3 0.090000 1.0080 0 5929 DPE 49 DPPE H16Z HAL3 0.090000 1.0080 0 5930 DPE 50 DPPE N NH3L -0.300000 14.0070 0 5931 DPE 50 DPPE HN1 HCL 0.330000 1.0080 0 5932 DPE 50 DPPE HN2 HCL 0.330000 1.0080 0 5933 DPE 50 DPPE HN3 HCL 0.330000 1.0080 0 5934 DPE 50 DPPE C12 CTL2 0.130000 12.0110 0 5935 DPE 50 DPPE H12A HAL2 0.090000 1.0080 0 5936 DPE 50 DPPE H12B HAL2 0.090000 1.0080 0 5937 DPE 50 DPPE C11 CTL2 -0.080000 12.0110 0 5938 DPE 50 DPPE H11A HAL2 0.090000 1.0080 0 5939 DPE 50 DPPE H11B HAL2 0.090000 1.0080 0 5940 DPE 50 DPPE P PL 1.500000 30.9740 0 5941 DPE 50 DPPE O13 O2L -0.780000 15.9994 0 5942 DPE 50 DPPE O14 O2L -0.780000 15.9994 0 5943 DPE 50 DPPE O11 OSL -0.570000 15.9994 0 5944 DPE 50 DPPE O12 OSL -0.570000 15.9994 0 5945 DPE 50 DPPE C1 CTL2 -0.080000 12.0110 0 5946 DPE 50 DPPE HA HAL2 0.090000 1.0080 0 5947 DPE 50 DPPE HB HAL2 0.090000 1.0080 0 5948 DPE 50 DPPE C2 CTL1 0.040000 12.0110 0 5949 DPE 50 DPPE HS HAL1 0.090000 1.0080 0 5950 DPE 50 DPPE O21 OSL -0.340000 15.9994 0 5951 DPE 50 DPPE C21 CL 0.630000 12.0110 0 5952 DPE 50 DPPE O22 OBL -0.520000 15.9994 0 5953 DPE 50 DPPE C22 CTL2 -0.080000 12.0110 0 5954 DPE 50 DPPE H2R HAL2 0.090000 1.0080 0 5955 DPE 50 DPPE H2S HAL2 0.090000 1.0080 0 5956 DPE 50 DPPE C3 CTL2 -0.050000 12.0110 0 5957 DPE 50 DPPE HX HAL2 0.090000 1.0080 0 5958 DPE 50 DPPE HY HAL2 0.090000 1.0080 0 5959 DPE 50 DPPE O31 OSL -0.340000 15.9994 0 5960 DPE 50 DPPE C31 CL 0.630000 12.0110 0 5961 DPE 50 DPPE O32 OBL -0.520000 15.9994 0 5962 DPE 50 DPPE C32 CTL2 -0.080000 12.0110 0 5963 DPE 50 DPPE H2X HAL2 0.090000 1.0080 0 5964 DPE 50 DPPE H2Y HAL2 0.090000 1.0080 0 5965 DPE 50 DPPE C23 CTL2 -0.180000 12.0110 0 5966 DPE 50 DPPE H3R HAL2 0.090000 1.0080 0 5967 DPE 50 DPPE H3S HAL2 0.090000 1.0080 0 5968 DPE 50 DPPE C24 CTL2 -0.180000 12.0110 0 5969 DPE 50 DPPE H4R HAL2 0.090000 1.0080 0 5970 DPE 50 DPPE H4S HAL2 0.090000 1.0080 0 5971 DPE 50 DPPE C25 CTL2 -0.180000 12.0110 0 5972 DPE 50 DPPE H5R HAL2 0.090000 1.0080 0 5973 DPE 50 DPPE H5S HAL2 0.090000 1.0080 0 5974 DPE 50 DPPE C26 CTL2 -0.180000 12.0110 0 5975 DPE 50 DPPE H6R HAL2 0.090000 1.0080 0 5976 DPE 50 DPPE H6S HAL2 0.090000 1.0080 0 5977 DPE 50 DPPE C27 CTL2 -0.180000 12.0110 0 5978 DPE 50 DPPE H7R HAL2 0.090000 1.0080 0 5979 DPE 50 DPPE H7S HAL2 0.090000 1.0080 0 5980 DPE 50 DPPE C28 CTL2 -0.180000 12.0110 0 5981 DPE 50 DPPE H8R HAL2 0.090000 1.0080 0 5982 DPE 50 DPPE H8S HAL2 0.090000 1.0080 0 5983 DPE 50 DPPE C29 CTL2 -0.180000 12.0110 0 5984 DPE 50 DPPE H9R HAL2 0.090000 1.0080 0 5985 DPE 50 DPPE H9S HAL2 0.090000 1.0080 0 5986 DPE 50 DPPE C210 CTL2 -0.180000 12.0110 0 5987 DPE 50 DPPE H10R HAL2 0.090000 1.0080 0 5988 DPE 50 DPPE H10S HAL2 0.090000 1.0080 0 5989 DPE 50 DPPE C211 CTL2 -0.180000 12.0110 0 5990 DPE 50 DPPE H11R HAL2 0.090000 1.0080 0 5991 DPE 50 DPPE H11S HAL2 0.090000 1.0080 0 5992 DPE 50 DPPE C212 CTL2 -0.180000 12.0110 0 5993 DPE 50 DPPE H12R HAL2 0.090000 1.0080 0 5994 DPE 50 DPPE H12S HAL2 0.090000 1.0080 0 5995 DPE 50 DPPE C213 CTL2 -0.180000 12.0110 0 5996 DPE 50 DPPE H13R HAL2 0.090000 1.0080 0 5997 DPE 50 DPPE H13S HAL2 0.090000 1.0080 0 5998 DPE 50 DPPE C214 CTL2 -0.180000 12.0110 0 5999 DPE 50 DPPE H14R HAL2 0.090000 1.0080 0 6000 DPE 50 DPPE H14S HAL2 0.090000 1.0080 0 6001 DPE 50 DPPE C215 CTL2 -0.180000 12.0110 0 6002 DPE 50 DPPE H15R HAL2 0.090000 1.0080 0 6003 DPE 50 DPPE H15S HAL2 0.090000 1.0080 0 6004 DPE 50 DPPE C216 CTL3 -0.270000 12.0110 0 6005 DPE 50 DPPE H16R HAL3 0.090000 1.0080 0 6006 DPE 50 DPPE H16S HAL3 0.090000 1.0080 0 6007 DPE 50 DPPE H16T HAL3 0.090000 1.0080 0 6008 DPE 50 DPPE C33 CTL2 -0.180000 12.0110 0 6009 DPE 50 DPPE H3X HAL2 0.090000 1.0080 0 6010 DPE 50 DPPE H3Y HAL2 0.090000 1.0080 0 6011 DPE 50 DPPE C34 CTL2 -0.180000 12.0110 0 6012 DPE 50 DPPE H4X HAL2 0.090000 1.0080 0 6013 DPE 50 DPPE H4Y HAL2 0.090000 1.0080 0 6014 DPE 50 DPPE C35 CTL2 -0.180000 12.0110 0 6015 DPE 50 DPPE H5X HAL2 0.090000 1.0080 0 6016 DPE 50 DPPE H5Y HAL2 0.090000 1.0080 0 6017 DPE 50 DPPE C36 CTL2 -0.180000 12.0110 0 6018 DPE 50 DPPE H6X HAL2 0.090000 1.0080 0 6019 DPE 50 DPPE H6Y HAL2 0.090000 1.0080 0 6020 DPE 50 DPPE C37 CTL2 -0.180000 12.0110 0 6021 DPE 50 DPPE H7X HAL2 0.090000 1.0080 0 6022 DPE 50 DPPE H7Y HAL2 0.090000 1.0080 0 6023 DPE 50 DPPE C38 CTL2 -0.180000 12.0110 0 6024 DPE 50 DPPE H8X HAL2 0.090000 1.0080 0 6025 DPE 50 DPPE H8Y HAL2 0.090000 1.0080 0 6026 DPE 50 DPPE C39 CTL2 -0.180000 12.0110 0 6027 DPE 50 DPPE H9X HAL2 0.090000 1.0080 0 6028 DPE 50 DPPE H9Y HAL2 0.090000 1.0080 0 6029 DPE 50 DPPE C310 CTL2 -0.180000 12.0110 0 6030 DPE 50 DPPE H10X HAL2 0.090000 1.0080 0 6031 DPE 50 DPPE H10Y HAL2 0.090000 1.0080 0 6032 DPE 50 DPPE C311 CTL2 -0.180000 12.0110 0 6033 DPE 50 DPPE H11X HAL2 0.090000 1.0080 0 6034 DPE 50 DPPE H11Y HAL2 0.090000 1.0080 0 6035 DPE 50 DPPE C312 CTL2 -0.180000 12.0110 0 6036 DPE 50 DPPE H12X HAL2 0.090000 1.0080 0 6037 DPE 50 DPPE H12Y HAL2 0.090000 1.0080 0 6038 DPE 50 DPPE C313 CTL2 -0.180000 12.0110 0 6039 DPE 50 DPPE H13X HAL2 0.090000 1.0080 0 6040 DPE 50 DPPE H13Y HAL2 0.090000 1.0080 0 6041 DPE 50 DPPE C314 CTL2 -0.180000 12.0110 0 6042 DPE 50 DPPE H14X HAL2 0.090000 1.0080 0 6043 DPE 50 DPPE H14Y HAL2 0.090000 1.0080 0 6044 DPE 50 DPPE C315 CTL2 -0.180000 12.0110 0 6045 DPE 50 DPPE H15X HAL2 0.090000 1.0080 0 6046 DPE 50 DPPE H15Y HAL2 0.090000 1.0080 0 6047 DPE 50 DPPE C316 CTL3 -0.270000 12.0110 0 6048 DPE 50 DPPE H16X HAL3 0.090000 1.0080 0 6049 DPE 50 DPPE H16Y HAL3 0.090000 1.0080 0 6050 DPE 50 DPPE H16Z HAL3 0.090000 1.0080 0 6051 DPE 51 DPPE N NH3L -0.300000 14.0070 0 6052 DPE 51 DPPE HN1 HCL 0.330000 1.0080 0 6053 DPE 51 DPPE HN2 HCL 0.330000 1.0080 0 6054 DPE 51 DPPE HN3 HCL 0.330000 1.0080 0 6055 DPE 51 DPPE C12 CTL2 0.130000 12.0110 0 6056 DPE 51 DPPE H12A HAL2 0.090000 1.0080 0 6057 DPE 51 DPPE H12B HAL2 0.090000 1.0080 0 6058 DPE 51 DPPE C11 CTL2 -0.080000 12.0110 0 6059 DPE 51 DPPE H11A HAL2 0.090000 1.0080 0 6060 DPE 51 DPPE H11B HAL2 0.090000 1.0080 0 6061 DPE 51 DPPE P PL 1.500000 30.9740 0 6062 DPE 51 DPPE O13 O2L -0.780000 15.9994 0 6063 DPE 51 DPPE O14 O2L -0.780000 15.9994 0 6064 DPE 51 DPPE O11 OSL -0.570000 15.9994 0 6065 DPE 51 DPPE O12 OSL -0.570000 15.9994 0 6066 DPE 51 DPPE C1 CTL2 -0.080000 12.0110 0 6067 DPE 51 DPPE HA HAL2 0.090000 1.0080 0 6068 DPE 51 DPPE HB HAL2 0.090000 1.0080 0 6069 DPE 51 DPPE C2 CTL1 0.040000 12.0110 0 6070 DPE 51 DPPE HS HAL1 0.090000 1.0080 0 6071 DPE 51 DPPE O21 OSL -0.340000 15.9994 0 6072 DPE 51 DPPE C21 CL 0.630000 12.0110 0 6073 DPE 51 DPPE O22 OBL -0.520000 15.9994 0 6074 DPE 51 DPPE C22 CTL2 -0.080000 12.0110 0 6075 DPE 51 DPPE H2R HAL2 0.090000 1.0080 0 6076 DPE 51 DPPE H2S HAL2 0.090000 1.0080 0 6077 DPE 51 DPPE C3 CTL2 -0.050000 12.0110 0 6078 DPE 51 DPPE HX HAL2 0.090000 1.0080 0 6079 DPE 51 DPPE HY HAL2 0.090000 1.0080 0 6080 DPE 51 DPPE O31 OSL -0.340000 15.9994 0 6081 DPE 51 DPPE C31 CL 0.630000 12.0110 0 6082 DPE 51 DPPE O32 OBL -0.520000 15.9994 0 6083 DPE 51 DPPE C32 CTL2 -0.080000 12.0110 0 6084 DPE 51 DPPE H2X HAL2 0.090000 1.0080 0 6085 DPE 51 DPPE H2Y HAL2 0.090000 1.0080 0 6086 DPE 51 DPPE C23 CTL2 -0.180000 12.0110 0 6087 DPE 51 DPPE H3R HAL2 0.090000 1.0080 0 6088 DPE 51 DPPE H3S HAL2 0.090000 1.0080 0 6089 DPE 51 DPPE C24 CTL2 -0.180000 12.0110 0 6090 DPE 51 DPPE H4R HAL2 0.090000 1.0080 0 6091 DPE 51 DPPE H4S HAL2 0.090000 1.0080 0 6092 DPE 51 DPPE C25 CTL2 -0.180000 12.0110 0 6093 DPE 51 DPPE H5R HAL2 0.090000 1.0080 0 6094 DPE 51 DPPE H5S HAL2 0.090000 1.0080 0 6095 DPE 51 DPPE C26 CTL2 -0.180000 12.0110 0 6096 DPE 51 DPPE H6R HAL2 0.090000 1.0080 0 6097 DPE 51 DPPE H6S HAL2 0.090000 1.0080 0 6098 DPE 51 DPPE C27 CTL2 -0.180000 12.0110 0 6099 DPE 51 DPPE H7R HAL2 0.090000 1.0080 0 6100 DPE 51 DPPE H7S HAL2 0.090000 1.0080 0 6101 DPE 51 DPPE C28 CTL2 -0.180000 12.0110 0 6102 DPE 51 DPPE H8R HAL2 0.090000 1.0080 0 6103 DPE 51 DPPE H8S HAL2 0.090000 1.0080 0 6104 DPE 51 DPPE C29 CTL2 -0.180000 12.0110 0 6105 DPE 51 DPPE H9R HAL2 0.090000 1.0080 0 6106 DPE 51 DPPE H9S HAL2 0.090000 1.0080 0 6107 DPE 51 DPPE C210 CTL2 -0.180000 12.0110 0 6108 DPE 51 DPPE H10R HAL2 0.090000 1.0080 0 6109 DPE 51 DPPE H10S HAL2 0.090000 1.0080 0 6110 DPE 51 DPPE C211 CTL2 -0.180000 12.0110 0 6111 DPE 51 DPPE H11R HAL2 0.090000 1.0080 0 6112 DPE 51 DPPE H11S HAL2 0.090000 1.0080 0 6113 DPE 51 DPPE C212 CTL2 -0.180000 12.0110 0 6114 DPE 51 DPPE H12R HAL2 0.090000 1.0080 0 6115 DPE 51 DPPE H12S HAL2 0.090000 1.0080 0 6116 DPE 51 DPPE C213 CTL2 -0.180000 12.0110 0 6117 DPE 51 DPPE H13R HAL2 0.090000 1.0080 0 6118 DPE 51 DPPE H13S HAL2 0.090000 1.0080 0 6119 DPE 51 DPPE C214 CTL2 -0.180000 12.0110 0 6120 DPE 51 DPPE H14R HAL2 0.090000 1.0080 0 6121 DPE 51 DPPE H14S HAL2 0.090000 1.0080 0 6122 DPE 51 DPPE C215 CTL2 -0.180000 12.0110 0 6123 DPE 51 DPPE H15R HAL2 0.090000 1.0080 0 6124 DPE 51 DPPE H15S HAL2 0.090000 1.0080 0 6125 DPE 51 DPPE C216 CTL3 -0.270000 12.0110 0 6126 DPE 51 DPPE H16R HAL3 0.090000 1.0080 0 6127 DPE 51 DPPE H16S HAL3 0.090000 1.0080 0 6128 DPE 51 DPPE H16T HAL3 0.090000 1.0080 0 6129 DPE 51 DPPE C33 CTL2 -0.180000 12.0110 0 6130 DPE 51 DPPE H3X HAL2 0.090000 1.0080 0 6131 DPE 51 DPPE H3Y HAL2 0.090000 1.0080 0 6132 DPE 51 DPPE C34 CTL2 -0.180000 12.0110 0 6133 DPE 51 DPPE H4X HAL2 0.090000 1.0080 0 6134 DPE 51 DPPE H4Y HAL2 0.090000 1.0080 0 6135 DPE 51 DPPE C35 CTL2 -0.180000 12.0110 0 6136 DPE 51 DPPE H5X HAL2 0.090000 1.0080 0 6137 DPE 51 DPPE H5Y HAL2 0.090000 1.0080 0 6138 DPE 51 DPPE C36 CTL2 -0.180000 12.0110 0 6139 DPE 51 DPPE H6X HAL2 0.090000 1.0080 0 6140 DPE 51 DPPE H6Y HAL2 0.090000 1.0080 0 6141 DPE 51 DPPE C37 CTL2 -0.180000 12.0110 0 6142 DPE 51 DPPE H7X HAL2 0.090000 1.0080 0 6143 DPE 51 DPPE H7Y HAL2 0.090000 1.0080 0 6144 DPE 51 DPPE C38 CTL2 -0.180000 12.0110 0 6145 DPE 51 DPPE H8X HAL2 0.090000 1.0080 0 6146 DPE 51 DPPE H8Y HAL2 0.090000 1.0080 0 6147 DPE 51 DPPE C39 CTL2 -0.180000 12.0110 0 6148 DPE 51 DPPE H9X HAL2 0.090000 1.0080 0 6149 DPE 51 DPPE H9Y HAL2 0.090000 1.0080 0 6150 DPE 51 DPPE C310 CTL2 -0.180000 12.0110 0 6151 DPE 51 DPPE H10X HAL2 0.090000 1.0080 0 6152 DPE 51 DPPE H10Y HAL2 0.090000 1.0080 0 6153 DPE 51 DPPE C311 CTL2 -0.180000 12.0110 0 6154 DPE 51 DPPE H11X HAL2 0.090000 1.0080 0 6155 DPE 51 DPPE H11Y HAL2 0.090000 1.0080 0 6156 DPE 51 DPPE C312 CTL2 -0.180000 12.0110 0 6157 DPE 51 DPPE H12X HAL2 0.090000 1.0080 0 6158 DPE 51 DPPE H12Y HAL2 0.090000 1.0080 0 6159 DPE 51 DPPE C313 CTL2 -0.180000 12.0110 0 6160 DPE 51 DPPE H13X HAL2 0.090000 1.0080 0 6161 DPE 51 DPPE H13Y HAL2 0.090000 1.0080 0 6162 DPE 51 DPPE C314 CTL2 -0.180000 12.0110 0 6163 DPE 51 DPPE H14X HAL2 0.090000 1.0080 0 6164 DPE 51 DPPE H14Y HAL2 0.090000 1.0080 0 6165 DPE 51 DPPE C315 CTL2 -0.180000 12.0110 0 6166 DPE 51 DPPE H15X HAL2 0.090000 1.0080 0 6167 DPE 51 DPPE H15Y HAL2 0.090000 1.0080 0 6168 DPE 51 DPPE C316 CTL3 -0.270000 12.0110 0 6169 DPE 51 DPPE H16X HAL3 0.090000 1.0080 0 6170 DPE 51 DPPE H16Y HAL3 0.090000 1.0080 0 6171 DPE 51 DPPE H16Z HAL3 0.090000 1.0080 0 6172 DPE 52 DPPE N NH3L -0.300000 14.0070 0 6173 DPE 52 DPPE HN1 HCL 0.330000 1.0080 0 6174 DPE 52 DPPE HN2 HCL 0.330000 1.0080 0 6175 DPE 52 DPPE HN3 HCL 0.330000 1.0080 0 6176 DPE 52 DPPE C12 CTL2 0.130000 12.0110 0 6177 DPE 52 DPPE H12A HAL2 0.090000 1.0080 0 6178 DPE 52 DPPE H12B HAL2 0.090000 1.0080 0 6179 DPE 52 DPPE C11 CTL2 -0.080000 12.0110 0 6180 DPE 52 DPPE H11A HAL2 0.090000 1.0080 0 6181 DPE 52 DPPE H11B HAL2 0.090000 1.0080 0 6182 DPE 52 DPPE P PL 1.500000 30.9740 0 6183 DPE 52 DPPE O13 O2L -0.780000 15.9994 0 6184 DPE 52 DPPE O14 O2L -0.780000 15.9994 0 6185 DPE 52 DPPE O11 OSL -0.570000 15.9994 0 6186 DPE 52 DPPE O12 OSL -0.570000 15.9994 0 6187 DPE 52 DPPE C1 CTL2 -0.080000 12.0110 0 6188 DPE 52 DPPE HA HAL2 0.090000 1.0080 0 6189 DPE 52 DPPE HB HAL2 0.090000 1.0080 0 6190 DPE 52 DPPE C2 CTL1 0.040000 12.0110 0 6191 DPE 52 DPPE HS HAL1 0.090000 1.0080 0 6192 DPE 52 DPPE O21 OSL -0.340000 15.9994 0 6193 DPE 52 DPPE C21 CL 0.630000 12.0110 0 6194 DPE 52 DPPE O22 OBL -0.520000 15.9994 0 6195 DPE 52 DPPE C22 CTL2 -0.080000 12.0110 0 6196 DPE 52 DPPE H2R HAL2 0.090000 1.0080 0 6197 DPE 52 DPPE H2S HAL2 0.090000 1.0080 0 6198 DPE 52 DPPE C3 CTL2 -0.050000 12.0110 0 6199 DPE 52 DPPE HX HAL2 0.090000 1.0080 0 6200 DPE 52 DPPE HY HAL2 0.090000 1.0080 0 6201 DPE 52 DPPE O31 OSL -0.340000 15.9994 0 6202 DPE 52 DPPE C31 CL 0.630000 12.0110 0 6203 DPE 52 DPPE O32 OBL -0.520000 15.9994 0 6204 DPE 52 DPPE C32 CTL2 -0.080000 12.0110 0 6205 DPE 52 DPPE H2X HAL2 0.090000 1.0080 0 6206 DPE 52 DPPE H2Y HAL2 0.090000 1.0080 0 6207 DPE 52 DPPE C23 CTL2 -0.180000 12.0110 0 6208 DPE 52 DPPE H3R HAL2 0.090000 1.0080 0 6209 DPE 52 DPPE H3S HAL2 0.090000 1.0080 0 6210 DPE 52 DPPE C24 CTL2 -0.180000 12.0110 0 6211 DPE 52 DPPE H4R HAL2 0.090000 1.0080 0 6212 DPE 52 DPPE H4S HAL2 0.090000 1.0080 0 6213 DPE 52 DPPE C25 CTL2 -0.180000 12.0110 0 6214 DPE 52 DPPE H5R HAL2 0.090000 1.0080 0 6215 DPE 52 DPPE H5S HAL2 0.090000 1.0080 0 6216 DPE 52 DPPE C26 CTL2 -0.180000 12.0110 0 6217 DPE 52 DPPE H6R HAL2 0.090000 1.0080 0 6218 DPE 52 DPPE H6S HAL2 0.090000 1.0080 0 6219 DPE 52 DPPE C27 CTL2 -0.180000 12.0110 0 6220 DPE 52 DPPE H7R HAL2 0.090000 1.0080 0 6221 DPE 52 DPPE H7S HAL2 0.090000 1.0080 0 6222 DPE 52 DPPE C28 CTL2 -0.180000 12.0110 0 6223 DPE 52 DPPE H8R HAL2 0.090000 1.0080 0 6224 DPE 52 DPPE H8S HAL2 0.090000 1.0080 0 6225 DPE 52 DPPE C29 CTL2 -0.180000 12.0110 0 6226 DPE 52 DPPE H9R HAL2 0.090000 1.0080 0 6227 DPE 52 DPPE H9S HAL2 0.090000 1.0080 0 6228 DPE 52 DPPE C210 CTL2 -0.180000 12.0110 0 6229 DPE 52 DPPE H10R HAL2 0.090000 1.0080 0 6230 DPE 52 DPPE H10S HAL2 0.090000 1.0080 0 6231 DPE 52 DPPE C211 CTL2 -0.180000 12.0110 0 6232 DPE 52 DPPE H11R HAL2 0.090000 1.0080 0 6233 DPE 52 DPPE H11S HAL2 0.090000 1.0080 0 6234 DPE 52 DPPE C212 CTL2 -0.180000 12.0110 0 6235 DPE 52 DPPE H12R HAL2 0.090000 1.0080 0 6236 DPE 52 DPPE H12S HAL2 0.090000 1.0080 0 6237 DPE 52 DPPE C213 CTL2 -0.180000 12.0110 0 6238 DPE 52 DPPE H13R HAL2 0.090000 1.0080 0 6239 DPE 52 DPPE H13S HAL2 0.090000 1.0080 0 6240 DPE 52 DPPE C214 CTL2 -0.180000 12.0110 0 6241 DPE 52 DPPE H14R HAL2 0.090000 1.0080 0 6242 DPE 52 DPPE H14S HAL2 0.090000 1.0080 0 6243 DPE 52 DPPE C215 CTL2 -0.180000 12.0110 0 6244 DPE 52 DPPE H15R HAL2 0.090000 1.0080 0 6245 DPE 52 DPPE H15S HAL2 0.090000 1.0080 0 6246 DPE 52 DPPE C216 CTL3 -0.270000 12.0110 0 6247 DPE 52 DPPE H16R HAL3 0.090000 1.0080 0 6248 DPE 52 DPPE H16S HAL3 0.090000 1.0080 0 6249 DPE 52 DPPE H16T HAL3 0.090000 1.0080 0 6250 DPE 52 DPPE C33 CTL2 -0.180000 12.0110 0 6251 DPE 52 DPPE H3X HAL2 0.090000 1.0080 0 6252 DPE 52 DPPE H3Y HAL2 0.090000 1.0080 0 6253 DPE 52 DPPE C34 CTL2 -0.180000 12.0110 0 6254 DPE 52 DPPE H4X HAL2 0.090000 1.0080 0 6255 DPE 52 DPPE H4Y HAL2 0.090000 1.0080 0 6256 DPE 52 DPPE C35 CTL2 -0.180000 12.0110 0 6257 DPE 52 DPPE H5X HAL2 0.090000 1.0080 0 6258 DPE 52 DPPE H5Y HAL2 0.090000 1.0080 0 6259 DPE 52 DPPE C36 CTL2 -0.180000 12.0110 0 6260 DPE 52 DPPE H6X HAL2 0.090000 1.0080 0 6261 DPE 52 DPPE H6Y HAL2 0.090000 1.0080 0 6262 DPE 52 DPPE C37 CTL2 -0.180000 12.0110 0 6263 DPE 52 DPPE H7X HAL2 0.090000 1.0080 0 6264 DPE 52 DPPE H7Y HAL2 0.090000 1.0080 0 6265 DPE 52 DPPE C38 CTL2 -0.180000 12.0110 0 6266 DPE 52 DPPE H8X HAL2 0.090000 1.0080 0 6267 DPE 52 DPPE H8Y HAL2 0.090000 1.0080 0 6268 DPE 52 DPPE C39 CTL2 -0.180000 12.0110 0 6269 DPE 52 DPPE H9X HAL2 0.090000 1.0080 0 6270 DPE 52 DPPE H9Y HAL2 0.090000 1.0080 0 6271 DPE 52 DPPE C310 CTL2 -0.180000 12.0110 0 6272 DPE 52 DPPE H10X HAL2 0.090000 1.0080 0 6273 DPE 52 DPPE H10Y HAL2 0.090000 1.0080 0 6274 DPE 52 DPPE C311 CTL2 -0.180000 12.0110 0 6275 DPE 52 DPPE H11X HAL2 0.090000 1.0080 0 6276 DPE 52 DPPE H11Y HAL2 0.090000 1.0080 0 6277 DPE 52 DPPE C312 CTL2 -0.180000 12.0110 0 6278 DPE 52 DPPE H12X HAL2 0.090000 1.0080 0 6279 DPE 52 DPPE H12Y HAL2 0.090000 1.0080 0 6280 DPE 52 DPPE C313 CTL2 -0.180000 12.0110 0 6281 DPE 52 DPPE H13X HAL2 0.090000 1.0080 0 6282 DPE 52 DPPE H13Y HAL2 0.090000 1.0080 0 6283 DPE 52 DPPE C314 CTL2 -0.180000 12.0110 0 6284 DPE 52 DPPE H14X HAL2 0.090000 1.0080 0 6285 DPE 52 DPPE H14Y HAL2 0.090000 1.0080 0 6286 DPE 52 DPPE C315 CTL2 -0.180000 12.0110 0 6287 DPE 52 DPPE H15X HAL2 0.090000 1.0080 0 6288 DPE 52 DPPE H15Y HAL2 0.090000 1.0080 0 6289 DPE 52 DPPE C316 CTL3 -0.270000 12.0110 0 6290 DPE 52 DPPE H16X HAL3 0.090000 1.0080 0 6291 DPE 52 DPPE H16Y HAL3 0.090000 1.0080 0 6292 DPE 52 DPPE H16Z HAL3 0.090000 1.0080 0 6293 DPE 53 DPPE N NH3L -0.300000 14.0070 0 6294 DPE 53 DPPE HN1 HCL 0.330000 1.0080 0 6295 DPE 53 DPPE HN2 HCL 0.330000 1.0080 0 6296 DPE 53 DPPE HN3 HCL 0.330000 1.0080 0 6297 DPE 53 DPPE C12 CTL2 0.130000 12.0110 0 6298 DPE 53 DPPE H12A HAL2 0.090000 1.0080 0 6299 DPE 53 DPPE H12B HAL2 0.090000 1.0080 0 6300 DPE 53 DPPE C11 CTL2 -0.080000 12.0110 0 6301 DPE 53 DPPE H11A HAL2 0.090000 1.0080 0 6302 DPE 53 DPPE H11B HAL2 0.090000 1.0080 0 6303 DPE 53 DPPE P PL 1.500000 30.9740 0 6304 DPE 53 DPPE O13 O2L -0.780000 15.9994 0 6305 DPE 53 DPPE O14 O2L -0.780000 15.9994 0 6306 DPE 53 DPPE O11 OSL -0.570000 15.9994 0 6307 DPE 53 DPPE O12 OSL -0.570000 15.9994 0 6308 DPE 53 DPPE C1 CTL2 -0.080000 12.0110 0 6309 DPE 53 DPPE HA HAL2 0.090000 1.0080 0 6310 DPE 53 DPPE HB HAL2 0.090000 1.0080 0 6311 DPE 53 DPPE C2 CTL1 0.040000 12.0110 0 6312 DPE 53 DPPE HS HAL1 0.090000 1.0080 0 6313 DPE 53 DPPE O21 OSL -0.340000 15.9994 0 6314 DPE 53 DPPE C21 CL 0.630000 12.0110 0 6315 DPE 53 DPPE O22 OBL -0.520000 15.9994 0 6316 DPE 53 DPPE C22 CTL2 -0.080000 12.0110 0 6317 DPE 53 DPPE H2R HAL2 0.090000 1.0080 0 6318 DPE 53 DPPE H2S HAL2 0.090000 1.0080 0 6319 DPE 53 DPPE C3 CTL2 -0.050000 12.0110 0 6320 DPE 53 DPPE HX HAL2 0.090000 1.0080 0 6321 DPE 53 DPPE HY HAL2 0.090000 1.0080 0 6322 DPE 53 DPPE O31 OSL -0.340000 15.9994 0 6323 DPE 53 DPPE C31 CL 0.630000 12.0110 0 6324 DPE 53 DPPE O32 OBL -0.520000 15.9994 0 6325 DPE 53 DPPE C32 CTL2 -0.080000 12.0110 0 6326 DPE 53 DPPE H2X HAL2 0.090000 1.0080 0 6327 DPE 53 DPPE H2Y HAL2 0.090000 1.0080 0 6328 DPE 53 DPPE C23 CTL2 -0.180000 12.0110 0 6329 DPE 53 DPPE H3R HAL2 0.090000 1.0080 0 6330 DPE 53 DPPE H3S HAL2 0.090000 1.0080 0 6331 DPE 53 DPPE C24 CTL2 -0.180000 12.0110 0 6332 DPE 53 DPPE H4R HAL2 0.090000 1.0080 0 6333 DPE 53 DPPE H4S HAL2 0.090000 1.0080 0 6334 DPE 53 DPPE C25 CTL2 -0.180000 12.0110 0 6335 DPE 53 DPPE H5R HAL2 0.090000 1.0080 0 6336 DPE 53 DPPE H5S HAL2 0.090000 1.0080 0 6337 DPE 53 DPPE C26 CTL2 -0.180000 12.0110 0 6338 DPE 53 DPPE H6R HAL2 0.090000 1.0080 0 6339 DPE 53 DPPE H6S HAL2 0.090000 1.0080 0 6340 DPE 53 DPPE C27 CTL2 -0.180000 12.0110 0 6341 DPE 53 DPPE H7R HAL2 0.090000 1.0080 0 6342 DPE 53 DPPE H7S HAL2 0.090000 1.0080 0 6343 DPE 53 DPPE C28 CTL2 -0.180000 12.0110 0 6344 DPE 53 DPPE H8R HAL2 0.090000 1.0080 0 6345 DPE 53 DPPE H8S HAL2 0.090000 1.0080 0 6346 DPE 53 DPPE C29 CTL2 -0.180000 12.0110 0 6347 DPE 53 DPPE H9R HAL2 0.090000 1.0080 0 6348 DPE 53 DPPE H9S HAL2 0.090000 1.0080 0 6349 DPE 53 DPPE C210 CTL2 -0.180000 12.0110 0 6350 DPE 53 DPPE H10R HAL2 0.090000 1.0080 0 6351 DPE 53 DPPE H10S HAL2 0.090000 1.0080 0 6352 DPE 53 DPPE C211 CTL2 -0.180000 12.0110 0 6353 DPE 53 DPPE H11R HAL2 0.090000 1.0080 0 6354 DPE 53 DPPE H11S HAL2 0.090000 1.0080 0 6355 DPE 53 DPPE C212 CTL2 -0.180000 12.0110 0 6356 DPE 53 DPPE H12R HAL2 0.090000 1.0080 0 6357 DPE 53 DPPE H12S HAL2 0.090000 1.0080 0 6358 DPE 53 DPPE C213 CTL2 -0.180000 12.0110 0 6359 DPE 53 DPPE H13R HAL2 0.090000 1.0080 0 6360 DPE 53 DPPE H13S HAL2 0.090000 1.0080 0 6361 DPE 53 DPPE C214 CTL2 -0.180000 12.0110 0 6362 DPE 53 DPPE H14R HAL2 0.090000 1.0080 0 6363 DPE 53 DPPE H14S HAL2 0.090000 1.0080 0 6364 DPE 53 DPPE C215 CTL2 -0.180000 12.0110 0 6365 DPE 53 DPPE H15R HAL2 0.090000 1.0080 0 6366 DPE 53 DPPE H15S HAL2 0.090000 1.0080 0 6367 DPE 53 DPPE C216 CTL3 -0.270000 12.0110 0 6368 DPE 53 DPPE H16R HAL3 0.090000 1.0080 0 6369 DPE 53 DPPE H16S HAL3 0.090000 1.0080 0 6370 DPE 53 DPPE H16T HAL3 0.090000 1.0080 0 6371 DPE 53 DPPE C33 CTL2 -0.180000 12.0110 0 6372 DPE 53 DPPE H3X HAL2 0.090000 1.0080 0 6373 DPE 53 DPPE H3Y HAL2 0.090000 1.0080 0 6374 DPE 53 DPPE C34 CTL2 -0.180000 12.0110 0 6375 DPE 53 DPPE H4X HAL2 0.090000 1.0080 0 6376 DPE 53 DPPE H4Y HAL2 0.090000 1.0080 0 6377 DPE 53 DPPE C35 CTL2 -0.180000 12.0110 0 6378 DPE 53 DPPE H5X HAL2 0.090000 1.0080 0 6379 DPE 53 DPPE H5Y HAL2 0.090000 1.0080 0 6380 DPE 53 DPPE C36 CTL2 -0.180000 12.0110 0 6381 DPE 53 DPPE H6X HAL2 0.090000 1.0080 0 6382 DPE 53 DPPE H6Y HAL2 0.090000 1.0080 0 6383 DPE 53 DPPE C37 CTL2 -0.180000 12.0110 0 6384 DPE 53 DPPE H7X HAL2 0.090000 1.0080 0 6385 DPE 53 DPPE H7Y HAL2 0.090000 1.0080 0 6386 DPE 53 DPPE C38 CTL2 -0.180000 12.0110 0 6387 DPE 53 DPPE H8X HAL2 0.090000 1.0080 0 6388 DPE 53 DPPE H8Y HAL2 0.090000 1.0080 0 6389 DPE 53 DPPE C39 CTL2 -0.180000 12.0110 0 6390 DPE 53 DPPE H9X HAL2 0.090000 1.0080 0 6391 DPE 53 DPPE H9Y HAL2 0.090000 1.0080 0 6392 DPE 53 DPPE C310 CTL2 -0.180000 12.0110 0 6393 DPE 53 DPPE H10X HAL2 0.090000 1.0080 0 6394 DPE 53 DPPE H10Y HAL2 0.090000 1.0080 0 6395 DPE 53 DPPE C311 CTL2 -0.180000 12.0110 0 6396 DPE 53 DPPE H11X HAL2 0.090000 1.0080 0 6397 DPE 53 DPPE H11Y HAL2 0.090000 1.0080 0 6398 DPE 53 DPPE C312 CTL2 -0.180000 12.0110 0 6399 DPE 53 DPPE H12X HAL2 0.090000 1.0080 0 6400 DPE 53 DPPE H12Y HAL2 0.090000 1.0080 0 6401 DPE 53 DPPE C313 CTL2 -0.180000 12.0110 0 6402 DPE 53 DPPE H13X HAL2 0.090000 1.0080 0 6403 DPE 53 DPPE H13Y HAL2 0.090000 1.0080 0 6404 DPE 53 DPPE C314 CTL2 -0.180000 12.0110 0 6405 DPE 53 DPPE H14X HAL2 0.090000 1.0080 0 6406 DPE 53 DPPE H14Y HAL2 0.090000 1.0080 0 6407 DPE 53 DPPE C315 CTL2 -0.180000 12.0110 0 6408 DPE 53 DPPE H15X HAL2 0.090000 1.0080 0 6409 DPE 53 DPPE H15Y HAL2 0.090000 1.0080 0 6410 DPE 53 DPPE C316 CTL3 -0.270000 12.0110 0 6411 DPE 53 DPPE H16X HAL3 0.090000 1.0080 0 6412 DPE 53 DPPE H16Y HAL3 0.090000 1.0080 0 6413 DPE 53 DPPE H16Z HAL3 0.090000 1.0080 0 6414 DPE 54 DPPE N NH3L -0.300000 14.0070 0 6415 DPE 54 DPPE HN1 HCL 0.330000 1.0080 0 6416 DPE 54 DPPE HN2 HCL 0.330000 1.0080 0 6417 DPE 54 DPPE HN3 HCL 0.330000 1.0080 0 6418 DPE 54 DPPE C12 CTL2 0.130000 12.0110 0 6419 DPE 54 DPPE H12A HAL2 0.090000 1.0080 0 6420 DPE 54 DPPE H12B HAL2 0.090000 1.0080 0 6421 DPE 54 DPPE C11 CTL2 -0.080000 12.0110 0 6422 DPE 54 DPPE H11A HAL2 0.090000 1.0080 0 6423 DPE 54 DPPE H11B HAL2 0.090000 1.0080 0 6424 DPE 54 DPPE P PL 1.500000 30.9740 0 6425 DPE 54 DPPE O13 O2L -0.780000 15.9994 0 6426 DPE 54 DPPE O14 O2L -0.780000 15.9994 0 6427 DPE 54 DPPE O11 OSL -0.570000 15.9994 0 6428 DPE 54 DPPE O12 OSL -0.570000 15.9994 0 6429 DPE 54 DPPE C1 CTL2 -0.080000 12.0110 0 6430 DPE 54 DPPE HA HAL2 0.090000 1.0080 0 6431 DPE 54 DPPE HB HAL2 0.090000 1.0080 0 6432 DPE 54 DPPE C2 CTL1 0.040000 12.0110 0 6433 DPE 54 DPPE HS HAL1 0.090000 1.0080 0 6434 DPE 54 DPPE O21 OSL -0.340000 15.9994 0 6435 DPE 54 DPPE C21 CL 0.630000 12.0110 0 6436 DPE 54 DPPE O22 OBL -0.520000 15.9994 0 6437 DPE 54 DPPE C22 CTL2 -0.080000 12.0110 0 6438 DPE 54 DPPE H2R HAL2 0.090000 1.0080 0 6439 DPE 54 DPPE H2S HAL2 0.090000 1.0080 0 6440 DPE 54 DPPE C3 CTL2 -0.050000 12.0110 0 6441 DPE 54 DPPE HX HAL2 0.090000 1.0080 0 6442 DPE 54 DPPE HY HAL2 0.090000 1.0080 0 6443 DPE 54 DPPE O31 OSL -0.340000 15.9994 0 6444 DPE 54 DPPE C31 CL 0.630000 12.0110 0 6445 DPE 54 DPPE O32 OBL -0.520000 15.9994 0 6446 DPE 54 DPPE C32 CTL2 -0.080000 12.0110 0 6447 DPE 54 DPPE H2X HAL2 0.090000 1.0080 0 6448 DPE 54 DPPE H2Y HAL2 0.090000 1.0080 0 6449 DPE 54 DPPE C23 CTL2 -0.180000 12.0110 0 6450 DPE 54 DPPE H3R HAL2 0.090000 1.0080 0 6451 DPE 54 DPPE H3S HAL2 0.090000 1.0080 0 6452 DPE 54 DPPE C24 CTL2 -0.180000 12.0110 0 6453 DPE 54 DPPE H4R HAL2 0.090000 1.0080 0 6454 DPE 54 DPPE H4S HAL2 0.090000 1.0080 0 6455 DPE 54 DPPE C25 CTL2 -0.180000 12.0110 0 6456 DPE 54 DPPE H5R HAL2 0.090000 1.0080 0 6457 DPE 54 DPPE H5S HAL2 0.090000 1.0080 0 6458 DPE 54 DPPE C26 CTL2 -0.180000 12.0110 0 6459 DPE 54 DPPE H6R HAL2 0.090000 1.0080 0 6460 DPE 54 DPPE H6S HAL2 0.090000 1.0080 0 6461 DPE 54 DPPE C27 CTL2 -0.180000 12.0110 0 6462 DPE 54 DPPE H7R HAL2 0.090000 1.0080 0 6463 DPE 54 DPPE H7S HAL2 0.090000 1.0080 0 6464 DPE 54 DPPE C28 CTL2 -0.180000 12.0110 0 6465 DPE 54 DPPE H8R HAL2 0.090000 1.0080 0 6466 DPE 54 DPPE H8S HAL2 0.090000 1.0080 0 6467 DPE 54 DPPE C29 CTL2 -0.180000 12.0110 0 6468 DPE 54 DPPE H9R HAL2 0.090000 1.0080 0 6469 DPE 54 DPPE H9S HAL2 0.090000 1.0080 0 6470 DPE 54 DPPE C210 CTL2 -0.180000 12.0110 0 6471 DPE 54 DPPE H10R HAL2 0.090000 1.0080 0 6472 DPE 54 DPPE H10S HAL2 0.090000 1.0080 0 6473 DPE 54 DPPE C211 CTL2 -0.180000 12.0110 0 6474 DPE 54 DPPE H11R HAL2 0.090000 1.0080 0 6475 DPE 54 DPPE H11S HAL2 0.090000 1.0080 0 6476 DPE 54 DPPE C212 CTL2 -0.180000 12.0110 0 6477 DPE 54 DPPE H12R HAL2 0.090000 1.0080 0 6478 DPE 54 DPPE H12S HAL2 0.090000 1.0080 0 6479 DPE 54 DPPE C213 CTL2 -0.180000 12.0110 0 6480 DPE 54 DPPE H13R HAL2 0.090000 1.0080 0 6481 DPE 54 DPPE H13S HAL2 0.090000 1.0080 0 6482 DPE 54 DPPE C214 CTL2 -0.180000 12.0110 0 6483 DPE 54 DPPE H14R HAL2 0.090000 1.0080 0 6484 DPE 54 DPPE H14S HAL2 0.090000 1.0080 0 6485 DPE 54 DPPE C215 CTL2 -0.180000 12.0110 0 6486 DPE 54 DPPE H15R HAL2 0.090000 1.0080 0 6487 DPE 54 DPPE H15S HAL2 0.090000 1.0080 0 6488 DPE 54 DPPE C216 CTL3 -0.270000 12.0110 0 6489 DPE 54 DPPE H16R HAL3 0.090000 1.0080 0 6490 DPE 54 DPPE H16S HAL3 0.090000 1.0080 0 6491 DPE 54 DPPE H16T HAL3 0.090000 1.0080 0 6492 DPE 54 DPPE C33 CTL2 -0.180000 12.0110 0 6493 DPE 54 DPPE H3X HAL2 0.090000 1.0080 0 6494 DPE 54 DPPE H3Y HAL2 0.090000 1.0080 0 6495 DPE 54 DPPE C34 CTL2 -0.180000 12.0110 0 6496 DPE 54 DPPE H4X HAL2 0.090000 1.0080 0 6497 DPE 54 DPPE H4Y HAL2 0.090000 1.0080 0 6498 DPE 54 DPPE C35 CTL2 -0.180000 12.0110 0 6499 DPE 54 DPPE H5X HAL2 0.090000 1.0080 0 6500 DPE 54 DPPE H5Y HAL2 0.090000 1.0080 0 6501 DPE 54 DPPE C36 CTL2 -0.180000 12.0110 0 6502 DPE 54 DPPE H6X HAL2 0.090000 1.0080 0 6503 DPE 54 DPPE H6Y HAL2 0.090000 1.0080 0 6504 DPE 54 DPPE C37 CTL2 -0.180000 12.0110 0 6505 DPE 54 DPPE H7X HAL2 0.090000 1.0080 0 6506 DPE 54 DPPE H7Y HAL2 0.090000 1.0080 0 6507 DPE 54 DPPE C38 CTL2 -0.180000 12.0110 0 6508 DPE 54 DPPE H8X HAL2 0.090000 1.0080 0 6509 DPE 54 DPPE H8Y HAL2 0.090000 1.0080 0 6510 DPE 54 DPPE C39 CTL2 -0.180000 12.0110 0 6511 DPE 54 DPPE H9X HAL2 0.090000 1.0080 0 6512 DPE 54 DPPE H9Y HAL2 0.090000 1.0080 0 6513 DPE 54 DPPE C310 CTL2 -0.180000 12.0110 0 6514 DPE 54 DPPE H10X HAL2 0.090000 1.0080 0 6515 DPE 54 DPPE H10Y HAL2 0.090000 1.0080 0 6516 DPE 54 DPPE C311 CTL2 -0.180000 12.0110 0 6517 DPE 54 DPPE H11X HAL2 0.090000 1.0080 0 6518 DPE 54 DPPE H11Y HAL2 0.090000 1.0080 0 6519 DPE 54 DPPE C312 CTL2 -0.180000 12.0110 0 6520 DPE 54 DPPE H12X HAL2 0.090000 1.0080 0 6521 DPE 54 DPPE H12Y HAL2 0.090000 1.0080 0 6522 DPE 54 DPPE C313 CTL2 -0.180000 12.0110 0 6523 DPE 54 DPPE H13X HAL2 0.090000 1.0080 0 6524 DPE 54 DPPE H13Y HAL2 0.090000 1.0080 0 6525 DPE 54 DPPE C314 CTL2 -0.180000 12.0110 0 6526 DPE 54 DPPE H14X HAL2 0.090000 1.0080 0 6527 DPE 54 DPPE H14Y HAL2 0.090000 1.0080 0 6528 DPE 54 DPPE C315 CTL2 -0.180000 12.0110 0 6529 DPE 54 DPPE H15X HAL2 0.090000 1.0080 0 6530 DPE 54 DPPE H15Y HAL2 0.090000 1.0080 0 6531 DPE 54 DPPE C316 CTL3 -0.270000 12.0110 0 6532 DPE 54 DPPE H16X HAL3 0.090000 1.0080 0 6533 DPE 54 DPPE H16Y HAL3 0.090000 1.0080 0 6534 DPE 54 DPPE H16Z HAL3 0.090000 1.0080 0 6535 DPE 55 DPPE N NH3L -0.300000 14.0070 0 6536 DPE 55 DPPE HN1 HCL 0.330000 1.0080 0 6537 DPE 55 DPPE HN2 HCL 0.330000 1.0080 0 6538 DPE 55 DPPE HN3 HCL 0.330000 1.0080 0 6539 DPE 55 DPPE C12 CTL2 0.130000 12.0110 0 6540 DPE 55 DPPE H12A HAL2 0.090000 1.0080 0 6541 DPE 55 DPPE H12B HAL2 0.090000 1.0080 0 6542 DPE 55 DPPE C11 CTL2 -0.080000 12.0110 0 6543 DPE 55 DPPE H11A HAL2 0.090000 1.0080 0 6544 DPE 55 DPPE H11B HAL2 0.090000 1.0080 0 6545 DPE 55 DPPE P PL 1.500000 30.9740 0 6546 DPE 55 DPPE O13 O2L -0.780000 15.9994 0 6547 DPE 55 DPPE O14 O2L -0.780000 15.9994 0 6548 DPE 55 DPPE O11 OSL -0.570000 15.9994 0 6549 DPE 55 DPPE O12 OSL -0.570000 15.9994 0 6550 DPE 55 DPPE C1 CTL2 -0.080000 12.0110 0 6551 DPE 55 DPPE HA HAL2 0.090000 1.0080 0 6552 DPE 55 DPPE HB HAL2 0.090000 1.0080 0 6553 DPE 55 DPPE C2 CTL1 0.040000 12.0110 0 6554 DPE 55 DPPE HS HAL1 0.090000 1.0080 0 6555 DPE 55 DPPE O21 OSL -0.340000 15.9994 0 6556 DPE 55 DPPE C21 CL 0.630000 12.0110 0 6557 DPE 55 DPPE O22 OBL -0.520000 15.9994 0 6558 DPE 55 DPPE C22 CTL2 -0.080000 12.0110 0 6559 DPE 55 DPPE H2R HAL2 0.090000 1.0080 0 6560 DPE 55 DPPE H2S HAL2 0.090000 1.0080 0 6561 DPE 55 DPPE C3 CTL2 -0.050000 12.0110 0 6562 DPE 55 DPPE HX HAL2 0.090000 1.0080 0 6563 DPE 55 DPPE HY HAL2 0.090000 1.0080 0 6564 DPE 55 DPPE O31 OSL -0.340000 15.9994 0 6565 DPE 55 DPPE C31 CL 0.630000 12.0110 0 6566 DPE 55 DPPE O32 OBL -0.520000 15.9994 0 6567 DPE 55 DPPE C32 CTL2 -0.080000 12.0110 0 6568 DPE 55 DPPE H2X HAL2 0.090000 1.0080 0 6569 DPE 55 DPPE H2Y HAL2 0.090000 1.0080 0 6570 DPE 55 DPPE C23 CTL2 -0.180000 12.0110 0 6571 DPE 55 DPPE H3R HAL2 0.090000 1.0080 0 6572 DPE 55 DPPE H3S HAL2 0.090000 1.0080 0 6573 DPE 55 DPPE C24 CTL2 -0.180000 12.0110 0 6574 DPE 55 DPPE H4R HAL2 0.090000 1.0080 0 6575 DPE 55 DPPE H4S HAL2 0.090000 1.0080 0 6576 DPE 55 DPPE C25 CTL2 -0.180000 12.0110 0 6577 DPE 55 DPPE H5R HAL2 0.090000 1.0080 0 6578 DPE 55 DPPE H5S HAL2 0.090000 1.0080 0 6579 DPE 55 DPPE C26 CTL2 -0.180000 12.0110 0 6580 DPE 55 DPPE H6R HAL2 0.090000 1.0080 0 6581 DPE 55 DPPE H6S HAL2 0.090000 1.0080 0 6582 DPE 55 DPPE C27 CTL2 -0.180000 12.0110 0 6583 DPE 55 DPPE H7R HAL2 0.090000 1.0080 0 6584 DPE 55 DPPE H7S HAL2 0.090000 1.0080 0 6585 DPE 55 DPPE C28 CTL2 -0.180000 12.0110 0 6586 DPE 55 DPPE H8R HAL2 0.090000 1.0080 0 6587 DPE 55 DPPE H8S HAL2 0.090000 1.0080 0 6588 DPE 55 DPPE C29 CTL2 -0.180000 12.0110 0 6589 DPE 55 DPPE H9R HAL2 0.090000 1.0080 0 6590 DPE 55 DPPE H9S HAL2 0.090000 1.0080 0 6591 DPE 55 DPPE C210 CTL2 -0.180000 12.0110 0 6592 DPE 55 DPPE H10R HAL2 0.090000 1.0080 0 6593 DPE 55 DPPE H10S HAL2 0.090000 1.0080 0 6594 DPE 55 DPPE C211 CTL2 -0.180000 12.0110 0 6595 DPE 55 DPPE H11R HAL2 0.090000 1.0080 0 6596 DPE 55 DPPE H11S HAL2 0.090000 1.0080 0 6597 DPE 55 DPPE C212 CTL2 -0.180000 12.0110 0 6598 DPE 55 DPPE H12R HAL2 0.090000 1.0080 0 6599 DPE 55 DPPE H12S HAL2 0.090000 1.0080 0 6600 DPE 55 DPPE C213 CTL2 -0.180000 12.0110 0 6601 DPE 55 DPPE H13R HAL2 0.090000 1.0080 0 6602 DPE 55 DPPE H13S HAL2 0.090000 1.0080 0 6603 DPE 55 DPPE C214 CTL2 -0.180000 12.0110 0 6604 DPE 55 DPPE H14R HAL2 0.090000 1.0080 0 6605 DPE 55 DPPE H14S HAL2 0.090000 1.0080 0 6606 DPE 55 DPPE C215 CTL2 -0.180000 12.0110 0 6607 DPE 55 DPPE H15R HAL2 0.090000 1.0080 0 6608 DPE 55 DPPE H15S HAL2 0.090000 1.0080 0 6609 DPE 55 DPPE C216 CTL3 -0.270000 12.0110 0 6610 DPE 55 DPPE H16R HAL3 0.090000 1.0080 0 6611 DPE 55 DPPE H16S HAL3 0.090000 1.0080 0 6612 DPE 55 DPPE H16T HAL3 0.090000 1.0080 0 6613 DPE 55 DPPE C33 CTL2 -0.180000 12.0110 0 6614 DPE 55 DPPE H3X HAL2 0.090000 1.0080 0 6615 DPE 55 DPPE H3Y HAL2 0.090000 1.0080 0 6616 DPE 55 DPPE C34 CTL2 -0.180000 12.0110 0 6617 DPE 55 DPPE H4X HAL2 0.090000 1.0080 0 6618 DPE 55 DPPE H4Y HAL2 0.090000 1.0080 0 6619 DPE 55 DPPE C35 CTL2 -0.180000 12.0110 0 6620 DPE 55 DPPE H5X HAL2 0.090000 1.0080 0 6621 DPE 55 DPPE H5Y HAL2 0.090000 1.0080 0 6622 DPE 55 DPPE C36 CTL2 -0.180000 12.0110 0 6623 DPE 55 DPPE H6X HAL2 0.090000 1.0080 0 6624 DPE 55 DPPE H6Y HAL2 0.090000 1.0080 0 6625 DPE 55 DPPE C37 CTL2 -0.180000 12.0110 0 6626 DPE 55 DPPE H7X HAL2 0.090000 1.0080 0 6627 DPE 55 DPPE H7Y HAL2 0.090000 1.0080 0 6628 DPE 55 DPPE C38 CTL2 -0.180000 12.0110 0 6629 DPE 55 DPPE H8X HAL2 0.090000 1.0080 0 6630 DPE 55 DPPE H8Y HAL2 0.090000 1.0080 0 6631 DPE 55 DPPE C39 CTL2 -0.180000 12.0110 0 6632 DPE 55 DPPE H9X HAL2 0.090000 1.0080 0 6633 DPE 55 DPPE H9Y HAL2 0.090000 1.0080 0 6634 DPE 55 DPPE C310 CTL2 -0.180000 12.0110 0 6635 DPE 55 DPPE H10X HAL2 0.090000 1.0080 0 6636 DPE 55 DPPE H10Y HAL2 0.090000 1.0080 0 6637 DPE 55 DPPE C311 CTL2 -0.180000 12.0110 0 6638 DPE 55 DPPE H11X HAL2 0.090000 1.0080 0 6639 DPE 55 DPPE H11Y HAL2 0.090000 1.0080 0 6640 DPE 55 DPPE C312 CTL2 -0.180000 12.0110 0 6641 DPE 55 DPPE H12X HAL2 0.090000 1.0080 0 6642 DPE 55 DPPE H12Y HAL2 0.090000 1.0080 0 6643 DPE 55 DPPE C313 CTL2 -0.180000 12.0110 0 6644 DPE 55 DPPE H13X HAL2 0.090000 1.0080 0 6645 DPE 55 DPPE H13Y HAL2 0.090000 1.0080 0 6646 DPE 55 DPPE C314 CTL2 -0.180000 12.0110 0 6647 DPE 55 DPPE H14X HAL2 0.090000 1.0080 0 6648 DPE 55 DPPE H14Y HAL2 0.090000 1.0080 0 6649 DPE 55 DPPE C315 CTL2 -0.180000 12.0110 0 6650 DPE 55 DPPE H15X HAL2 0.090000 1.0080 0 6651 DPE 55 DPPE H15Y HAL2 0.090000 1.0080 0 6652 DPE 55 DPPE C316 CTL3 -0.270000 12.0110 0 6653 DPE 55 DPPE H16X HAL3 0.090000 1.0080 0 6654 DPE 55 DPPE H16Y HAL3 0.090000 1.0080 0 6655 DPE 55 DPPE H16Z HAL3 0.090000 1.0080 0 6656 DPE 56 DPPE N NH3L -0.300000 14.0070 0 6657 DPE 56 DPPE HN1 HCL 0.330000 1.0080 0 6658 DPE 56 DPPE HN2 HCL 0.330000 1.0080 0 6659 DPE 56 DPPE HN3 HCL 0.330000 1.0080 0 6660 DPE 56 DPPE C12 CTL2 0.130000 12.0110 0 6661 DPE 56 DPPE H12A HAL2 0.090000 1.0080 0 6662 DPE 56 DPPE H12B HAL2 0.090000 1.0080 0 6663 DPE 56 DPPE C11 CTL2 -0.080000 12.0110 0 6664 DPE 56 DPPE H11A HAL2 0.090000 1.0080 0 6665 DPE 56 DPPE H11B HAL2 0.090000 1.0080 0 6666 DPE 56 DPPE P PL 1.500000 30.9740 0 6667 DPE 56 DPPE O13 O2L -0.780000 15.9994 0 6668 DPE 56 DPPE O14 O2L -0.780000 15.9994 0 6669 DPE 56 DPPE O11 OSL -0.570000 15.9994 0 6670 DPE 56 DPPE O12 OSL -0.570000 15.9994 0 6671 DPE 56 DPPE C1 CTL2 -0.080000 12.0110 0 6672 DPE 56 DPPE HA HAL2 0.090000 1.0080 0 6673 DPE 56 DPPE HB HAL2 0.090000 1.0080 0 6674 DPE 56 DPPE C2 CTL1 0.040000 12.0110 0 6675 DPE 56 DPPE HS HAL1 0.090000 1.0080 0 6676 DPE 56 DPPE O21 OSL -0.340000 15.9994 0 6677 DPE 56 DPPE C21 CL 0.630000 12.0110 0 6678 DPE 56 DPPE O22 OBL -0.520000 15.9994 0 6679 DPE 56 DPPE C22 CTL2 -0.080000 12.0110 0 6680 DPE 56 DPPE H2R HAL2 0.090000 1.0080 0 6681 DPE 56 DPPE H2S HAL2 0.090000 1.0080 0 6682 DPE 56 DPPE C3 CTL2 -0.050000 12.0110 0 6683 DPE 56 DPPE HX HAL2 0.090000 1.0080 0 6684 DPE 56 DPPE HY HAL2 0.090000 1.0080 0 6685 DPE 56 DPPE O31 OSL -0.340000 15.9994 0 6686 DPE 56 DPPE C31 CL 0.630000 12.0110 0 6687 DPE 56 DPPE O32 OBL -0.520000 15.9994 0 6688 DPE 56 DPPE C32 CTL2 -0.080000 12.0110 0 6689 DPE 56 DPPE H2X HAL2 0.090000 1.0080 0 6690 DPE 56 DPPE H2Y HAL2 0.090000 1.0080 0 6691 DPE 56 DPPE C23 CTL2 -0.180000 12.0110 0 6692 DPE 56 DPPE H3R HAL2 0.090000 1.0080 0 6693 DPE 56 DPPE H3S HAL2 0.090000 1.0080 0 6694 DPE 56 DPPE C24 CTL2 -0.180000 12.0110 0 6695 DPE 56 DPPE H4R HAL2 0.090000 1.0080 0 6696 DPE 56 DPPE H4S HAL2 0.090000 1.0080 0 6697 DPE 56 DPPE C25 CTL2 -0.180000 12.0110 0 6698 DPE 56 DPPE H5R HAL2 0.090000 1.0080 0 6699 DPE 56 DPPE H5S HAL2 0.090000 1.0080 0 6700 DPE 56 DPPE C26 CTL2 -0.180000 12.0110 0 6701 DPE 56 DPPE H6R HAL2 0.090000 1.0080 0 6702 DPE 56 DPPE H6S HAL2 0.090000 1.0080 0 6703 DPE 56 DPPE C27 CTL2 -0.180000 12.0110 0 6704 DPE 56 DPPE H7R HAL2 0.090000 1.0080 0 6705 DPE 56 DPPE H7S HAL2 0.090000 1.0080 0 6706 DPE 56 DPPE C28 CTL2 -0.180000 12.0110 0 6707 DPE 56 DPPE H8R HAL2 0.090000 1.0080 0 6708 DPE 56 DPPE H8S HAL2 0.090000 1.0080 0 6709 DPE 56 DPPE C29 CTL2 -0.180000 12.0110 0 6710 DPE 56 DPPE H9R HAL2 0.090000 1.0080 0 6711 DPE 56 DPPE H9S HAL2 0.090000 1.0080 0 6712 DPE 56 DPPE C210 CTL2 -0.180000 12.0110 0 6713 DPE 56 DPPE H10R HAL2 0.090000 1.0080 0 6714 DPE 56 DPPE H10S HAL2 0.090000 1.0080 0 6715 DPE 56 DPPE C211 CTL2 -0.180000 12.0110 0 6716 DPE 56 DPPE H11R HAL2 0.090000 1.0080 0 6717 DPE 56 DPPE H11S HAL2 0.090000 1.0080 0 6718 DPE 56 DPPE C212 CTL2 -0.180000 12.0110 0 6719 DPE 56 DPPE H12R HAL2 0.090000 1.0080 0 6720 DPE 56 DPPE H12S HAL2 0.090000 1.0080 0 6721 DPE 56 DPPE C213 CTL2 -0.180000 12.0110 0 6722 DPE 56 DPPE H13R HAL2 0.090000 1.0080 0 6723 DPE 56 DPPE H13S HAL2 0.090000 1.0080 0 6724 DPE 56 DPPE C214 CTL2 -0.180000 12.0110 0 6725 DPE 56 DPPE H14R HAL2 0.090000 1.0080 0 6726 DPE 56 DPPE H14S HAL2 0.090000 1.0080 0 6727 DPE 56 DPPE C215 CTL2 -0.180000 12.0110 0 6728 DPE 56 DPPE H15R HAL2 0.090000 1.0080 0 6729 DPE 56 DPPE H15S HAL2 0.090000 1.0080 0 6730 DPE 56 DPPE C216 CTL3 -0.270000 12.0110 0 6731 DPE 56 DPPE H16R HAL3 0.090000 1.0080 0 6732 DPE 56 DPPE H16S HAL3 0.090000 1.0080 0 6733 DPE 56 DPPE H16T HAL3 0.090000 1.0080 0 6734 DPE 56 DPPE C33 CTL2 -0.180000 12.0110 0 6735 DPE 56 DPPE H3X HAL2 0.090000 1.0080 0 6736 DPE 56 DPPE H3Y HAL2 0.090000 1.0080 0 6737 DPE 56 DPPE C34 CTL2 -0.180000 12.0110 0 6738 DPE 56 DPPE H4X HAL2 0.090000 1.0080 0 6739 DPE 56 DPPE H4Y HAL2 0.090000 1.0080 0 6740 DPE 56 DPPE C35 CTL2 -0.180000 12.0110 0 6741 DPE 56 DPPE H5X HAL2 0.090000 1.0080 0 6742 DPE 56 DPPE H5Y HAL2 0.090000 1.0080 0 6743 DPE 56 DPPE C36 CTL2 -0.180000 12.0110 0 6744 DPE 56 DPPE H6X HAL2 0.090000 1.0080 0 6745 DPE 56 DPPE H6Y HAL2 0.090000 1.0080 0 6746 DPE 56 DPPE C37 CTL2 -0.180000 12.0110 0 6747 DPE 56 DPPE H7X HAL2 0.090000 1.0080 0 6748 DPE 56 DPPE H7Y HAL2 0.090000 1.0080 0 6749 DPE 56 DPPE C38 CTL2 -0.180000 12.0110 0 6750 DPE 56 DPPE H8X HAL2 0.090000 1.0080 0 6751 DPE 56 DPPE H8Y HAL2 0.090000 1.0080 0 6752 DPE 56 DPPE C39 CTL2 -0.180000 12.0110 0 6753 DPE 56 DPPE H9X HAL2 0.090000 1.0080 0 6754 DPE 56 DPPE H9Y HAL2 0.090000 1.0080 0 6755 DPE 56 DPPE C310 CTL2 -0.180000 12.0110 0 6756 DPE 56 DPPE H10X HAL2 0.090000 1.0080 0 6757 DPE 56 DPPE H10Y HAL2 0.090000 1.0080 0 6758 DPE 56 DPPE C311 CTL2 -0.180000 12.0110 0 6759 DPE 56 DPPE H11X HAL2 0.090000 1.0080 0 6760 DPE 56 DPPE H11Y HAL2 0.090000 1.0080 0 6761 DPE 56 DPPE C312 CTL2 -0.180000 12.0110 0 6762 DPE 56 DPPE H12X HAL2 0.090000 1.0080 0 6763 DPE 56 DPPE H12Y HAL2 0.090000 1.0080 0 6764 DPE 56 DPPE C313 CTL2 -0.180000 12.0110 0 6765 DPE 56 DPPE H13X HAL2 0.090000 1.0080 0 6766 DPE 56 DPPE H13Y HAL2 0.090000 1.0080 0 6767 DPE 56 DPPE C314 CTL2 -0.180000 12.0110 0 6768 DPE 56 DPPE H14X HAL2 0.090000 1.0080 0 6769 DPE 56 DPPE H14Y HAL2 0.090000 1.0080 0 6770 DPE 56 DPPE C315 CTL2 -0.180000 12.0110 0 6771 DPE 56 DPPE H15X HAL2 0.090000 1.0080 0 6772 DPE 56 DPPE H15Y HAL2 0.090000 1.0080 0 6773 DPE 56 DPPE C316 CTL3 -0.270000 12.0110 0 6774 DPE 56 DPPE H16X HAL3 0.090000 1.0080 0 6775 DPE 56 DPPE H16Y HAL3 0.090000 1.0080 0 6776 DPE 56 DPPE H16Z HAL3 0.090000 1.0080 0 6777 DPE 57 DPPE N NH3L -0.300000 14.0070 0 6778 DPE 57 DPPE HN1 HCL 0.330000 1.0080 0 6779 DPE 57 DPPE HN2 HCL 0.330000 1.0080 0 6780 DPE 57 DPPE HN3 HCL 0.330000 1.0080 0 6781 DPE 57 DPPE C12 CTL2 0.130000 12.0110 0 6782 DPE 57 DPPE H12A HAL2 0.090000 1.0080 0 6783 DPE 57 DPPE H12B HAL2 0.090000 1.0080 0 6784 DPE 57 DPPE C11 CTL2 -0.080000 12.0110 0 6785 DPE 57 DPPE H11A HAL2 0.090000 1.0080 0 6786 DPE 57 DPPE H11B HAL2 0.090000 1.0080 0 6787 DPE 57 DPPE P PL 1.500000 30.9740 0 6788 DPE 57 DPPE O13 O2L -0.780000 15.9994 0 6789 DPE 57 DPPE O14 O2L -0.780000 15.9994 0 6790 DPE 57 DPPE O11 OSL -0.570000 15.9994 0 6791 DPE 57 DPPE O12 OSL -0.570000 15.9994 0 6792 DPE 57 DPPE C1 CTL2 -0.080000 12.0110 0 6793 DPE 57 DPPE HA HAL2 0.090000 1.0080 0 6794 DPE 57 DPPE HB HAL2 0.090000 1.0080 0 6795 DPE 57 DPPE C2 CTL1 0.040000 12.0110 0 6796 DPE 57 DPPE HS HAL1 0.090000 1.0080 0 6797 DPE 57 DPPE O21 OSL -0.340000 15.9994 0 6798 DPE 57 DPPE C21 CL 0.630000 12.0110 0 6799 DPE 57 DPPE O22 OBL -0.520000 15.9994 0 6800 DPE 57 DPPE C22 CTL2 -0.080000 12.0110 0 6801 DPE 57 DPPE H2R HAL2 0.090000 1.0080 0 6802 DPE 57 DPPE H2S HAL2 0.090000 1.0080 0 6803 DPE 57 DPPE C3 CTL2 -0.050000 12.0110 0 6804 DPE 57 DPPE HX HAL2 0.090000 1.0080 0 6805 DPE 57 DPPE HY HAL2 0.090000 1.0080 0 6806 DPE 57 DPPE O31 OSL -0.340000 15.9994 0 6807 DPE 57 DPPE C31 CL 0.630000 12.0110 0 6808 DPE 57 DPPE O32 OBL -0.520000 15.9994 0 6809 DPE 57 DPPE C32 CTL2 -0.080000 12.0110 0 6810 DPE 57 DPPE H2X HAL2 0.090000 1.0080 0 6811 DPE 57 DPPE H2Y HAL2 0.090000 1.0080 0 6812 DPE 57 DPPE C23 CTL2 -0.180000 12.0110 0 6813 DPE 57 DPPE H3R HAL2 0.090000 1.0080 0 6814 DPE 57 DPPE H3S HAL2 0.090000 1.0080 0 6815 DPE 57 DPPE C24 CTL2 -0.180000 12.0110 0 6816 DPE 57 DPPE H4R HAL2 0.090000 1.0080 0 6817 DPE 57 DPPE H4S HAL2 0.090000 1.0080 0 6818 DPE 57 DPPE C25 CTL2 -0.180000 12.0110 0 6819 DPE 57 DPPE H5R HAL2 0.090000 1.0080 0 6820 DPE 57 DPPE H5S HAL2 0.090000 1.0080 0 6821 DPE 57 DPPE C26 CTL2 -0.180000 12.0110 0 6822 DPE 57 DPPE H6R HAL2 0.090000 1.0080 0 6823 DPE 57 DPPE H6S HAL2 0.090000 1.0080 0 6824 DPE 57 DPPE C27 CTL2 -0.180000 12.0110 0 6825 DPE 57 DPPE H7R HAL2 0.090000 1.0080 0 6826 DPE 57 DPPE H7S HAL2 0.090000 1.0080 0 6827 DPE 57 DPPE C28 CTL2 -0.180000 12.0110 0 6828 DPE 57 DPPE H8R HAL2 0.090000 1.0080 0 6829 DPE 57 DPPE H8S HAL2 0.090000 1.0080 0 6830 DPE 57 DPPE C29 CTL2 -0.180000 12.0110 0 6831 DPE 57 DPPE H9R HAL2 0.090000 1.0080 0 6832 DPE 57 DPPE H9S HAL2 0.090000 1.0080 0 6833 DPE 57 DPPE C210 CTL2 -0.180000 12.0110 0 6834 DPE 57 DPPE H10R HAL2 0.090000 1.0080 0 6835 DPE 57 DPPE H10S HAL2 0.090000 1.0080 0 6836 DPE 57 DPPE C211 CTL2 -0.180000 12.0110 0 6837 DPE 57 DPPE H11R HAL2 0.090000 1.0080 0 6838 DPE 57 DPPE H11S HAL2 0.090000 1.0080 0 6839 DPE 57 DPPE C212 CTL2 -0.180000 12.0110 0 6840 DPE 57 DPPE H12R HAL2 0.090000 1.0080 0 6841 DPE 57 DPPE H12S HAL2 0.090000 1.0080 0 6842 DPE 57 DPPE C213 CTL2 -0.180000 12.0110 0 6843 DPE 57 DPPE H13R HAL2 0.090000 1.0080 0 6844 DPE 57 DPPE H13S HAL2 0.090000 1.0080 0 6845 DPE 57 DPPE C214 CTL2 -0.180000 12.0110 0 6846 DPE 57 DPPE H14R HAL2 0.090000 1.0080 0 6847 DPE 57 DPPE H14S HAL2 0.090000 1.0080 0 6848 DPE 57 DPPE C215 CTL2 -0.180000 12.0110 0 6849 DPE 57 DPPE H15R HAL2 0.090000 1.0080 0 6850 DPE 57 DPPE H15S HAL2 0.090000 1.0080 0 6851 DPE 57 DPPE C216 CTL3 -0.270000 12.0110 0 6852 DPE 57 DPPE H16R HAL3 0.090000 1.0080 0 6853 DPE 57 DPPE H16S HAL3 0.090000 1.0080 0 6854 DPE 57 DPPE H16T HAL3 0.090000 1.0080 0 6855 DPE 57 DPPE C33 CTL2 -0.180000 12.0110 0 6856 DPE 57 DPPE H3X HAL2 0.090000 1.0080 0 6857 DPE 57 DPPE H3Y HAL2 0.090000 1.0080 0 6858 DPE 57 DPPE C34 CTL2 -0.180000 12.0110 0 6859 DPE 57 DPPE H4X HAL2 0.090000 1.0080 0 6860 DPE 57 DPPE H4Y HAL2 0.090000 1.0080 0 6861 DPE 57 DPPE C35 CTL2 -0.180000 12.0110 0 6862 DPE 57 DPPE H5X HAL2 0.090000 1.0080 0 6863 DPE 57 DPPE H5Y HAL2 0.090000 1.0080 0 6864 DPE 57 DPPE C36 CTL2 -0.180000 12.0110 0 6865 DPE 57 DPPE H6X HAL2 0.090000 1.0080 0 6866 DPE 57 DPPE H6Y HAL2 0.090000 1.0080 0 6867 DPE 57 DPPE C37 CTL2 -0.180000 12.0110 0 6868 DPE 57 DPPE H7X HAL2 0.090000 1.0080 0 6869 DPE 57 DPPE H7Y HAL2 0.090000 1.0080 0 6870 DPE 57 DPPE C38 CTL2 -0.180000 12.0110 0 6871 DPE 57 DPPE H8X HAL2 0.090000 1.0080 0 6872 DPE 57 DPPE H8Y HAL2 0.090000 1.0080 0 6873 DPE 57 DPPE C39 CTL2 -0.180000 12.0110 0 6874 DPE 57 DPPE H9X HAL2 0.090000 1.0080 0 6875 DPE 57 DPPE H9Y HAL2 0.090000 1.0080 0 6876 DPE 57 DPPE C310 CTL2 -0.180000 12.0110 0 6877 DPE 57 DPPE H10X HAL2 0.090000 1.0080 0 6878 DPE 57 DPPE H10Y HAL2 0.090000 1.0080 0 6879 DPE 57 DPPE C311 CTL2 -0.180000 12.0110 0 6880 DPE 57 DPPE H11X HAL2 0.090000 1.0080 0 6881 DPE 57 DPPE H11Y HAL2 0.090000 1.0080 0 6882 DPE 57 DPPE C312 CTL2 -0.180000 12.0110 0 6883 DPE 57 DPPE H12X HAL2 0.090000 1.0080 0 6884 DPE 57 DPPE H12Y HAL2 0.090000 1.0080 0 6885 DPE 57 DPPE C313 CTL2 -0.180000 12.0110 0 6886 DPE 57 DPPE H13X HAL2 0.090000 1.0080 0 6887 DPE 57 DPPE H13Y HAL2 0.090000 1.0080 0 6888 DPE 57 DPPE C314 CTL2 -0.180000 12.0110 0 6889 DPE 57 DPPE H14X HAL2 0.090000 1.0080 0 6890 DPE 57 DPPE H14Y HAL2 0.090000 1.0080 0 6891 DPE 57 DPPE C315 CTL2 -0.180000 12.0110 0 6892 DPE 57 DPPE H15X HAL2 0.090000 1.0080 0 6893 DPE 57 DPPE H15Y HAL2 0.090000 1.0080 0 6894 DPE 57 DPPE C316 CTL3 -0.270000 12.0110 0 6895 DPE 57 DPPE H16X HAL3 0.090000 1.0080 0 6896 DPE 57 DPPE H16Y HAL3 0.090000 1.0080 0 6897 DPE 57 DPPE H16Z HAL3 0.090000 1.0080 0 6898 DPE 58 DPPE N NH3L -0.300000 14.0070 0 6899 DPE 58 DPPE HN1 HCL 0.330000 1.0080 0 6900 DPE 58 DPPE HN2 HCL 0.330000 1.0080 0 6901 DPE 58 DPPE HN3 HCL 0.330000 1.0080 0 6902 DPE 58 DPPE C12 CTL2 0.130000 12.0110 0 6903 DPE 58 DPPE H12A HAL2 0.090000 1.0080 0 6904 DPE 58 DPPE H12B HAL2 0.090000 1.0080 0 6905 DPE 58 DPPE C11 CTL2 -0.080000 12.0110 0 6906 DPE 58 DPPE H11A HAL2 0.090000 1.0080 0 6907 DPE 58 DPPE H11B HAL2 0.090000 1.0080 0 6908 DPE 58 DPPE P PL 1.500000 30.9740 0 6909 DPE 58 DPPE O13 O2L -0.780000 15.9994 0 6910 DPE 58 DPPE O14 O2L -0.780000 15.9994 0 6911 DPE 58 DPPE O11 OSL -0.570000 15.9994 0 6912 DPE 58 DPPE O12 OSL -0.570000 15.9994 0 6913 DPE 58 DPPE C1 CTL2 -0.080000 12.0110 0 6914 DPE 58 DPPE HA HAL2 0.090000 1.0080 0 6915 DPE 58 DPPE HB HAL2 0.090000 1.0080 0 6916 DPE 58 DPPE C2 CTL1 0.040000 12.0110 0 6917 DPE 58 DPPE HS HAL1 0.090000 1.0080 0 6918 DPE 58 DPPE O21 OSL -0.340000 15.9994 0 6919 DPE 58 DPPE C21 CL 0.630000 12.0110 0 6920 DPE 58 DPPE O22 OBL -0.520000 15.9994 0 6921 DPE 58 DPPE C22 CTL2 -0.080000 12.0110 0 6922 DPE 58 DPPE H2R HAL2 0.090000 1.0080 0 6923 DPE 58 DPPE H2S HAL2 0.090000 1.0080 0 6924 DPE 58 DPPE C3 CTL2 -0.050000 12.0110 0 6925 DPE 58 DPPE HX HAL2 0.090000 1.0080 0 6926 DPE 58 DPPE HY HAL2 0.090000 1.0080 0 6927 DPE 58 DPPE O31 OSL -0.340000 15.9994 0 6928 DPE 58 DPPE C31 CL 0.630000 12.0110 0 6929 DPE 58 DPPE O32 OBL -0.520000 15.9994 0 6930 DPE 58 DPPE C32 CTL2 -0.080000 12.0110 0 6931 DPE 58 DPPE H2X HAL2 0.090000 1.0080 0 6932 DPE 58 DPPE H2Y HAL2 0.090000 1.0080 0 6933 DPE 58 DPPE C23 CTL2 -0.180000 12.0110 0 6934 DPE 58 DPPE H3R HAL2 0.090000 1.0080 0 6935 DPE 58 DPPE H3S HAL2 0.090000 1.0080 0 6936 DPE 58 DPPE C24 CTL2 -0.180000 12.0110 0 6937 DPE 58 DPPE H4R HAL2 0.090000 1.0080 0 6938 DPE 58 DPPE H4S HAL2 0.090000 1.0080 0 6939 DPE 58 DPPE C25 CTL2 -0.180000 12.0110 0 6940 DPE 58 DPPE H5R HAL2 0.090000 1.0080 0 6941 DPE 58 DPPE H5S HAL2 0.090000 1.0080 0 6942 DPE 58 DPPE C26 CTL2 -0.180000 12.0110 0 6943 DPE 58 DPPE H6R HAL2 0.090000 1.0080 0 6944 DPE 58 DPPE H6S HAL2 0.090000 1.0080 0 6945 DPE 58 DPPE C27 CTL2 -0.180000 12.0110 0 6946 DPE 58 DPPE H7R HAL2 0.090000 1.0080 0 6947 DPE 58 DPPE H7S HAL2 0.090000 1.0080 0 6948 DPE 58 DPPE C28 CTL2 -0.180000 12.0110 0 6949 DPE 58 DPPE H8R HAL2 0.090000 1.0080 0 6950 DPE 58 DPPE H8S HAL2 0.090000 1.0080 0 6951 DPE 58 DPPE C29 CTL2 -0.180000 12.0110 0 6952 DPE 58 DPPE H9R HAL2 0.090000 1.0080 0 6953 DPE 58 DPPE H9S HAL2 0.090000 1.0080 0 6954 DPE 58 DPPE C210 CTL2 -0.180000 12.0110 0 6955 DPE 58 DPPE H10R HAL2 0.090000 1.0080 0 6956 DPE 58 DPPE H10S HAL2 0.090000 1.0080 0 6957 DPE 58 DPPE C211 CTL2 -0.180000 12.0110 0 6958 DPE 58 DPPE H11R HAL2 0.090000 1.0080 0 6959 DPE 58 DPPE H11S HAL2 0.090000 1.0080 0 6960 DPE 58 DPPE C212 CTL2 -0.180000 12.0110 0 6961 DPE 58 DPPE H12R HAL2 0.090000 1.0080 0 6962 DPE 58 DPPE H12S HAL2 0.090000 1.0080 0 6963 DPE 58 DPPE C213 CTL2 -0.180000 12.0110 0 6964 DPE 58 DPPE H13R HAL2 0.090000 1.0080 0 6965 DPE 58 DPPE H13S HAL2 0.090000 1.0080 0 6966 DPE 58 DPPE C214 CTL2 -0.180000 12.0110 0 6967 DPE 58 DPPE H14R HAL2 0.090000 1.0080 0 6968 DPE 58 DPPE H14S HAL2 0.090000 1.0080 0 6969 DPE 58 DPPE C215 CTL2 -0.180000 12.0110 0 6970 DPE 58 DPPE H15R HAL2 0.090000 1.0080 0 6971 DPE 58 DPPE H15S HAL2 0.090000 1.0080 0 6972 DPE 58 DPPE C216 CTL3 -0.270000 12.0110 0 6973 DPE 58 DPPE H16R HAL3 0.090000 1.0080 0 6974 DPE 58 DPPE H16S HAL3 0.090000 1.0080 0 6975 DPE 58 DPPE H16T HAL3 0.090000 1.0080 0 6976 DPE 58 DPPE C33 CTL2 -0.180000 12.0110 0 6977 DPE 58 DPPE H3X HAL2 0.090000 1.0080 0 6978 DPE 58 DPPE H3Y HAL2 0.090000 1.0080 0 6979 DPE 58 DPPE C34 CTL2 -0.180000 12.0110 0 6980 DPE 58 DPPE H4X HAL2 0.090000 1.0080 0 6981 DPE 58 DPPE H4Y HAL2 0.090000 1.0080 0 6982 DPE 58 DPPE C35 CTL2 -0.180000 12.0110 0 6983 DPE 58 DPPE H5X HAL2 0.090000 1.0080 0 6984 DPE 58 DPPE H5Y HAL2 0.090000 1.0080 0 6985 DPE 58 DPPE C36 CTL2 -0.180000 12.0110 0 6986 DPE 58 DPPE H6X HAL2 0.090000 1.0080 0 6987 DPE 58 DPPE H6Y HAL2 0.090000 1.0080 0 6988 DPE 58 DPPE C37 CTL2 -0.180000 12.0110 0 6989 DPE 58 DPPE H7X HAL2 0.090000 1.0080 0 6990 DPE 58 DPPE H7Y HAL2 0.090000 1.0080 0 6991 DPE 58 DPPE C38 CTL2 -0.180000 12.0110 0 6992 DPE 58 DPPE H8X HAL2 0.090000 1.0080 0 6993 DPE 58 DPPE H8Y HAL2 0.090000 1.0080 0 6994 DPE 58 DPPE C39 CTL2 -0.180000 12.0110 0 6995 DPE 58 DPPE H9X HAL2 0.090000 1.0080 0 6996 DPE 58 DPPE H9Y HAL2 0.090000 1.0080 0 6997 DPE 58 DPPE C310 CTL2 -0.180000 12.0110 0 6998 DPE 58 DPPE H10X HAL2 0.090000 1.0080 0 6999 DPE 58 DPPE H10Y HAL2 0.090000 1.0080 0 7000 DPE 58 DPPE C311 CTL2 -0.180000 12.0110 0 7001 DPE 58 DPPE H11X HAL2 0.090000 1.0080 0 7002 DPE 58 DPPE H11Y HAL2 0.090000 1.0080 0 7003 DPE 58 DPPE C312 CTL2 -0.180000 12.0110 0 7004 DPE 58 DPPE H12X HAL2 0.090000 1.0080 0 7005 DPE 58 DPPE H12Y HAL2 0.090000 1.0080 0 7006 DPE 58 DPPE C313 CTL2 -0.180000 12.0110 0 7007 DPE 58 DPPE H13X HAL2 0.090000 1.0080 0 7008 DPE 58 DPPE H13Y HAL2 0.090000 1.0080 0 7009 DPE 58 DPPE C314 CTL2 -0.180000 12.0110 0 7010 DPE 58 DPPE H14X HAL2 0.090000 1.0080 0 7011 DPE 58 DPPE H14Y HAL2 0.090000 1.0080 0 7012 DPE 58 DPPE C315 CTL2 -0.180000 12.0110 0 7013 DPE 58 DPPE H15X HAL2 0.090000 1.0080 0 7014 DPE 58 DPPE H15Y HAL2 0.090000 1.0080 0 7015 DPE 58 DPPE C316 CTL3 -0.270000 12.0110 0 7016 DPE 58 DPPE H16X HAL3 0.090000 1.0080 0 7017 DPE 58 DPPE H16Y HAL3 0.090000 1.0080 0 7018 DPE 58 DPPE H16Z HAL3 0.090000 1.0080 0 7019 DPE 59 DPPE N NH3L -0.300000 14.0070 0 7020 DPE 59 DPPE HN1 HCL 0.330000 1.0080 0 7021 DPE 59 DPPE HN2 HCL 0.330000 1.0080 0 7022 DPE 59 DPPE HN3 HCL 0.330000 1.0080 0 7023 DPE 59 DPPE C12 CTL2 0.130000 12.0110 0 7024 DPE 59 DPPE H12A HAL2 0.090000 1.0080 0 7025 DPE 59 DPPE H12B HAL2 0.090000 1.0080 0 7026 DPE 59 DPPE C11 CTL2 -0.080000 12.0110 0 7027 DPE 59 DPPE H11A HAL2 0.090000 1.0080 0 7028 DPE 59 DPPE H11B HAL2 0.090000 1.0080 0 7029 DPE 59 DPPE P PL 1.500000 30.9740 0 7030 DPE 59 DPPE O13 O2L -0.780000 15.9994 0 7031 DPE 59 DPPE O14 O2L -0.780000 15.9994 0 7032 DPE 59 DPPE O11 OSL -0.570000 15.9994 0 7033 DPE 59 DPPE O12 OSL -0.570000 15.9994 0 7034 DPE 59 DPPE C1 CTL2 -0.080000 12.0110 0 7035 DPE 59 DPPE HA HAL2 0.090000 1.0080 0 7036 DPE 59 DPPE HB HAL2 0.090000 1.0080 0 7037 DPE 59 DPPE C2 CTL1 0.040000 12.0110 0 7038 DPE 59 DPPE HS HAL1 0.090000 1.0080 0 7039 DPE 59 DPPE O21 OSL -0.340000 15.9994 0 7040 DPE 59 DPPE C21 CL 0.630000 12.0110 0 7041 DPE 59 DPPE O22 OBL -0.520000 15.9994 0 7042 DPE 59 DPPE C22 CTL2 -0.080000 12.0110 0 7043 DPE 59 DPPE H2R HAL2 0.090000 1.0080 0 7044 DPE 59 DPPE H2S HAL2 0.090000 1.0080 0 7045 DPE 59 DPPE C3 CTL2 -0.050000 12.0110 0 7046 DPE 59 DPPE HX HAL2 0.090000 1.0080 0 7047 DPE 59 DPPE HY HAL2 0.090000 1.0080 0 7048 DPE 59 DPPE O31 OSL -0.340000 15.9994 0 7049 DPE 59 DPPE C31 CL 0.630000 12.0110 0 7050 DPE 59 DPPE O32 OBL -0.520000 15.9994 0 7051 DPE 59 DPPE C32 CTL2 -0.080000 12.0110 0 7052 DPE 59 DPPE H2X HAL2 0.090000 1.0080 0 7053 DPE 59 DPPE H2Y HAL2 0.090000 1.0080 0 7054 DPE 59 DPPE C23 CTL2 -0.180000 12.0110 0 7055 DPE 59 DPPE H3R HAL2 0.090000 1.0080 0 7056 DPE 59 DPPE H3S HAL2 0.090000 1.0080 0 7057 DPE 59 DPPE C24 CTL2 -0.180000 12.0110 0 7058 DPE 59 DPPE H4R HAL2 0.090000 1.0080 0 7059 DPE 59 DPPE H4S HAL2 0.090000 1.0080 0 7060 DPE 59 DPPE C25 CTL2 -0.180000 12.0110 0 7061 DPE 59 DPPE H5R HAL2 0.090000 1.0080 0 7062 DPE 59 DPPE H5S HAL2 0.090000 1.0080 0 7063 DPE 59 DPPE C26 CTL2 -0.180000 12.0110 0 7064 DPE 59 DPPE H6R HAL2 0.090000 1.0080 0 7065 DPE 59 DPPE H6S HAL2 0.090000 1.0080 0 7066 DPE 59 DPPE C27 CTL2 -0.180000 12.0110 0 7067 DPE 59 DPPE H7R HAL2 0.090000 1.0080 0 7068 DPE 59 DPPE H7S HAL2 0.090000 1.0080 0 7069 DPE 59 DPPE C28 CTL2 -0.180000 12.0110 0 7070 DPE 59 DPPE H8R HAL2 0.090000 1.0080 0 7071 DPE 59 DPPE H8S HAL2 0.090000 1.0080 0 7072 DPE 59 DPPE C29 CTL2 -0.180000 12.0110 0 7073 DPE 59 DPPE H9R HAL2 0.090000 1.0080 0 7074 DPE 59 DPPE H9S HAL2 0.090000 1.0080 0 7075 DPE 59 DPPE C210 CTL2 -0.180000 12.0110 0 7076 DPE 59 DPPE H10R HAL2 0.090000 1.0080 0 7077 DPE 59 DPPE H10S HAL2 0.090000 1.0080 0 7078 DPE 59 DPPE C211 CTL2 -0.180000 12.0110 0 7079 DPE 59 DPPE H11R HAL2 0.090000 1.0080 0 7080 DPE 59 DPPE H11S HAL2 0.090000 1.0080 0 7081 DPE 59 DPPE C212 CTL2 -0.180000 12.0110 0 7082 DPE 59 DPPE H12R HAL2 0.090000 1.0080 0 7083 DPE 59 DPPE H12S HAL2 0.090000 1.0080 0 7084 DPE 59 DPPE C213 CTL2 -0.180000 12.0110 0 7085 DPE 59 DPPE H13R HAL2 0.090000 1.0080 0 7086 DPE 59 DPPE H13S HAL2 0.090000 1.0080 0 7087 DPE 59 DPPE C214 CTL2 -0.180000 12.0110 0 7088 DPE 59 DPPE H14R HAL2 0.090000 1.0080 0 7089 DPE 59 DPPE H14S HAL2 0.090000 1.0080 0 7090 DPE 59 DPPE C215 CTL2 -0.180000 12.0110 0 7091 DPE 59 DPPE H15R HAL2 0.090000 1.0080 0 7092 DPE 59 DPPE H15S HAL2 0.090000 1.0080 0 7093 DPE 59 DPPE C216 CTL3 -0.270000 12.0110 0 7094 DPE 59 DPPE H16R HAL3 0.090000 1.0080 0 7095 DPE 59 DPPE H16S HAL3 0.090000 1.0080 0 7096 DPE 59 DPPE H16T HAL3 0.090000 1.0080 0 7097 DPE 59 DPPE C33 CTL2 -0.180000 12.0110 0 7098 DPE 59 DPPE H3X HAL2 0.090000 1.0080 0 7099 DPE 59 DPPE H3Y HAL2 0.090000 1.0080 0 7100 DPE 59 DPPE C34 CTL2 -0.180000 12.0110 0 7101 DPE 59 DPPE H4X HAL2 0.090000 1.0080 0 7102 DPE 59 DPPE H4Y HAL2 0.090000 1.0080 0 7103 DPE 59 DPPE C35 CTL2 -0.180000 12.0110 0 7104 DPE 59 DPPE H5X HAL2 0.090000 1.0080 0 7105 DPE 59 DPPE H5Y HAL2 0.090000 1.0080 0 7106 DPE 59 DPPE C36 CTL2 -0.180000 12.0110 0 7107 DPE 59 DPPE H6X HAL2 0.090000 1.0080 0 7108 DPE 59 DPPE H6Y HAL2 0.090000 1.0080 0 7109 DPE 59 DPPE C37 CTL2 -0.180000 12.0110 0 7110 DPE 59 DPPE H7X HAL2 0.090000 1.0080 0 7111 DPE 59 DPPE H7Y HAL2 0.090000 1.0080 0 7112 DPE 59 DPPE C38 CTL2 -0.180000 12.0110 0 7113 DPE 59 DPPE H8X HAL2 0.090000 1.0080 0 7114 DPE 59 DPPE H8Y HAL2 0.090000 1.0080 0 7115 DPE 59 DPPE C39 CTL2 -0.180000 12.0110 0 7116 DPE 59 DPPE H9X HAL2 0.090000 1.0080 0 7117 DPE 59 DPPE H9Y HAL2 0.090000 1.0080 0 7118 DPE 59 DPPE C310 CTL2 -0.180000 12.0110 0 7119 DPE 59 DPPE H10X HAL2 0.090000 1.0080 0 7120 DPE 59 DPPE H10Y HAL2 0.090000 1.0080 0 7121 DPE 59 DPPE C311 CTL2 -0.180000 12.0110 0 7122 DPE 59 DPPE H11X HAL2 0.090000 1.0080 0 7123 DPE 59 DPPE H11Y HAL2 0.090000 1.0080 0 7124 DPE 59 DPPE C312 CTL2 -0.180000 12.0110 0 7125 DPE 59 DPPE H12X HAL2 0.090000 1.0080 0 7126 DPE 59 DPPE H12Y HAL2 0.090000 1.0080 0 7127 DPE 59 DPPE C313 CTL2 -0.180000 12.0110 0 7128 DPE 59 DPPE H13X HAL2 0.090000 1.0080 0 7129 DPE 59 DPPE H13Y HAL2 0.090000 1.0080 0 7130 DPE 59 DPPE C314 CTL2 -0.180000 12.0110 0 7131 DPE 59 DPPE H14X HAL2 0.090000 1.0080 0 7132 DPE 59 DPPE H14Y HAL2 0.090000 1.0080 0 7133 DPE 59 DPPE C315 CTL2 -0.180000 12.0110 0 7134 DPE 59 DPPE H15X HAL2 0.090000 1.0080 0 7135 DPE 59 DPPE H15Y HAL2 0.090000 1.0080 0 7136 DPE 59 DPPE C316 CTL3 -0.270000 12.0110 0 7137 DPE 59 DPPE H16X HAL3 0.090000 1.0080 0 7138 DPE 59 DPPE H16Y HAL3 0.090000 1.0080 0 7139 DPE 59 DPPE H16Z HAL3 0.090000 1.0080 0 7140 DPE 60 DPPE N NH3L -0.300000 14.0070 0 7141 DPE 60 DPPE HN1 HCL 0.330000 1.0080 0 7142 DPE 60 DPPE HN2 HCL 0.330000 1.0080 0 7143 DPE 60 DPPE HN3 HCL 0.330000 1.0080 0 7144 DPE 60 DPPE C12 CTL2 0.130000 12.0110 0 7145 DPE 60 DPPE H12A HAL2 0.090000 1.0080 0 7146 DPE 60 DPPE H12B HAL2 0.090000 1.0080 0 7147 DPE 60 DPPE C11 CTL2 -0.080000 12.0110 0 7148 DPE 60 DPPE H11A HAL2 0.090000 1.0080 0 7149 DPE 60 DPPE H11B HAL2 0.090000 1.0080 0 7150 DPE 60 DPPE P PL 1.500000 30.9740 0 7151 DPE 60 DPPE O13 O2L -0.780000 15.9994 0 7152 DPE 60 DPPE O14 O2L -0.780000 15.9994 0 7153 DPE 60 DPPE O11 OSL -0.570000 15.9994 0 7154 DPE 60 DPPE O12 OSL -0.570000 15.9994 0 7155 DPE 60 DPPE C1 CTL2 -0.080000 12.0110 0 7156 DPE 60 DPPE HA HAL2 0.090000 1.0080 0 7157 DPE 60 DPPE HB HAL2 0.090000 1.0080 0 7158 DPE 60 DPPE C2 CTL1 0.040000 12.0110 0 7159 DPE 60 DPPE HS HAL1 0.090000 1.0080 0 7160 DPE 60 DPPE O21 OSL -0.340000 15.9994 0 7161 DPE 60 DPPE C21 CL 0.630000 12.0110 0 7162 DPE 60 DPPE O22 OBL -0.520000 15.9994 0 7163 DPE 60 DPPE C22 CTL2 -0.080000 12.0110 0 7164 DPE 60 DPPE H2R HAL2 0.090000 1.0080 0 7165 DPE 60 DPPE H2S HAL2 0.090000 1.0080 0 7166 DPE 60 DPPE C3 CTL2 -0.050000 12.0110 0 7167 DPE 60 DPPE HX HAL2 0.090000 1.0080 0 7168 DPE 60 DPPE HY HAL2 0.090000 1.0080 0 7169 DPE 60 DPPE O31 OSL -0.340000 15.9994 0 7170 DPE 60 DPPE C31 CL 0.630000 12.0110 0 7171 DPE 60 DPPE O32 OBL -0.520000 15.9994 0 7172 DPE 60 DPPE C32 CTL2 -0.080000 12.0110 0 7173 DPE 60 DPPE H2X HAL2 0.090000 1.0080 0 7174 DPE 60 DPPE H2Y HAL2 0.090000 1.0080 0 7175 DPE 60 DPPE C23 CTL2 -0.180000 12.0110 0 7176 DPE 60 DPPE H3R HAL2 0.090000 1.0080 0 7177 DPE 60 DPPE H3S HAL2 0.090000 1.0080 0 7178 DPE 60 DPPE C24 CTL2 -0.180000 12.0110 0 7179 DPE 60 DPPE H4R HAL2 0.090000 1.0080 0 7180 DPE 60 DPPE H4S HAL2 0.090000 1.0080 0 7181 DPE 60 DPPE C25 CTL2 -0.180000 12.0110 0 7182 DPE 60 DPPE H5R HAL2 0.090000 1.0080 0 7183 DPE 60 DPPE H5S HAL2 0.090000 1.0080 0 7184 DPE 60 DPPE C26 CTL2 -0.180000 12.0110 0 7185 DPE 60 DPPE H6R HAL2 0.090000 1.0080 0 7186 DPE 60 DPPE H6S HAL2 0.090000 1.0080 0 7187 DPE 60 DPPE C27 CTL2 -0.180000 12.0110 0 7188 DPE 60 DPPE H7R HAL2 0.090000 1.0080 0 7189 DPE 60 DPPE H7S HAL2 0.090000 1.0080 0 7190 DPE 60 DPPE C28 CTL2 -0.180000 12.0110 0 7191 DPE 60 DPPE H8R HAL2 0.090000 1.0080 0 7192 DPE 60 DPPE H8S HAL2 0.090000 1.0080 0 7193 DPE 60 DPPE C29 CTL2 -0.180000 12.0110 0 7194 DPE 60 DPPE H9R HAL2 0.090000 1.0080 0 7195 DPE 60 DPPE H9S HAL2 0.090000 1.0080 0 7196 DPE 60 DPPE C210 CTL2 -0.180000 12.0110 0 7197 DPE 60 DPPE H10R HAL2 0.090000 1.0080 0 7198 DPE 60 DPPE H10S HAL2 0.090000 1.0080 0 7199 DPE 60 DPPE C211 CTL2 -0.180000 12.0110 0 7200 DPE 60 DPPE H11R HAL2 0.090000 1.0080 0 7201 DPE 60 DPPE H11S HAL2 0.090000 1.0080 0 7202 DPE 60 DPPE C212 CTL2 -0.180000 12.0110 0 7203 DPE 60 DPPE H12R HAL2 0.090000 1.0080 0 7204 DPE 60 DPPE H12S HAL2 0.090000 1.0080 0 7205 DPE 60 DPPE C213 CTL2 -0.180000 12.0110 0 7206 DPE 60 DPPE H13R HAL2 0.090000 1.0080 0 7207 DPE 60 DPPE H13S HAL2 0.090000 1.0080 0 7208 DPE 60 DPPE C214 CTL2 -0.180000 12.0110 0 7209 DPE 60 DPPE H14R HAL2 0.090000 1.0080 0 7210 DPE 60 DPPE H14S HAL2 0.090000 1.0080 0 7211 DPE 60 DPPE C215 CTL2 -0.180000 12.0110 0 7212 DPE 60 DPPE H15R HAL2 0.090000 1.0080 0 7213 DPE 60 DPPE H15S HAL2 0.090000 1.0080 0 7214 DPE 60 DPPE C216 CTL3 -0.270000 12.0110 0 7215 DPE 60 DPPE H16R HAL3 0.090000 1.0080 0 7216 DPE 60 DPPE H16S HAL3 0.090000 1.0080 0 7217 DPE 60 DPPE H16T HAL3 0.090000 1.0080 0 7218 DPE 60 DPPE C33 CTL2 -0.180000 12.0110 0 7219 DPE 60 DPPE H3X HAL2 0.090000 1.0080 0 7220 DPE 60 DPPE H3Y HAL2 0.090000 1.0080 0 7221 DPE 60 DPPE C34 CTL2 -0.180000 12.0110 0 7222 DPE 60 DPPE H4X HAL2 0.090000 1.0080 0 7223 DPE 60 DPPE H4Y HAL2 0.090000 1.0080 0 7224 DPE 60 DPPE C35 CTL2 -0.180000 12.0110 0 7225 DPE 60 DPPE H5X HAL2 0.090000 1.0080 0 7226 DPE 60 DPPE H5Y HAL2 0.090000 1.0080 0 7227 DPE 60 DPPE C36 CTL2 -0.180000 12.0110 0 7228 DPE 60 DPPE H6X HAL2 0.090000 1.0080 0 7229 DPE 60 DPPE H6Y HAL2 0.090000 1.0080 0 7230 DPE 60 DPPE C37 CTL2 -0.180000 12.0110 0 7231 DPE 60 DPPE H7X HAL2 0.090000 1.0080 0 7232 DPE 60 DPPE H7Y HAL2 0.090000 1.0080 0 7233 DPE 60 DPPE C38 CTL2 -0.180000 12.0110 0 7234 DPE 60 DPPE H8X HAL2 0.090000 1.0080 0 7235 DPE 60 DPPE H8Y HAL2 0.090000 1.0080 0 7236 DPE 60 DPPE C39 CTL2 -0.180000 12.0110 0 7237 DPE 60 DPPE H9X HAL2 0.090000 1.0080 0 7238 DPE 60 DPPE H9Y HAL2 0.090000 1.0080 0 7239 DPE 60 DPPE C310 CTL2 -0.180000 12.0110 0 7240 DPE 60 DPPE H10X HAL2 0.090000 1.0080 0 7241 DPE 60 DPPE H10Y HAL2 0.090000 1.0080 0 7242 DPE 60 DPPE C311 CTL2 -0.180000 12.0110 0 7243 DPE 60 DPPE H11X HAL2 0.090000 1.0080 0 7244 DPE 60 DPPE H11Y HAL2 0.090000 1.0080 0 7245 DPE 60 DPPE C312 CTL2 -0.180000 12.0110 0 7246 DPE 60 DPPE H12X HAL2 0.090000 1.0080 0 7247 DPE 60 DPPE H12Y HAL2 0.090000 1.0080 0 7248 DPE 60 DPPE C313 CTL2 -0.180000 12.0110 0 7249 DPE 60 DPPE H13X HAL2 0.090000 1.0080 0 7250 DPE 60 DPPE H13Y HAL2 0.090000 1.0080 0 7251 DPE 60 DPPE C314 CTL2 -0.180000 12.0110 0 7252 DPE 60 DPPE H14X HAL2 0.090000 1.0080 0 7253 DPE 60 DPPE H14Y HAL2 0.090000 1.0080 0 7254 DPE 60 DPPE C315 CTL2 -0.180000 12.0110 0 7255 DPE 60 DPPE H15X HAL2 0.090000 1.0080 0 7256 DPE 60 DPPE H15Y HAL2 0.090000 1.0080 0 7257 DPE 60 DPPE C316 CTL3 -0.270000 12.0110 0 7258 DPE 60 DPPE H16X HAL3 0.090000 1.0080 0 7259 DPE 60 DPPE H16Y HAL3 0.090000 1.0080 0 7260 DPE 60 DPPE H16Z HAL3 0.090000 1.0080 0 7261 DPE 61 DPPE N NH3L -0.300000 14.0070 0 7262 DPE 61 DPPE HN1 HCL 0.330000 1.0080 0 7263 DPE 61 DPPE HN2 HCL 0.330000 1.0080 0 7264 DPE 61 DPPE HN3 HCL 0.330000 1.0080 0 7265 DPE 61 DPPE C12 CTL2 0.130000 12.0110 0 7266 DPE 61 DPPE H12A HAL2 0.090000 1.0080 0 7267 DPE 61 DPPE H12B HAL2 0.090000 1.0080 0 7268 DPE 61 DPPE C11 CTL2 -0.080000 12.0110 0 7269 DPE 61 DPPE H11A HAL2 0.090000 1.0080 0 7270 DPE 61 DPPE H11B HAL2 0.090000 1.0080 0 7271 DPE 61 DPPE P PL 1.500000 30.9740 0 7272 DPE 61 DPPE O13 O2L -0.780000 15.9994 0 7273 DPE 61 DPPE O14 O2L -0.780000 15.9994 0 7274 DPE 61 DPPE O11 OSL -0.570000 15.9994 0 7275 DPE 61 DPPE O12 OSL -0.570000 15.9994 0 7276 DPE 61 DPPE C1 CTL2 -0.080000 12.0110 0 7277 DPE 61 DPPE HA HAL2 0.090000 1.0080 0 7278 DPE 61 DPPE HB HAL2 0.090000 1.0080 0 7279 DPE 61 DPPE C2 CTL1 0.040000 12.0110 0 7280 DPE 61 DPPE HS HAL1 0.090000 1.0080 0 7281 DPE 61 DPPE O21 OSL -0.340000 15.9994 0 7282 DPE 61 DPPE C21 CL 0.630000 12.0110 0 7283 DPE 61 DPPE O22 OBL -0.520000 15.9994 0 7284 DPE 61 DPPE C22 CTL2 -0.080000 12.0110 0 7285 DPE 61 DPPE H2R HAL2 0.090000 1.0080 0 7286 DPE 61 DPPE H2S HAL2 0.090000 1.0080 0 7287 DPE 61 DPPE C3 CTL2 -0.050000 12.0110 0 7288 DPE 61 DPPE HX HAL2 0.090000 1.0080 0 7289 DPE 61 DPPE HY HAL2 0.090000 1.0080 0 7290 DPE 61 DPPE O31 OSL -0.340000 15.9994 0 7291 DPE 61 DPPE C31 CL 0.630000 12.0110 0 7292 DPE 61 DPPE O32 OBL -0.520000 15.9994 0 7293 DPE 61 DPPE C32 CTL2 -0.080000 12.0110 0 7294 DPE 61 DPPE H2X HAL2 0.090000 1.0080 0 7295 DPE 61 DPPE H2Y HAL2 0.090000 1.0080 0 7296 DPE 61 DPPE C23 CTL2 -0.180000 12.0110 0 7297 DPE 61 DPPE H3R HAL2 0.090000 1.0080 0 7298 DPE 61 DPPE H3S HAL2 0.090000 1.0080 0 7299 DPE 61 DPPE C24 CTL2 -0.180000 12.0110 0 7300 DPE 61 DPPE H4R HAL2 0.090000 1.0080 0 7301 DPE 61 DPPE H4S HAL2 0.090000 1.0080 0 7302 DPE 61 DPPE C25 CTL2 -0.180000 12.0110 0 7303 DPE 61 DPPE H5R HAL2 0.090000 1.0080 0 7304 DPE 61 DPPE H5S HAL2 0.090000 1.0080 0 7305 DPE 61 DPPE C26 CTL2 -0.180000 12.0110 0 7306 DPE 61 DPPE H6R HAL2 0.090000 1.0080 0 7307 DPE 61 DPPE H6S HAL2 0.090000 1.0080 0 7308 DPE 61 DPPE C27 CTL2 -0.180000 12.0110 0 7309 DPE 61 DPPE H7R HAL2 0.090000 1.0080 0 7310 DPE 61 DPPE H7S HAL2 0.090000 1.0080 0 7311 DPE 61 DPPE C28 CTL2 -0.180000 12.0110 0 7312 DPE 61 DPPE H8R HAL2 0.090000 1.0080 0 7313 DPE 61 DPPE H8S HAL2 0.090000 1.0080 0 7314 DPE 61 DPPE C29 CTL2 -0.180000 12.0110 0 7315 DPE 61 DPPE H9R HAL2 0.090000 1.0080 0 7316 DPE 61 DPPE H9S HAL2 0.090000 1.0080 0 7317 DPE 61 DPPE C210 CTL2 -0.180000 12.0110 0 7318 DPE 61 DPPE H10R HAL2 0.090000 1.0080 0 7319 DPE 61 DPPE H10S HAL2 0.090000 1.0080 0 7320 DPE 61 DPPE C211 CTL2 -0.180000 12.0110 0 7321 DPE 61 DPPE H11R HAL2 0.090000 1.0080 0 7322 DPE 61 DPPE H11S HAL2 0.090000 1.0080 0 7323 DPE 61 DPPE C212 CTL2 -0.180000 12.0110 0 7324 DPE 61 DPPE H12R HAL2 0.090000 1.0080 0 7325 DPE 61 DPPE H12S HAL2 0.090000 1.0080 0 7326 DPE 61 DPPE C213 CTL2 -0.180000 12.0110 0 7327 DPE 61 DPPE H13R HAL2 0.090000 1.0080 0 7328 DPE 61 DPPE H13S HAL2 0.090000 1.0080 0 7329 DPE 61 DPPE C214 CTL2 -0.180000 12.0110 0 7330 DPE 61 DPPE H14R HAL2 0.090000 1.0080 0 7331 DPE 61 DPPE H14S HAL2 0.090000 1.0080 0 7332 DPE 61 DPPE C215 CTL2 -0.180000 12.0110 0 7333 DPE 61 DPPE H15R HAL2 0.090000 1.0080 0 7334 DPE 61 DPPE H15S HAL2 0.090000 1.0080 0 7335 DPE 61 DPPE C216 CTL3 -0.270000 12.0110 0 7336 DPE 61 DPPE H16R HAL3 0.090000 1.0080 0 7337 DPE 61 DPPE H16S HAL3 0.090000 1.0080 0 7338 DPE 61 DPPE H16T HAL3 0.090000 1.0080 0 7339 DPE 61 DPPE C33 CTL2 -0.180000 12.0110 0 7340 DPE 61 DPPE H3X HAL2 0.090000 1.0080 0 7341 DPE 61 DPPE H3Y HAL2 0.090000 1.0080 0 7342 DPE 61 DPPE C34 CTL2 -0.180000 12.0110 0 7343 DPE 61 DPPE H4X HAL2 0.090000 1.0080 0 7344 DPE 61 DPPE H4Y HAL2 0.090000 1.0080 0 7345 DPE 61 DPPE C35 CTL2 -0.180000 12.0110 0 7346 DPE 61 DPPE H5X HAL2 0.090000 1.0080 0 7347 DPE 61 DPPE H5Y HAL2 0.090000 1.0080 0 7348 DPE 61 DPPE C36 CTL2 -0.180000 12.0110 0 7349 DPE 61 DPPE H6X HAL2 0.090000 1.0080 0 7350 DPE 61 DPPE H6Y HAL2 0.090000 1.0080 0 7351 DPE 61 DPPE C37 CTL2 -0.180000 12.0110 0 7352 DPE 61 DPPE H7X HAL2 0.090000 1.0080 0 7353 DPE 61 DPPE H7Y HAL2 0.090000 1.0080 0 7354 DPE 61 DPPE C38 CTL2 -0.180000 12.0110 0 7355 DPE 61 DPPE H8X HAL2 0.090000 1.0080 0 7356 DPE 61 DPPE H8Y HAL2 0.090000 1.0080 0 7357 DPE 61 DPPE C39 CTL2 -0.180000 12.0110 0 7358 DPE 61 DPPE H9X HAL2 0.090000 1.0080 0 7359 DPE 61 DPPE H9Y HAL2 0.090000 1.0080 0 7360 DPE 61 DPPE C310 CTL2 -0.180000 12.0110 0 7361 DPE 61 DPPE H10X HAL2 0.090000 1.0080 0 7362 DPE 61 DPPE H10Y HAL2 0.090000 1.0080 0 7363 DPE 61 DPPE C311 CTL2 -0.180000 12.0110 0 7364 DPE 61 DPPE H11X HAL2 0.090000 1.0080 0 7365 DPE 61 DPPE H11Y HAL2 0.090000 1.0080 0 7366 DPE 61 DPPE C312 CTL2 -0.180000 12.0110 0 7367 DPE 61 DPPE H12X HAL2 0.090000 1.0080 0 7368 DPE 61 DPPE H12Y HAL2 0.090000 1.0080 0 7369 DPE 61 DPPE C313 CTL2 -0.180000 12.0110 0 7370 DPE 61 DPPE H13X HAL2 0.090000 1.0080 0 7371 DPE 61 DPPE H13Y HAL2 0.090000 1.0080 0 7372 DPE 61 DPPE C314 CTL2 -0.180000 12.0110 0 7373 DPE 61 DPPE H14X HAL2 0.090000 1.0080 0 7374 DPE 61 DPPE H14Y HAL2 0.090000 1.0080 0 7375 DPE 61 DPPE C315 CTL2 -0.180000 12.0110 0 7376 DPE 61 DPPE H15X HAL2 0.090000 1.0080 0 7377 DPE 61 DPPE H15Y HAL2 0.090000 1.0080 0 7378 DPE 61 DPPE C316 CTL3 -0.270000 12.0110 0 7379 DPE 61 DPPE H16X HAL3 0.090000 1.0080 0 7380 DPE 61 DPPE H16Y HAL3 0.090000 1.0080 0 7381 DPE 61 DPPE H16Z HAL3 0.090000 1.0080 0 7382 DPE 62 DPPE N NH3L -0.300000 14.0070 0 7383 DPE 62 DPPE HN1 HCL 0.330000 1.0080 0 7384 DPE 62 DPPE HN2 HCL 0.330000 1.0080 0 7385 DPE 62 DPPE HN3 HCL 0.330000 1.0080 0 7386 DPE 62 DPPE C12 CTL2 0.130000 12.0110 0 7387 DPE 62 DPPE H12A HAL2 0.090000 1.0080 0 7388 DPE 62 DPPE H12B HAL2 0.090000 1.0080 0 7389 DPE 62 DPPE C11 CTL2 -0.080000 12.0110 0 7390 DPE 62 DPPE H11A HAL2 0.090000 1.0080 0 7391 DPE 62 DPPE H11B HAL2 0.090000 1.0080 0 7392 DPE 62 DPPE P PL 1.500000 30.9740 0 7393 DPE 62 DPPE O13 O2L -0.780000 15.9994 0 7394 DPE 62 DPPE O14 O2L -0.780000 15.9994 0 7395 DPE 62 DPPE O11 OSL -0.570000 15.9994 0 7396 DPE 62 DPPE O12 OSL -0.570000 15.9994 0 7397 DPE 62 DPPE C1 CTL2 -0.080000 12.0110 0 7398 DPE 62 DPPE HA HAL2 0.090000 1.0080 0 7399 DPE 62 DPPE HB HAL2 0.090000 1.0080 0 7400 DPE 62 DPPE C2 CTL1 0.040000 12.0110 0 7401 DPE 62 DPPE HS HAL1 0.090000 1.0080 0 7402 DPE 62 DPPE O21 OSL -0.340000 15.9994 0 7403 DPE 62 DPPE C21 CL 0.630000 12.0110 0 7404 DPE 62 DPPE O22 OBL -0.520000 15.9994 0 7405 DPE 62 DPPE C22 CTL2 -0.080000 12.0110 0 7406 DPE 62 DPPE H2R HAL2 0.090000 1.0080 0 7407 DPE 62 DPPE H2S HAL2 0.090000 1.0080 0 7408 DPE 62 DPPE C3 CTL2 -0.050000 12.0110 0 7409 DPE 62 DPPE HX HAL2 0.090000 1.0080 0 7410 DPE 62 DPPE HY HAL2 0.090000 1.0080 0 7411 DPE 62 DPPE O31 OSL -0.340000 15.9994 0 7412 DPE 62 DPPE C31 CL 0.630000 12.0110 0 7413 DPE 62 DPPE O32 OBL -0.520000 15.9994 0 7414 DPE 62 DPPE C32 CTL2 -0.080000 12.0110 0 7415 DPE 62 DPPE H2X HAL2 0.090000 1.0080 0 7416 DPE 62 DPPE H2Y HAL2 0.090000 1.0080 0 7417 DPE 62 DPPE C23 CTL2 -0.180000 12.0110 0 7418 DPE 62 DPPE H3R HAL2 0.090000 1.0080 0 7419 DPE 62 DPPE H3S HAL2 0.090000 1.0080 0 7420 DPE 62 DPPE C24 CTL2 -0.180000 12.0110 0 7421 DPE 62 DPPE H4R HAL2 0.090000 1.0080 0 7422 DPE 62 DPPE H4S HAL2 0.090000 1.0080 0 7423 DPE 62 DPPE C25 CTL2 -0.180000 12.0110 0 7424 DPE 62 DPPE H5R HAL2 0.090000 1.0080 0 7425 DPE 62 DPPE H5S HAL2 0.090000 1.0080 0 7426 DPE 62 DPPE C26 CTL2 -0.180000 12.0110 0 7427 DPE 62 DPPE H6R HAL2 0.090000 1.0080 0 7428 DPE 62 DPPE H6S HAL2 0.090000 1.0080 0 7429 DPE 62 DPPE C27 CTL2 -0.180000 12.0110 0 7430 DPE 62 DPPE H7R HAL2 0.090000 1.0080 0 7431 DPE 62 DPPE H7S HAL2 0.090000 1.0080 0 7432 DPE 62 DPPE C28 CTL2 -0.180000 12.0110 0 7433 DPE 62 DPPE H8R HAL2 0.090000 1.0080 0 7434 DPE 62 DPPE H8S HAL2 0.090000 1.0080 0 7435 DPE 62 DPPE C29 CTL2 -0.180000 12.0110 0 7436 DPE 62 DPPE H9R HAL2 0.090000 1.0080 0 7437 DPE 62 DPPE H9S HAL2 0.090000 1.0080 0 7438 DPE 62 DPPE C210 CTL2 -0.180000 12.0110 0 7439 DPE 62 DPPE H10R HAL2 0.090000 1.0080 0 7440 DPE 62 DPPE H10S HAL2 0.090000 1.0080 0 7441 DPE 62 DPPE C211 CTL2 -0.180000 12.0110 0 7442 DPE 62 DPPE H11R HAL2 0.090000 1.0080 0 7443 DPE 62 DPPE H11S HAL2 0.090000 1.0080 0 7444 DPE 62 DPPE C212 CTL2 -0.180000 12.0110 0 7445 DPE 62 DPPE H12R HAL2 0.090000 1.0080 0 7446 DPE 62 DPPE H12S HAL2 0.090000 1.0080 0 7447 DPE 62 DPPE C213 CTL2 -0.180000 12.0110 0 7448 DPE 62 DPPE H13R HAL2 0.090000 1.0080 0 7449 DPE 62 DPPE H13S HAL2 0.090000 1.0080 0 7450 DPE 62 DPPE C214 CTL2 -0.180000 12.0110 0 7451 DPE 62 DPPE H14R HAL2 0.090000 1.0080 0 7452 DPE 62 DPPE H14S HAL2 0.090000 1.0080 0 7453 DPE 62 DPPE C215 CTL2 -0.180000 12.0110 0 7454 DPE 62 DPPE H15R HAL2 0.090000 1.0080 0 7455 DPE 62 DPPE H15S HAL2 0.090000 1.0080 0 7456 DPE 62 DPPE C216 CTL3 -0.270000 12.0110 0 7457 DPE 62 DPPE H16R HAL3 0.090000 1.0080 0 7458 DPE 62 DPPE H16S HAL3 0.090000 1.0080 0 7459 DPE 62 DPPE H16T HAL3 0.090000 1.0080 0 7460 DPE 62 DPPE C33 CTL2 -0.180000 12.0110 0 7461 DPE 62 DPPE H3X HAL2 0.090000 1.0080 0 7462 DPE 62 DPPE H3Y HAL2 0.090000 1.0080 0 7463 DPE 62 DPPE C34 CTL2 -0.180000 12.0110 0 7464 DPE 62 DPPE H4X HAL2 0.090000 1.0080 0 7465 DPE 62 DPPE H4Y HAL2 0.090000 1.0080 0 7466 DPE 62 DPPE C35 CTL2 -0.180000 12.0110 0 7467 DPE 62 DPPE H5X HAL2 0.090000 1.0080 0 7468 DPE 62 DPPE H5Y HAL2 0.090000 1.0080 0 7469 DPE 62 DPPE C36 CTL2 -0.180000 12.0110 0 7470 DPE 62 DPPE H6X HAL2 0.090000 1.0080 0 7471 DPE 62 DPPE H6Y HAL2 0.090000 1.0080 0 7472 DPE 62 DPPE C37 CTL2 -0.180000 12.0110 0 7473 DPE 62 DPPE H7X HAL2 0.090000 1.0080 0 7474 DPE 62 DPPE H7Y HAL2 0.090000 1.0080 0 7475 DPE 62 DPPE C38 CTL2 -0.180000 12.0110 0 7476 DPE 62 DPPE H8X HAL2 0.090000 1.0080 0 7477 DPE 62 DPPE H8Y HAL2 0.090000 1.0080 0 7478 DPE 62 DPPE C39 CTL2 -0.180000 12.0110 0 7479 DPE 62 DPPE H9X HAL2 0.090000 1.0080 0 7480 DPE 62 DPPE H9Y HAL2 0.090000 1.0080 0 7481 DPE 62 DPPE C310 CTL2 -0.180000 12.0110 0 7482 DPE 62 DPPE H10X HAL2 0.090000 1.0080 0 7483 DPE 62 DPPE H10Y HAL2 0.090000 1.0080 0 7484 DPE 62 DPPE C311 CTL2 -0.180000 12.0110 0 7485 DPE 62 DPPE H11X HAL2 0.090000 1.0080 0 7486 DPE 62 DPPE H11Y HAL2 0.090000 1.0080 0 7487 DPE 62 DPPE C312 CTL2 -0.180000 12.0110 0 7488 DPE 62 DPPE H12X HAL2 0.090000 1.0080 0 7489 DPE 62 DPPE H12Y HAL2 0.090000 1.0080 0 7490 DPE 62 DPPE C313 CTL2 -0.180000 12.0110 0 7491 DPE 62 DPPE H13X HAL2 0.090000 1.0080 0 7492 DPE 62 DPPE H13Y HAL2 0.090000 1.0080 0 7493 DPE 62 DPPE C314 CTL2 -0.180000 12.0110 0 7494 DPE 62 DPPE H14X HAL2 0.090000 1.0080 0 7495 DPE 62 DPPE H14Y HAL2 0.090000 1.0080 0 7496 DPE 62 DPPE C315 CTL2 -0.180000 12.0110 0 7497 DPE 62 DPPE H15X HAL2 0.090000 1.0080 0 7498 DPE 62 DPPE H15Y HAL2 0.090000 1.0080 0 7499 DPE 62 DPPE C316 CTL3 -0.270000 12.0110 0 7500 DPE 62 DPPE H16X HAL3 0.090000 1.0080 0 7501 DPE 62 DPPE H16Y HAL3 0.090000 1.0080 0 7502 DPE 62 DPPE H16Z HAL3 0.090000 1.0080 0 7503 DPE 63 DPPE N NH3L -0.300000 14.0070 0 7504 DPE 63 DPPE HN1 HCL 0.330000 1.0080 0 7505 DPE 63 DPPE HN2 HCL 0.330000 1.0080 0 7506 DPE 63 DPPE HN3 HCL 0.330000 1.0080 0 7507 DPE 63 DPPE C12 CTL2 0.130000 12.0110 0 7508 DPE 63 DPPE H12A HAL2 0.090000 1.0080 0 7509 DPE 63 DPPE H12B HAL2 0.090000 1.0080 0 7510 DPE 63 DPPE C11 CTL2 -0.080000 12.0110 0 7511 DPE 63 DPPE H11A HAL2 0.090000 1.0080 0 7512 DPE 63 DPPE H11B HAL2 0.090000 1.0080 0 7513 DPE 63 DPPE P PL 1.500000 30.9740 0 7514 DPE 63 DPPE O13 O2L -0.780000 15.9994 0 7515 DPE 63 DPPE O14 O2L -0.780000 15.9994 0 7516 DPE 63 DPPE O11 OSL -0.570000 15.9994 0 7517 DPE 63 DPPE O12 OSL -0.570000 15.9994 0 7518 DPE 63 DPPE C1 CTL2 -0.080000 12.0110 0 7519 DPE 63 DPPE HA HAL2 0.090000 1.0080 0 7520 DPE 63 DPPE HB HAL2 0.090000 1.0080 0 7521 DPE 63 DPPE C2 CTL1 0.040000 12.0110 0 7522 DPE 63 DPPE HS HAL1 0.090000 1.0080 0 7523 DPE 63 DPPE O21 OSL -0.340000 15.9994 0 7524 DPE 63 DPPE C21 CL 0.630000 12.0110 0 7525 DPE 63 DPPE O22 OBL -0.520000 15.9994 0 7526 DPE 63 DPPE C22 CTL2 -0.080000 12.0110 0 7527 DPE 63 DPPE H2R HAL2 0.090000 1.0080 0 7528 DPE 63 DPPE H2S HAL2 0.090000 1.0080 0 7529 DPE 63 DPPE C3 CTL2 -0.050000 12.0110 0 7530 DPE 63 DPPE HX HAL2 0.090000 1.0080 0 7531 DPE 63 DPPE HY HAL2 0.090000 1.0080 0 7532 DPE 63 DPPE O31 OSL -0.340000 15.9994 0 7533 DPE 63 DPPE C31 CL 0.630000 12.0110 0 7534 DPE 63 DPPE O32 OBL -0.520000 15.9994 0 7535 DPE 63 DPPE C32 CTL2 -0.080000 12.0110 0 7536 DPE 63 DPPE H2X HAL2 0.090000 1.0080 0 7537 DPE 63 DPPE H2Y HAL2 0.090000 1.0080 0 7538 DPE 63 DPPE C23 CTL2 -0.180000 12.0110 0 7539 DPE 63 DPPE H3R HAL2 0.090000 1.0080 0 7540 DPE 63 DPPE H3S HAL2 0.090000 1.0080 0 7541 DPE 63 DPPE C24 CTL2 -0.180000 12.0110 0 7542 DPE 63 DPPE H4R HAL2 0.090000 1.0080 0 7543 DPE 63 DPPE H4S HAL2 0.090000 1.0080 0 7544 DPE 63 DPPE C25 CTL2 -0.180000 12.0110 0 7545 DPE 63 DPPE H5R HAL2 0.090000 1.0080 0 7546 DPE 63 DPPE H5S HAL2 0.090000 1.0080 0 7547 DPE 63 DPPE C26 CTL2 -0.180000 12.0110 0 7548 DPE 63 DPPE H6R HAL2 0.090000 1.0080 0 7549 DPE 63 DPPE H6S HAL2 0.090000 1.0080 0 7550 DPE 63 DPPE C27 CTL2 -0.180000 12.0110 0 7551 DPE 63 DPPE H7R HAL2 0.090000 1.0080 0 7552 DPE 63 DPPE H7S HAL2 0.090000 1.0080 0 7553 DPE 63 DPPE C28 CTL2 -0.180000 12.0110 0 7554 DPE 63 DPPE H8R HAL2 0.090000 1.0080 0 7555 DPE 63 DPPE H8S HAL2 0.090000 1.0080 0 7556 DPE 63 DPPE C29 CTL2 -0.180000 12.0110 0 7557 DPE 63 DPPE H9R HAL2 0.090000 1.0080 0 7558 DPE 63 DPPE H9S HAL2 0.090000 1.0080 0 7559 DPE 63 DPPE C210 CTL2 -0.180000 12.0110 0 7560 DPE 63 DPPE H10R HAL2 0.090000 1.0080 0 7561 DPE 63 DPPE H10S HAL2 0.090000 1.0080 0 7562 DPE 63 DPPE C211 CTL2 -0.180000 12.0110 0 7563 DPE 63 DPPE H11R HAL2 0.090000 1.0080 0 7564 DPE 63 DPPE H11S HAL2 0.090000 1.0080 0 7565 DPE 63 DPPE C212 CTL2 -0.180000 12.0110 0 7566 DPE 63 DPPE H12R HAL2 0.090000 1.0080 0 7567 DPE 63 DPPE H12S HAL2 0.090000 1.0080 0 7568 DPE 63 DPPE C213 CTL2 -0.180000 12.0110 0 7569 DPE 63 DPPE H13R HAL2 0.090000 1.0080 0 7570 DPE 63 DPPE H13S HAL2 0.090000 1.0080 0 7571 DPE 63 DPPE C214 CTL2 -0.180000 12.0110 0 7572 DPE 63 DPPE H14R HAL2 0.090000 1.0080 0 7573 DPE 63 DPPE H14S HAL2 0.090000 1.0080 0 7574 DPE 63 DPPE C215 CTL2 -0.180000 12.0110 0 7575 DPE 63 DPPE H15R HAL2 0.090000 1.0080 0 7576 DPE 63 DPPE H15S HAL2 0.090000 1.0080 0 7577 DPE 63 DPPE C216 CTL3 -0.270000 12.0110 0 7578 DPE 63 DPPE H16R HAL3 0.090000 1.0080 0 7579 DPE 63 DPPE H16S HAL3 0.090000 1.0080 0 7580 DPE 63 DPPE H16T HAL3 0.090000 1.0080 0 7581 DPE 63 DPPE C33 CTL2 -0.180000 12.0110 0 7582 DPE 63 DPPE H3X HAL2 0.090000 1.0080 0 7583 DPE 63 DPPE H3Y HAL2 0.090000 1.0080 0 7584 DPE 63 DPPE C34 CTL2 -0.180000 12.0110 0 7585 DPE 63 DPPE H4X HAL2 0.090000 1.0080 0 7586 DPE 63 DPPE H4Y HAL2 0.090000 1.0080 0 7587 DPE 63 DPPE C35 CTL2 -0.180000 12.0110 0 7588 DPE 63 DPPE H5X HAL2 0.090000 1.0080 0 7589 DPE 63 DPPE H5Y HAL2 0.090000 1.0080 0 7590 DPE 63 DPPE C36 CTL2 -0.180000 12.0110 0 7591 DPE 63 DPPE H6X HAL2 0.090000 1.0080 0 7592 DPE 63 DPPE H6Y HAL2 0.090000 1.0080 0 7593 DPE 63 DPPE C37 CTL2 -0.180000 12.0110 0 7594 DPE 63 DPPE H7X HAL2 0.090000 1.0080 0 7595 DPE 63 DPPE H7Y HAL2 0.090000 1.0080 0 7596 DPE 63 DPPE C38 CTL2 -0.180000 12.0110 0 7597 DPE 63 DPPE H8X HAL2 0.090000 1.0080 0 7598 DPE 63 DPPE H8Y HAL2 0.090000 1.0080 0 7599 DPE 63 DPPE C39 CTL2 -0.180000 12.0110 0 7600 DPE 63 DPPE H9X HAL2 0.090000 1.0080 0 7601 DPE 63 DPPE H9Y HAL2 0.090000 1.0080 0 7602 DPE 63 DPPE C310 CTL2 -0.180000 12.0110 0 7603 DPE 63 DPPE H10X HAL2 0.090000 1.0080 0 7604 DPE 63 DPPE H10Y HAL2 0.090000 1.0080 0 7605 DPE 63 DPPE C311 CTL2 -0.180000 12.0110 0 7606 DPE 63 DPPE H11X HAL2 0.090000 1.0080 0 7607 DPE 63 DPPE H11Y HAL2 0.090000 1.0080 0 7608 DPE 63 DPPE C312 CTL2 -0.180000 12.0110 0 7609 DPE 63 DPPE H12X HAL2 0.090000 1.0080 0 7610 DPE 63 DPPE H12Y HAL2 0.090000 1.0080 0 7611 DPE 63 DPPE C313 CTL2 -0.180000 12.0110 0 7612 DPE 63 DPPE H13X HAL2 0.090000 1.0080 0 7613 DPE 63 DPPE H13Y HAL2 0.090000 1.0080 0 7614 DPE 63 DPPE C314 CTL2 -0.180000 12.0110 0 7615 DPE 63 DPPE H14X HAL2 0.090000 1.0080 0 7616 DPE 63 DPPE H14Y HAL2 0.090000 1.0080 0 7617 DPE 63 DPPE C315 CTL2 -0.180000 12.0110 0 7618 DPE 63 DPPE H15X HAL2 0.090000 1.0080 0 7619 DPE 63 DPPE H15Y HAL2 0.090000 1.0080 0 7620 DPE 63 DPPE C316 CTL3 -0.270000 12.0110 0 7621 DPE 63 DPPE H16X HAL3 0.090000 1.0080 0 7622 DPE 63 DPPE H16Y HAL3 0.090000 1.0080 0 7623 DPE 63 DPPE H16Z HAL3 0.090000 1.0080 0 7624 DPE 64 DPPE N NH3L -0.300000 14.0070 0 7625 DPE 64 DPPE HN1 HCL 0.330000 1.0080 0 7626 DPE 64 DPPE HN2 HCL 0.330000 1.0080 0 7627 DPE 64 DPPE HN3 HCL 0.330000 1.0080 0 7628 DPE 64 DPPE C12 CTL2 0.130000 12.0110 0 7629 DPE 64 DPPE H12A HAL2 0.090000 1.0080 0 7630 DPE 64 DPPE H12B HAL2 0.090000 1.0080 0 7631 DPE 64 DPPE C11 CTL2 -0.080000 12.0110 0 7632 DPE 64 DPPE H11A HAL2 0.090000 1.0080 0 7633 DPE 64 DPPE H11B HAL2 0.090000 1.0080 0 7634 DPE 64 DPPE P PL 1.500000 30.9740 0 7635 DPE 64 DPPE O13 O2L -0.780000 15.9994 0 7636 DPE 64 DPPE O14 O2L -0.780000 15.9994 0 7637 DPE 64 DPPE O11 OSL -0.570000 15.9994 0 7638 DPE 64 DPPE O12 OSL -0.570000 15.9994 0 7639 DPE 64 DPPE C1 CTL2 -0.080000 12.0110 0 7640 DPE 64 DPPE HA HAL2 0.090000 1.0080 0 7641 DPE 64 DPPE HB HAL2 0.090000 1.0080 0 7642 DPE 64 DPPE C2 CTL1 0.040000 12.0110 0 7643 DPE 64 DPPE HS HAL1 0.090000 1.0080 0 7644 DPE 64 DPPE O21 OSL -0.340000 15.9994 0 7645 DPE 64 DPPE C21 CL 0.630000 12.0110 0 7646 DPE 64 DPPE O22 OBL -0.520000 15.9994 0 7647 DPE 64 DPPE C22 CTL2 -0.080000 12.0110 0 7648 DPE 64 DPPE H2R HAL2 0.090000 1.0080 0 7649 DPE 64 DPPE H2S HAL2 0.090000 1.0080 0 7650 DPE 64 DPPE C3 CTL2 -0.050000 12.0110 0 7651 DPE 64 DPPE HX HAL2 0.090000 1.0080 0 7652 DPE 64 DPPE HY HAL2 0.090000 1.0080 0 7653 DPE 64 DPPE O31 OSL -0.340000 15.9994 0 7654 DPE 64 DPPE C31 CL 0.630000 12.0110 0 7655 DPE 64 DPPE O32 OBL -0.520000 15.9994 0 7656 DPE 64 DPPE C32 CTL2 -0.080000 12.0110 0 7657 DPE 64 DPPE H2X HAL2 0.090000 1.0080 0 7658 DPE 64 DPPE H2Y HAL2 0.090000 1.0080 0 7659 DPE 64 DPPE C23 CTL2 -0.180000 12.0110 0 7660 DPE 64 DPPE H3R HAL2 0.090000 1.0080 0 7661 DPE 64 DPPE H3S HAL2 0.090000 1.0080 0 7662 DPE 64 DPPE C24 CTL2 -0.180000 12.0110 0 7663 DPE 64 DPPE H4R HAL2 0.090000 1.0080 0 7664 DPE 64 DPPE H4S HAL2 0.090000 1.0080 0 7665 DPE 64 DPPE C25 CTL2 -0.180000 12.0110 0 7666 DPE 64 DPPE H5R HAL2 0.090000 1.0080 0 7667 DPE 64 DPPE H5S HAL2 0.090000 1.0080 0 7668 DPE 64 DPPE C26 CTL2 -0.180000 12.0110 0 7669 DPE 64 DPPE H6R HAL2 0.090000 1.0080 0 7670 DPE 64 DPPE H6S HAL2 0.090000 1.0080 0 7671 DPE 64 DPPE C27 CTL2 -0.180000 12.0110 0 7672 DPE 64 DPPE H7R HAL2 0.090000 1.0080 0 7673 DPE 64 DPPE H7S HAL2 0.090000 1.0080 0 7674 DPE 64 DPPE C28 CTL2 -0.180000 12.0110 0 7675 DPE 64 DPPE H8R HAL2 0.090000 1.0080 0 7676 DPE 64 DPPE H8S HAL2 0.090000 1.0080 0 7677 DPE 64 DPPE C29 CTL2 -0.180000 12.0110 0 7678 DPE 64 DPPE H9R HAL2 0.090000 1.0080 0 7679 DPE 64 DPPE H9S HAL2 0.090000 1.0080 0 7680 DPE 64 DPPE C210 CTL2 -0.180000 12.0110 0 7681 DPE 64 DPPE H10R HAL2 0.090000 1.0080 0 7682 DPE 64 DPPE H10S HAL2 0.090000 1.0080 0 7683 DPE 64 DPPE C211 CTL2 -0.180000 12.0110 0 7684 DPE 64 DPPE H11R HAL2 0.090000 1.0080 0 7685 DPE 64 DPPE H11S HAL2 0.090000 1.0080 0 7686 DPE 64 DPPE C212 CTL2 -0.180000 12.0110 0 7687 DPE 64 DPPE H12R HAL2 0.090000 1.0080 0 7688 DPE 64 DPPE H12S HAL2 0.090000 1.0080 0 7689 DPE 64 DPPE C213 CTL2 -0.180000 12.0110 0 7690 DPE 64 DPPE H13R HAL2 0.090000 1.0080 0 7691 DPE 64 DPPE H13S HAL2 0.090000 1.0080 0 7692 DPE 64 DPPE C214 CTL2 -0.180000 12.0110 0 7693 DPE 64 DPPE H14R HAL2 0.090000 1.0080 0 7694 DPE 64 DPPE H14S HAL2 0.090000 1.0080 0 7695 DPE 64 DPPE C215 CTL2 -0.180000 12.0110 0 7696 DPE 64 DPPE H15R HAL2 0.090000 1.0080 0 7697 DPE 64 DPPE H15S HAL2 0.090000 1.0080 0 7698 DPE 64 DPPE C216 CTL3 -0.270000 12.0110 0 7699 DPE 64 DPPE H16R HAL3 0.090000 1.0080 0 7700 DPE 64 DPPE H16S HAL3 0.090000 1.0080 0 7701 DPE 64 DPPE H16T HAL3 0.090000 1.0080 0 7702 DPE 64 DPPE C33 CTL2 -0.180000 12.0110 0 7703 DPE 64 DPPE H3X HAL2 0.090000 1.0080 0 7704 DPE 64 DPPE H3Y HAL2 0.090000 1.0080 0 7705 DPE 64 DPPE C34 CTL2 -0.180000 12.0110 0 7706 DPE 64 DPPE H4X HAL2 0.090000 1.0080 0 7707 DPE 64 DPPE H4Y HAL2 0.090000 1.0080 0 7708 DPE 64 DPPE C35 CTL2 -0.180000 12.0110 0 7709 DPE 64 DPPE H5X HAL2 0.090000 1.0080 0 7710 DPE 64 DPPE H5Y HAL2 0.090000 1.0080 0 7711 DPE 64 DPPE C36 CTL2 -0.180000 12.0110 0 7712 DPE 64 DPPE H6X HAL2 0.090000 1.0080 0 7713 DPE 64 DPPE H6Y HAL2 0.090000 1.0080 0 7714 DPE 64 DPPE C37 CTL2 -0.180000 12.0110 0 7715 DPE 64 DPPE H7X HAL2 0.090000 1.0080 0 7716 DPE 64 DPPE H7Y HAL2 0.090000 1.0080 0 7717 DPE 64 DPPE C38 CTL2 -0.180000 12.0110 0 7718 DPE 64 DPPE H8X HAL2 0.090000 1.0080 0 7719 DPE 64 DPPE H8Y HAL2 0.090000 1.0080 0 7720 DPE 64 DPPE C39 CTL2 -0.180000 12.0110 0 7721 DPE 64 DPPE H9X HAL2 0.090000 1.0080 0 7722 DPE 64 DPPE H9Y HAL2 0.090000 1.0080 0 7723 DPE 64 DPPE C310 CTL2 -0.180000 12.0110 0 7724 DPE 64 DPPE H10X HAL2 0.090000 1.0080 0 7725 DPE 64 DPPE H10Y HAL2 0.090000 1.0080 0 7726 DPE 64 DPPE C311 CTL2 -0.180000 12.0110 0 7727 DPE 64 DPPE H11X HAL2 0.090000 1.0080 0 7728 DPE 64 DPPE H11Y HAL2 0.090000 1.0080 0 7729 DPE 64 DPPE C312 CTL2 -0.180000 12.0110 0 7730 DPE 64 DPPE H12X HAL2 0.090000 1.0080 0 7731 DPE 64 DPPE H12Y HAL2 0.090000 1.0080 0 7732 DPE 64 DPPE C313 CTL2 -0.180000 12.0110 0 7733 DPE 64 DPPE H13X HAL2 0.090000 1.0080 0 7734 DPE 64 DPPE H13Y HAL2 0.090000 1.0080 0 7735 DPE 64 DPPE C314 CTL2 -0.180000 12.0110 0 7736 DPE 64 DPPE H14X HAL2 0.090000 1.0080 0 7737 DPE 64 DPPE H14Y HAL2 0.090000 1.0080 0 7738 DPE 64 DPPE C315 CTL2 -0.180000 12.0110 0 7739 DPE 64 DPPE H15X HAL2 0.090000 1.0080 0 7740 DPE 64 DPPE H15Y HAL2 0.090000 1.0080 0 7741 DPE 64 DPPE C316 CTL3 -0.270000 12.0110 0 7742 DPE 64 DPPE H16X HAL3 0.090000 1.0080 0 7743 DPE 64 DPPE H16Y HAL3 0.090000 1.0080 0 7744 DPE 64 DPPE H16Z HAL3 0.090000 1.0080 0 7745 DPE 65 DPPE N NH3L -0.300000 14.0070 0 7746 DPE 65 DPPE HN1 HCL 0.330000 1.0080 0 7747 DPE 65 DPPE HN2 HCL 0.330000 1.0080 0 7748 DPE 65 DPPE HN3 HCL 0.330000 1.0080 0 7749 DPE 65 DPPE C12 CTL2 0.130000 12.0110 0 7750 DPE 65 DPPE H12A HAL2 0.090000 1.0080 0 7751 DPE 65 DPPE H12B HAL2 0.090000 1.0080 0 7752 DPE 65 DPPE C11 CTL2 -0.080000 12.0110 0 7753 DPE 65 DPPE H11A HAL2 0.090000 1.0080 0 7754 DPE 65 DPPE H11B HAL2 0.090000 1.0080 0 7755 DPE 65 DPPE P PL 1.500000 30.9740 0 7756 DPE 65 DPPE O13 O2L -0.780000 15.9994 0 7757 DPE 65 DPPE O14 O2L -0.780000 15.9994 0 7758 DPE 65 DPPE O11 OSL -0.570000 15.9994 0 7759 DPE 65 DPPE O12 OSL -0.570000 15.9994 0 7760 DPE 65 DPPE C1 CTL2 -0.080000 12.0110 0 7761 DPE 65 DPPE HA HAL2 0.090000 1.0080 0 7762 DPE 65 DPPE HB HAL2 0.090000 1.0080 0 7763 DPE 65 DPPE C2 CTL1 0.040000 12.0110 0 7764 DPE 65 DPPE HS HAL1 0.090000 1.0080 0 7765 DPE 65 DPPE O21 OSL -0.340000 15.9994 0 7766 DPE 65 DPPE C21 CL 0.630000 12.0110 0 7767 DPE 65 DPPE O22 OBL -0.520000 15.9994 0 7768 DPE 65 DPPE C22 CTL2 -0.080000 12.0110 0 7769 DPE 65 DPPE H2R HAL2 0.090000 1.0080 0 7770 DPE 65 DPPE H2S HAL2 0.090000 1.0080 0 7771 DPE 65 DPPE C3 CTL2 -0.050000 12.0110 0 7772 DPE 65 DPPE HX HAL2 0.090000 1.0080 0 7773 DPE 65 DPPE HY HAL2 0.090000 1.0080 0 7774 DPE 65 DPPE O31 OSL -0.340000 15.9994 0 7775 DPE 65 DPPE C31 CL 0.630000 12.0110 0 7776 DPE 65 DPPE O32 OBL -0.520000 15.9994 0 7777 DPE 65 DPPE C32 CTL2 -0.080000 12.0110 0 7778 DPE 65 DPPE H2X HAL2 0.090000 1.0080 0 7779 DPE 65 DPPE H2Y HAL2 0.090000 1.0080 0 7780 DPE 65 DPPE C23 CTL2 -0.180000 12.0110 0 7781 DPE 65 DPPE H3R HAL2 0.090000 1.0080 0 7782 DPE 65 DPPE H3S HAL2 0.090000 1.0080 0 7783 DPE 65 DPPE C24 CTL2 -0.180000 12.0110 0 7784 DPE 65 DPPE H4R HAL2 0.090000 1.0080 0 7785 DPE 65 DPPE H4S HAL2 0.090000 1.0080 0 7786 DPE 65 DPPE C25 CTL2 -0.180000 12.0110 0 7787 DPE 65 DPPE H5R HAL2 0.090000 1.0080 0 7788 DPE 65 DPPE H5S HAL2 0.090000 1.0080 0 7789 DPE 65 DPPE C26 CTL2 -0.180000 12.0110 0 7790 DPE 65 DPPE H6R HAL2 0.090000 1.0080 0 7791 DPE 65 DPPE H6S HAL2 0.090000 1.0080 0 7792 DPE 65 DPPE C27 CTL2 -0.180000 12.0110 0 7793 DPE 65 DPPE H7R HAL2 0.090000 1.0080 0 7794 DPE 65 DPPE H7S HAL2 0.090000 1.0080 0 7795 DPE 65 DPPE C28 CTL2 -0.180000 12.0110 0 7796 DPE 65 DPPE H8R HAL2 0.090000 1.0080 0 7797 DPE 65 DPPE H8S HAL2 0.090000 1.0080 0 7798 DPE 65 DPPE C29 CTL2 -0.180000 12.0110 0 7799 DPE 65 DPPE H9R HAL2 0.090000 1.0080 0 7800 DPE 65 DPPE H9S HAL2 0.090000 1.0080 0 7801 DPE 65 DPPE C210 CTL2 -0.180000 12.0110 0 7802 DPE 65 DPPE H10R HAL2 0.090000 1.0080 0 7803 DPE 65 DPPE H10S HAL2 0.090000 1.0080 0 7804 DPE 65 DPPE C211 CTL2 -0.180000 12.0110 0 7805 DPE 65 DPPE H11R HAL2 0.090000 1.0080 0 7806 DPE 65 DPPE H11S HAL2 0.090000 1.0080 0 7807 DPE 65 DPPE C212 CTL2 -0.180000 12.0110 0 7808 DPE 65 DPPE H12R HAL2 0.090000 1.0080 0 7809 DPE 65 DPPE H12S HAL2 0.090000 1.0080 0 7810 DPE 65 DPPE C213 CTL2 -0.180000 12.0110 0 7811 DPE 65 DPPE H13R HAL2 0.090000 1.0080 0 7812 DPE 65 DPPE H13S HAL2 0.090000 1.0080 0 7813 DPE 65 DPPE C214 CTL2 -0.180000 12.0110 0 7814 DPE 65 DPPE H14R HAL2 0.090000 1.0080 0 7815 DPE 65 DPPE H14S HAL2 0.090000 1.0080 0 7816 DPE 65 DPPE C215 CTL2 -0.180000 12.0110 0 7817 DPE 65 DPPE H15R HAL2 0.090000 1.0080 0 7818 DPE 65 DPPE H15S HAL2 0.090000 1.0080 0 7819 DPE 65 DPPE C216 CTL3 -0.270000 12.0110 0 7820 DPE 65 DPPE H16R HAL3 0.090000 1.0080 0 7821 DPE 65 DPPE H16S HAL3 0.090000 1.0080 0 7822 DPE 65 DPPE H16T HAL3 0.090000 1.0080 0 7823 DPE 65 DPPE C33 CTL2 -0.180000 12.0110 0 7824 DPE 65 DPPE H3X HAL2 0.090000 1.0080 0 7825 DPE 65 DPPE H3Y HAL2 0.090000 1.0080 0 7826 DPE 65 DPPE C34 CTL2 -0.180000 12.0110 0 7827 DPE 65 DPPE H4X HAL2 0.090000 1.0080 0 7828 DPE 65 DPPE H4Y HAL2 0.090000 1.0080 0 7829 DPE 65 DPPE C35 CTL2 -0.180000 12.0110 0 7830 DPE 65 DPPE H5X HAL2 0.090000 1.0080 0 7831 DPE 65 DPPE H5Y HAL2 0.090000 1.0080 0 7832 DPE 65 DPPE C36 CTL2 -0.180000 12.0110 0 7833 DPE 65 DPPE H6X HAL2 0.090000 1.0080 0 7834 DPE 65 DPPE H6Y HAL2 0.090000 1.0080 0 7835 DPE 65 DPPE C37 CTL2 -0.180000 12.0110 0 7836 DPE 65 DPPE H7X HAL2 0.090000 1.0080 0 7837 DPE 65 DPPE H7Y HAL2 0.090000 1.0080 0 7838 DPE 65 DPPE C38 CTL2 -0.180000 12.0110 0 7839 DPE 65 DPPE H8X HAL2 0.090000 1.0080 0 7840 DPE 65 DPPE H8Y HAL2 0.090000 1.0080 0 7841 DPE 65 DPPE C39 CTL2 -0.180000 12.0110 0 7842 DPE 65 DPPE H9X HAL2 0.090000 1.0080 0 7843 DPE 65 DPPE H9Y HAL2 0.090000 1.0080 0 7844 DPE 65 DPPE C310 CTL2 -0.180000 12.0110 0 7845 DPE 65 DPPE H10X HAL2 0.090000 1.0080 0 7846 DPE 65 DPPE H10Y HAL2 0.090000 1.0080 0 7847 DPE 65 DPPE C311 CTL2 -0.180000 12.0110 0 7848 DPE 65 DPPE H11X HAL2 0.090000 1.0080 0 7849 DPE 65 DPPE H11Y HAL2 0.090000 1.0080 0 7850 DPE 65 DPPE C312 CTL2 -0.180000 12.0110 0 7851 DPE 65 DPPE H12X HAL2 0.090000 1.0080 0 7852 DPE 65 DPPE H12Y HAL2 0.090000 1.0080 0 7853 DPE 65 DPPE C313 CTL2 -0.180000 12.0110 0 7854 DPE 65 DPPE H13X HAL2 0.090000 1.0080 0 7855 DPE 65 DPPE H13Y HAL2 0.090000 1.0080 0 7856 DPE 65 DPPE C314 CTL2 -0.180000 12.0110 0 7857 DPE 65 DPPE H14X HAL2 0.090000 1.0080 0 7858 DPE 65 DPPE H14Y HAL2 0.090000 1.0080 0 7859 DPE 65 DPPE C315 CTL2 -0.180000 12.0110 0 7860 DPE 65 DPPE H15X HAL2 0.090000 1.0080 0 7861 DPE 65 DPPE H15Y HAL2 0.090000 1.0080 0 7862 DPE 65 DPPE C316 CTL3 -0.270000 12.0110 0 7863 DPE 65 DPPE H16X HAL3 0.090000 1.0080 0 7864 DPE 65 DPPE H16Y HAL3 0.090000 1.0080 0 7865 DPE 65 DPPE H16Z HAL3 0.090000 1.0080 0 7866 DPE 66 DPPE N NH3L -0.300000 14.0070 0 7867 DPE 66 DPPE HN1 HCL 0.330000 1.0080 0 7868 DPE 66 DPPE HN2 HCL 0.330000 1.0080 0 7869 DPE 66 DPPE HN3 HCL 0.330000 1.0080 0 7870 DPE 66 DPPE C12 CTL2 0.130000 12.0110 0 7871 DPE 66 DPPE H12A HAL2 0.090000 1.0080 0 7872 DPE 66 DPPE H12B HAL2 0.090000 1.0080 0 7873 DPE 66 DPPE C11 CTL2 -0.080000 12.0110 0 7874 DPE 66 DPPE H11A HAL2 0.090000 1.0080 0 7875 DPE 66 DPPE H11B HAL2 0.090000 1.0080 0 7876 DPE 66 DPPE P PL 1.500000 30.9740 0 7877 DPE 66 DPPE O13 O2L -0.780000 15.9994 0 7878 DPE 66 DPPE O14 O2L -0.780000 15.9994 0 7879 DPE 66 DPPE O11 OSL -0.570000 15.9994 0 7880 DPE 66 DPPE O12 OSL -0.570000 15.9994 0 7881 DPE 66 DPPE C1 CTL2 -0.080000 12.0110 0 7882 DPE 66 DPPE HA HAL2 0.090000 1.0080 0 7883 DPE 66 DPPE HB HAL2 0.090000 1.0080 0 7884 DPE 66 DPPE C2 CTL1 0.040000 12.0110 0 7885 DPE 66 DPPE HS HAL1 0.090000 1.0080 0 7886 DPE 66 DPPE O21 OSL -0.340000 15.9994 0 7887 DPE 66 DPPE C21 CL 0.630000 12.0110 0 7888 DPE 66 DPPE O22 OBL -0.520000 15.9994 0 7889 DPE 66 DPPE C22 CTL2 -0.080000 12.0110 0 7890 DPE 66 DPPE H2R HAL2 0.090000 1.0080 0 7891 DPE 66 DPPE H2S HAL2 0.090000 1.0080 0 7892 DPE 66 DPPE C3 CTL2 -0.050000 12.0110 0 7893 DPE 66 DPPE HX HAL2 0.090000 1.0080 0 7894 DPE 66 DPPE HY HAL2 0.090000 1.0080 0 7895 DPE 66 DPPE O31 OSL -0.340000 15.9994 0 7896 DPE 66 DPPE C31 CL 0.630000 12.0110 0 7897 DPE 66 DPPE O32 OBL -0.520000 15.9994 0 7898 DPE 66 DPPE C32 CTL2 -0.080000 12.0110 0 7899 DPE 66 DPPE H2X HAL2 0.090000 1.0080 0 7900 DPE 66 DPPE H2Y HAL2 0.090000 1.0080 0 7901 DPE 66 DPPE C23 CTL2 -0.180000 12.0110 0 7902 DPE 66 DPPE H3R HAL2 0.090000 1.0080 0 7903 DPE 66 DPPE H3S HAL2 0.090000 1.0080 0 7904 DPE 66 DPPE C24 CTL2 -0.180000 12.0110 0 7905 DPE 66 DPPE H4R HAL2 0.090000 1.0080 0 7906 DPE 66 DPPE H4S HAL2 0.090000 1.0080 0 7907 DPE 66 DPPE C25 CTL2 -0.180000 12.0110 0 7908 DPE 66 DPPE H5R HAL2 0.090000 1.0080 0 7909 DPE 66 DPPE H5S HAL2 0.090000 1.0080 0 7910 DPE 66 DPPE C26 CTL2 -0.180000 12.0110 0 7911 DPE 66 DPPE H6R HAL2 0.090000 1.0080 0 7912 DPE 66 DPPE H6S HAL2 0.090000 1.0080 0 7913 DPE 66 DPPE C27 CTL2 -0.180000 12.0110 0 7914 DPE 66 DPPE H7R HAL2 0.090000 1.0080 0 7915 DPE 66 DPPE H7S HAL2 0.090000 1.0080 0 7916 DPE 66 DPPE C28 CTL2 -0.180000 12.0110 0 7917 DPE 66 DPPE H8R HAL2 0.090000 1.0080 0 7918 DPE 66 DPPE H8S HAL2 0.090000 1.0080 0 7919 DPE 66 DPPE C29 CTL2 -0.180000 12.0110 0 7920 DPE 66 DPPE H9R HAL2 0.090000 1.0080 0 7921 DPE 66 DPPE H9S HAL2 0.090000 1.0080 0 7922 DPE 66 DPPE C210 CTL2 -0.180000 12.0110 0 7923 DPE 66 DPPE H10R HAL2 0.090000 1.0080 0 7924 DPE 66 DPPE H10S HAL2 0.090000 1.0080 0 7925 DPE 66 DPPE C211 CTL2 -0.180000 12.0110 0 7926 DPE 66 DPPE H11R HAL2 0.090000 1.0080 0 7927 DPE 66 DPPE H11S HAL2 0.090000 1.0080 0 7928 DPE 66 DPPE C212 CTL2 -0.180000 12.0110 0 7929 DPE 66 DPPE H12R HAL2 0.090000 1.0080 0 7930 DPE 66 DPPE H12S HAL2 0.090000 1.0080 0 7931 DPE 66 DPPE C213 CTL2 -0.180000 12.0110 0 7932 DPE 66 DPPE H13R HAL2 0.090000 1.0080 0 7933 DPE 66 DPPE H13S HAL2 0.090000 1.0080 0 7934 DPE 66 DPPE C214 CTL2 -0.180000 12.0110 0 7935 DPE 66 DPPE H14R HAL2 0.090000 1.0080 0 7936 DPE 66 DPPE H14S HAL2 0.090000 1.0080 0 7937 DPE 66 DPPE C215 CTL2 -0.180000 12.0110 0 7938 DPE 66 DPPE H15R HAL2 0.090000 1.0080 0 7939 DPE 66 DPPE H15S HAL2 0.090000 1.0080 0 7940 DPE 66 DPPE C216 CTL3 -0.270000 12.0110 0 7941 DPE 66 DPPE H16R HAL3 0.090000 1.0080 0 7942 DPE 66 DPPE H16S HAL3 0.090000 1.0080 0 7943 DPE 66 DPPE H16T HAL3 0.090000 1.0080 0 7944 DPE 66 DPPE C33 CTL2 -0.180000 12.0110 0 7945 DPE 66 DPPE H3X HAL2 0.090000 1.0080 0 7946 DPE 66 DPPE H3Y HAL2 0.090000 1.0080 0 7947 DPE 66 DPPE C34 CTL2 -0.180000 12.0110 0 7948 DPE 66 DPPE H4X HAL2 0.090000 1.0080 0 7949 DPE 66 DPPE H4Y HAL2 0.090000 1.0080 0 7950 DPE 66 DPPE C35 CTL2 -0.180000 12.0110 0 7951 DPE 66 DPPE H5X HAL2 0.090000 1.0080 0 7952 DPE 66 DPPE H5Y HAL2 0.090000 1.0080 0 7953 DPE 66 DPPE C36 CTL2 -0.180000 12.0110 0 7954 DPE 66 DPPE H6X HAL2 0.090000 1.0080 0 7955 DPE 66 DPPE H6Y HAL2 0.090000 1.0080 0 7956 DPE 66 DPPE C37 CTL2 -0.180000 12.0110 0 7957 DPE 66 DPPE H7X HAL2 0.090000 1.0080 0 7958 DPE 66 DPPE H7Y HAL2 0.090000 1.0080 0 7959 DPE 66 DPPE C38 CTL2 -0.180000 12.0110 0 7960 DPE 66 DPPE H8X HAL2 0.090000 1.0080 0 7961 DPE 66 DPPE H8Y HAL2 0.090000 1.0080 0 7962 DPE 66 DPPE C39 CTL2 -0.180000 12.0110 0 7963 DPE 66 DPPE H9X HAL2 0.090000 1.0080 0 7964 DPE 66 DPPE H9Y HAL2 0.090000 1.0080 0 7965 DPE 66 DPPE C310 CTL2 -0.180000 12.0110 0 7966 DPE 66 DPPE H10X HAL2 0.090000 1.0080 0 7967 DPE 66 DPPE H10Y HAL2 0.090000 1.0080 0 7968 DPE 66 DPPE C311 CTL2 -0.180000 12.0110 0 7969 DPE 66 DPPE H11X HAL2 0.090000 1.0080 0 7970 DPE 66 DPPE H11Y HAL2 0.090000 1.0080 0 7971 DPE 66 DPPE C312 CTL2 -0.180000 12.0110 0 7972 DPE 66 DPPE H12X HAL2 0.090000 1.0080 0 7973 DPE 66 DPPE H12Y HAL2 0.090000 1.0080 0 7974 DPE 66 DPPE C313 CTL2 -0.180000 12.0110 0 7975 DPE 66 DPPE H13X HAL2 0.090000 1.0080 0 7976 DPE 66 DPPE H13Y HAL2 0.090000 1.0080 0 7977 DPE 66 DPPE C314 CTL2 -0.180000 12.0110 0 7978 DPE 66 DPPE H14X HAL2 0.090000 1.0080 0 7979 DPE 66 DPPE H14Y HAL2 0.090000 1.0080 0 7980 DPE 66 DPPE C315 CTL2 -0.180000 12.0110 0 7981 DPE 66 DPPE H15X HAL2 0.090000 1.0080 0 7982 DPE 66 DPPE H15Y HAL2 0.090000 1.0080 0 7983 DPE 66 DPPE C316 CTL3 -0.270000 12.0110 0 7984 DPE 66 DPPE H16X HAL3 0.090000 1.0080 0 7985 DPE 66 DPPE H16Y HAL3 0.090000 1.0080 0 7986 DPE 66 DPPE H16Z HAL3 0.090000 1.0080 0 7987 DPE 67 DPPE N NH3L -0.300000 14.0070 0 7988 DPE 67 DPPE HN1 HCL 0.330000 1.0080 0 7989 DPE 67 DPPE HN2 HCL 0.330000 1.0080 0 7990 DPE 67 DPPE HN3 HCL 0.330000 1.0080 0 7991 DPE 67 DPPE C12 CTL2 0.130000 12.0110 0 7992 DPE 67 DPPE H12A HAL2 0.090000 1.0080 0 7993 DPE 67 DPPE H12B HAL2 0.090000 1.0080 0 7994 DPE 67 DPPE C11 CTL2 -0.080000 12.0110 0 7995 DPE 67 DPPE H11A HAL2 0.090000 1.0080 0 7996 DPE 67 DPPE H11B HAL2 0.090000 1.0080 0 7997 DPE 67 DPPE P PL 1.500000 30.9740 0 7998 DPE 67 DPPE O13 O2L -0.780000 15.9994 0 7999 DPE 67 DPPE O14 O2L -0.780000 15.9994 0 8000 DPE 67 DPPE O11 OSL -0.570000 15.9994 0 8001 DPE 67 DPPE O12 OSL -0.570000 15.9994 0 8002 DPE 67 DPPE C1 CTL2 -0.080000 12.0110 0 8003 DPE 67 DPPE HA HAL2 0.090000 1.0080 0 8004 DPE 67 DPPE HB HAL2 0.090000 1.0080 0 8005 DPE 67 DPPE C2 CTL1 0.040000 12.0110 0 8006 DPE 67 DPPE HS HAL1 0.090000 1.0080 0 8007 DPE 67 DPPE O21 OSL -0.340000 15.9994 0 8008 DPE 67 DPPE C21 CL 0.630000 12.0110 0 8009 DPE 67 DPPE O22 OBL -0.520000 15.9994 0 8010 DPE 67 DPPE C22 CTL2 -0.080000 12.0110 0 8011 DPE 67 DPPE H2R HAL2 0.090000 1.0080 0 8012 DPE 67 DPPE H2S HAL2 0.090000 1.0080 0 8013 DPE 67 DPPE C3 CTL2 -0.050000 12.0110 0 8014 DPE 67 DPPE HX HAL2 0.090000 1.0080 0 8015 DPE 67 DPPE HY HAL2 0.090000 1.0080 0 8016 DPE 67 DPPE O31 OSL -0.340000 15.9994 0 8017 DPE 67 DPPE C31 CL 0.630000 12.0110 0 8018 DPE 67 DPPE O32 OBL -0.520000 15.9994 0 8019 DPE 67 DPPE C32 CTL2 -0.080000 12.0110 0 8020 DPE 67 DPPE H2X HAL2 0.090000 1.0080 0 8021 DPE 67 DPPE H2Y HAL2 0.090000 1.0080 0 8022 DPE 67 DPPE C23 CTL2 -0.180000 12.0110 0 8023 DPE 67 DPPE H3R HAL2 0.090000 1.0080 0 8024 DPE 67 DPPE H3S HAL2 0.090000 1.0080 0 8025 DPE 67 DPPE C24 CTL2 -0.180000 12.0110 0 8026 DPE 67 DPPE H4R HAL2 0.090000 1.0080 0 8027 DPE 67 DPPE H4S HAL2 0.090000 1.0080 0 8028 DPE 67 DPPE C25 CTL2 -0.180000 12.0110 0 8029 DPE 67 DPPE H5R HAL2 0.090000 1.0080 0 8030 DPE 67 DPPE H5S HAL2 0.090000 1.0080 0 8031 DPE 67 DPPE C26 CTL2 -0.180000 12.0110 0 8032 DPE 67 DPPE H6R HAL2 0.090000 1.0080 0 8033 DPE 67 DPPE H6S HAL2 0.090000 1.0080 0 8034 DPE 67 DPPE C27 CTL2 -0.180000 12.0110 0 8035 DPE 67 DPPE H7R HAL2 0.090000 1.0080 0 8036 DPE 67 DPPE H7S HAL2 0.090000 1.0080 0 8037 DPE 67 DPPE C28 CTL2 -0.180000 12.0110 0 8038 DPE 67 DPPE H8R HAL2 0.090000 1.0080 0 8039 DPE 67 DPPE H8S HAL2 0.090000 1.0080 0 8040 DPE 67 DPPE C29 CTL2 -0.180000 12.0110 0 8041 DPE 67 DPPE H9R HAL2 0.090000 1.0080 0 8042 DPE 67 DPPE H9S HAL2 0.090000 1.0080 0 8043 DPE 67 DPPE C210 CTL2 -0.180000 12.0110 0 8044 DPE 67 DPPE H10R HAL2 0.090000 1.0080 0 8045 DPE 67 DPPE H10S HAL2 0.090000 1.0080 0 8046 DPE 67 DPPE C211 CTL2 -0.180000 12.0110 0 8047 DPE 67 DPPE H11R HAL2 0.090000 1.0080 0 8048 DPE 67 DPPE H11S HAL2 0.090000 1.0080 0 8049 DPE 67 DPPE C212 CTL2 -0.180000 12.0110 0 8050 DPE 67 DPPE H12R HAL2 0.090000 1.0080 0 8051 DPE 67 DPPE H12S HAL2 0.090000 1.0080 0 8052 DPE 67 DPPE C213 CTL2 -0.180000 12.0110 0 8053 DPE 67 DPPE H13R HAL2 0.090000 1.0080 0 8054 DPE 67 DPPE H13S HAL2 0.090000 1.0080 0 8055 DPE 67 DPPE C214 CTL2 -0.180000 12.0110 0 8056 DPE 67 DPPE H14R HAL2 0.090000 1.0080 0 8057 DPE 67 DPPE H14S HAL2 0.090000 1.0080 0 8058 DPE 67 DPPE C215 CTL2 -0.180000 12.0110 0 8059 DPE 67 DPPE H15R HAL2 0.090000 1.0080 0 8060 DPE 67 DPPE H15S HAL2 0.090000 1.0080 0 8061 DPE 67 DPPE C216 CTL3 -0.270000 12.0110 0 8062 DPE 67 DPPE H16R HAL3 0.090000 1.0080 0 8063 DPE 67 DPPE H16S HAL3 0.090000 1.0080 0 8064 DPE 67 DPPE H16T HAL3 0.090000 1.0080 0 8065 DPE 67 DPPE C33 CTL2 -0.180000 12.0110 0 8066 DPE 67 DPPE H3X HAL2 0.090000 1.0080 0 8067 DPE 67 DPPE H3Y HAL2 0.090000 1.0080 0 8068 DPE 67 DPPE C34 CTL2 -0.180000 12.0110 0 8069 DPE 67 DPPE H4X HAL2 0.090000 1.0080 0 8070 DPE 67 DPPE H4Y HAL2 0.090000 1.0080 0 8071 DPE 67 DPPE C35 CTL2 -0.180000 12.0110 0 8072 DPE 67 DPPE H5X HAL2 0.090000 1.0080 0 8073 DPE 67 DPPE H5Y HAL2 0.090000 1.0080 0 8074 DPE 67 DPPE C36 CTL2 -0.180000 12.0110 0 8075 DPE 67 DPPE H6X HAL2 0.090000 1.0080 0 8076 DPE 67 DPPE H6Y HAL2 0.090000 1.0080 0 8077 DPE 67 DPPE C37 CTL2 -0.180000 12.0110 0 8078 DPE 67 DPPE H7X HAL2 0.090000 1.0080 0 8079 DPE 67 DPPE H7Y HAL2 0.090000 1.0080 0 8080 DPE 67 DPPE C38 CTL2 -0.180000 12.0110 0 8081 DPE 67 DPPE H8X HAL2 0.090000 1.0080 0 8082 DPE 67 DPPE H8Y HAL2 0.090000 1.0080 0 8083 DPE 67 DPPE C39 CTL2 -0.180000 12.0110 0 8084 DPE 67 DPPE H9X HAL2 0.090000 1.0080 0 8085 DPE 67 DPPE H9Y HAL2 0.090000 1.0080 0 8086 DPE 67 DPPE C310 CTL2 -0.180000 12.0110 0 8087 DPE 67 DPPE H10X HAL2 0.090000 1.0080 0 8088 DPE 67 DPPE H10Y HAL2 0.090000 1.0080 0 8089 DPE 67 DPPE C311 CTL2 -0.180000 12.0110 0 8090 DPE 67 DPPE H11X HAL2 0.090000 1.0080 0 8091 DPE 67 DPPE H11Y HAL2 0.090000 1.0080 0 8092 DPE 67 DPPE C312 CTL2 -0.180000 12.0110 0 8093 DPE 67 DPPE H12X HAL2 0.090000 1.0080 0 8094 DPE 67 DPPE H12Y HAL2 0.090000 1.0080 0 8095 DPE 67 DPPE C313 CTL2 -0.180000 12.0110 0 8096 DPE 67 DPPE H13X HAL2 0.090000 1.0080 0 8097 DPE 67 DPPE H13Y HAL2 0.090000 1.0080 0 8098 DPE 67 DPPE C314 CTL2 -0.180000 12.0110 0 8099 DPE 67 DPPE H14X HAL2 0.090000 1.0080 0 8100 DPE 67 DPPE H14Y HAL2 0.090000 1.0080 0 8101 DPE 67 DPPE C315 CTL2 -0.180000 12.0110 0 8102 DPE 67 DPPE H15X HAL2 0.090000 1.0080 0 8103 DPE 67 DPPE H15Y HAL2 0.090000 1.0080 0 8104 DPE 67 DPPE C316 CTL3 -0.270000 12.0110 0 8105 DPE 67 DPPE H16X HAL3 0.090000 1.0080 0 8106 DPE 67 DPPE H16Y HAL3 0.090000 1.0080 0 8107 DPE 67 DPPE H16Z HAL3 0.090000 1.0080 0 8108 DPE 68 DPPE N NH3L -0.300000 14.0070 0 8109 DPE 68 DPPE HN1 HCL 0.330000 1.0080 0 8110 DPE 68 DPPE HN2 HCL 0.330000 1.0080 0 8111 DPE 68 DPPE HN3 HCL 0.330000 1.0080 0 8112 DPE 68 DPPE C12 CTL2 0.130000 12.0110 0 8113 DPE 68 DPPE H12A HAL2 0.090000 1.0080 0 8114 DPE 68 DPPE H12B HAL2 0.090000 1.0080 0 8115 DPE 68 DPPE C11 CTL2 -0.080000 12.0110 0 8116 DPE 68 DPPE H11A HAL2 0.090000 1.0080 0 8117 DPE 68 DPPE H11B HAL2 0.090000 1.0080 0 8118 DPE 68 DPPE P PL 1.500000 30.9740 0 8119 DPE 68 DPPE O13 O2L -0.780000 15.9994 0 8120 DPE 68 DPPE O14 O2L -0.780000 15.9994 0 8121 DPE 68 DPPE O11 OSL -0.570000 15.9994 0 8122 DPE 68 DPPE O12 OSL -0.570000 15.9994 0 8123 DPE 68 DPPE C1 CTL2 -0.080000 12.0110 0 8124 DPE 68 DPPE HA HAL2 0.090000 1.0080 0 8125 DPE 68 DPPE HB HAL2 0.090000 1.0080 0 8126 DPE 68 DPPE C2 CTL1 0.040000 12.0110 0 8127 DPE 68 DPPE HS HAL1 0.090000 1.0080 0 8128 DPE 68 DPPE O21 OSL -0.340000 15.9994 0 8129 DPE 68 DPPE C21 CL 0.630000 12.0110 0 8130 DPE 68 DPPE O22 OBL -0.520000 15.9994 0 8131 DPE 68 DPPE C22 CTL2 -0.080000 12.0110 0 8132 DPE 68 DPPE H2R HAL2 0.090000 1.0080 0 8133 DPE 68 DPPE H2S HAL2 0.090000 1.0080 0 8134 DPE 68 DPPE C3 CTL2 -0.050000 12.0110 0 8135 DPE 68 DPPE HX HAL2 0.090000 1.0080 0 8136 DPE 68 DPPE HY HAL2 0.090000 1.0080 0 8137 DPE 68 DPPE O31 OSL -0.340000 15.9994 0 8138 DPE 68 DPPE C31 CL 0.630000 12.0110 0 8139 DPE 68 DPPE O32 OBL -0.520000 15.9994 0 8140 DPE 68 DPPE C32 CTL2 -0.080000 12.0110 0 8141 DPE 68 DPPE H2X HAL2 0.090000 1.0080 0 8142 DPE 68 DPPE H2Y HAL2 0.090000 1.0080 0 8143 DPE 68 DPPE C23 CTL2 -0.180000 12.0110 0 8144 DPE 68 DPPE H3R HAL2 0.090000 1.0080 0 8145 DPE 68 DPPE H3S HAL2 0.090000 1.0080 0 8146 DPE 68 DPPE C24 CTL2 -0.180000 12.0110 0 8147 DPE 68 DPPE H4R HAL2 0.090000 1.0080 0 8148 DPE 68 DPPE H4S HAL2 0.090000 1.0080 0 8149 DPE 68 DPPE C25 CTL2 -0.180000 12.0110 0 8150 DPE 68 DPPE H5R HAL2 0.090000 1.0080 0 8151 DPE 68 DPPE H5S HAL2 0.090000 1.0080 0 8152 DPE 68 DPPE C26 CTL2 -0.180000 12.0110 0 8153 DPE 68 DPPE H6R HAL2 0.090000 1.0080 0 8154 DPE 68 DPPE H6S HAL2 0.090000 1.0080 0 8155 DPE 68 DPPE C27 CTL2 -0.180000 12.0110 0 8156 DPE 68 DPPE H7R HAL2 0.090000 1.0080 0 8157 DPE 68 DPPE H7S HAL2 0.090000 1.0080 0 8158 DPE 68 DPPE C28 CTL2 -0.180000 12.0110 0 8159 DPE 68 DPPE H8R HAL2 0.090000 1.0080 0 8160 DPE 68 DPPE H8S HAL2 0.090000 1.0080 0 8161 DPE 68 DPPE C29 CTL2 -0.180000 12.0110 0 8162 DPE 68 DPPE H9R HAL2 0.090000 1.0080 0 8163 DPE 68 DPPE H9S HAL2 0.090000 1.0080 0 8164 DPE 68 DPPE C210 CTL2 -0.180000 12.0110 0 8165 DPE 68 DPPE H10R HAL2 0.090000 1.0080 0 8166 DPE 68 DPPE H10S HAL2 0.090000 1.0080 0 8167 DPE 68 DPPE C211 CTL2 -0.180000 12.0110 0 8168 DPE 68 DPPE H11R HAL2 0.090000 1.0080 0 8169 DPE 68 DPPE H11S HAL2 0.090000 1.0080 0 8170 DPE 68 DPPE C212 CTL2 -0.180000 12.0110 0 8171 DPE 68 DPPE H12R HAL2 0.090000 1.0080 0 8172 DPE 68 DPPE H12S HAL2 0.090000 1.0080 0 8173 DPE 68 DPPE C213 CTL2 -0.180000 12.0110 0 8174 DPE 68 DPPE H13R HAL2 0.090000 1.0080 0 8175 DPE 68 DPPE H13S HAL2 0.090000 1.0080 0 8176 DPE 68 DPPE C214 CTL2 -0.180000 12.0110 0 8177 DPE 68 DPPE H14R HAL2 0.090000 1.0080 0 8178 DPE 68 DPPE H14S HAL2 0.090000 1.0080 0 8179 DPE 68 DPPE C215 CTL2 -0.180000 12.0110 0 8180 DPE 68 DPPE H15R HAL2 0.090000 1.0080 0 8181 DPE 68 DPPE H15S HAL2 0.090000 1.0080 0 8182 DPE 68 DPPE C216 CTL3 -0.270000 12.0110 0 8183 DPE 68 DPPE H16R HAL3 0.090000 1.0080 0 8184 DPE 68 DPPE H16S HAL3 0.090000 1.0080 0 8185 DPE 68 DPPE H16T HAL3 0.090000 1.0080 0 8186 DPE 68 DPPE C33 CTL2 -0.180000 12.0110 0 8187 DPE 68 DPPE H3X HAL2 0.090000 1.0080 0 8188 DPE 68 DPPE H3Y HAL2 0.090000 1.0080 0 8189 DPE 68 DPPE C34 CTL2 -0.180000 12.0110 0 8190 DPE 68 DPPE H4X HAL2 0.090000 1.0080 0 8191 DPE 68 DPPE H4Y HAL2 0.090000 1.0080 0 8192 DPE 68 DPPE C35 CTL2 -0.180000 12.0110 0 8193 DPE 68 DPPE H5X HAL2 0.090000 1.0080 0 8194 DPE 68 DPPE H5Y HAL2 0.090000 1.0080 0 8195 DPE 68 DPPE C36 CTL2 -0.180000 12.0110 0 8196 DPE 68 DPPE H6X HAL2 0.090000 1.0080 0 8197 DPE 68 DPPE H6Y HAL2 0.090000 1.0080 0 8198 DPE 68 DPPE C37 CTL2 -0.180000 12.0110 0 8199 DPE 68 DPPE H7X HAL2 0.090000 1.0080 0 8200 DPE 68 DPPE H7Y HAL2 0.090000 1.0080 0 8201 DPE 68 DPPE C38 CTL2 -0.180000 12.0110 0 8202 DPE 68 DPPE H8X HAL2 0.090000 1.0080 0 8203 DPE 68 DPPE H8Y HAL2 0.090000 1.0080 0 8204 DPE 68 DPPE C39 CTL2 -0.180000 12.0110 0 8205 DPE 68 DPPE H9X HAL2 0.090000 1.0080 0 8206 DPE 68 DPPE H9Y HAL2 0.090000 1.0080 0 8207 DPE 68 DPPE C310 CTL2 -0.180000 12.0110 0 8208 DPE 68 DPPE H10X HAL2 0.090000 1.0080 0 8209 DPE 68 DPPE H10Y HAL2 0.090000 1.0080 0 8210 DPE 68 DPPE C311 CTL2 -0.180000 12.0110 0 8211 DPE 68 DPPE H11X HAL2 0.090000 1.0080 0 8212 DPE 68 DPPE H11Y HAL2 0.090000 1.0080 0 8213 DPE 68 DPPE C312 CTL2 -0.180000 12.0110 0 8214 DPE 68 DPPE H12X HAL2 0.090000 1.0080 0 8215 DPE 68 DPPE H12Y HAL2 0.090000 1.0080 0 8216 DPE 68 DPPE C313 CTL2 -0.180000 12.0110 0 8217 DPE 68 DPPE H13X HAL2 0.090000 1.0080 0 8218 DPE 68 DPPE H13Y HAL2 0.090000 1.0080 0 8219 DPE 68 DPPE C314 CTL2 -0.180000 12.0110 0 8220 DPE 68 DPPE H14X HAL2 0.090000 1.0080 0 8221 DPE 68 DPPE H14Y HAL2 0.090000 1.0080 0 8222 DPE 68 DPPE C315 CTL2 -0.180000 12.0110 0 8223 DPE 68 DPPE H15X HAL2 0.090000 1.0080 0 8224 DPE 68 DPPE H15Y HAL2 0.090000 1.0080 0 8225 DPE 68 DPPE C316 CTL3 -0.270000 12.0110 0 8226 DPE 68 DPPE H16X HAL3 0.090000 1.0080 0 8227 DPE 68 DPPE H16Y HAL3 0.090000 1.0080 0 8228 DPE 68 DPPE H16Z HAL3 0.090000 1.0080 0 8229 DPE 69 DPPE N NH3L -0.300000 14.0070 0 8230 DPE 69 DPPE HN1 HCL 0.330000 1.0080 0 8231 DPE 69 DPPE HN2 HCL 0.330000 1.0080 0 8232 DPE 69 DPPE HN3 HCL 0.330000 1.0080 0 8233 DPE 69 DPPE C12 CTL2 0.130000 12.0110 0 8234 DPE 69 DPPE H12A HAL2 0.090000 1.0080 0 8235 DPE 69 DPPE H12B HAL2 0.090000 1.0080 0 8236 DPE 69 DPPE C11 CTL2 -0.080000 12.0110 0 8237 DPE 69 DPPE H11A HAL2 0.090000 1.0080 0 8238 DPE 69 DPPE H11B HAL2 0.090000 1.0080 0 8239 DPE 69 DPPE P PL 1.500000 30.9740 0 8240 DPE 69 DPPE O13 O2L -0.780000 15.9994 0 8241 DPE 69 DPPE O14 O2L -0.780000 15.9994 0 8242 DPE 69 DPPE O11 OSL -0.570000 15.9994 0 8243 DPE 69 DPPE O12 OSL -0.570000 15.9994 0 8244 DPE 69 DPPE C1 CTL2 -0.080000 12.0110 0 8245 DPE 69 DPPE HA HAL2 0.090000 1.0080 0 8246 DPE 69 DPPE HB HAL2 0.090000 1.0080 0 8247 DPE 69 DPPE C2 CTL1 0.040000 12.0110 0 8248 DPE 69 DPPE HS HAL1 0.090000 1.0080 0 8249 DPE 69 DPPE O21 OSL -0.340000 15.9994 0 8250 DPE 69 DPPE C21 CL 0.630000 12.0110 0 8251 DPE 69 DPPE O22 OBL -0.520000 15.9994 0 8252 DPE 69 DPPE C22 CTL2 -0.080000 12.0110 0 8253 DPE 69 DPPE H2R HAL2 0.090000 1.0080 0 8254 DPE 69 DPPE H2S HAL2 0.090000 1.0080 0 8255 DPE 69 DPPE C3 CTL2 -0.050000 12.0110 0 8256 DPE 69 DPPE HX HAL2 0.090000 1.0080 0 8257 DPE 69 DPPE HY HAL2 0.090000 1.0080 0 8258 DPE 69 DPPE O31 OSL -0.340000 15.9994 0 8259 DPE 69 DPPE C31 CL 0.630000 12.0110 0 8260 DPE 69 DPPE O32 OBL -0.520000 15.9994 0 8261 DPE 69 DPPE C32 CTL2 -0.080000 12.0110 0 8262 DPE 69 DPPE H2X HAL2 0.090000 1.0080 0 8263 DPE 69 DPPE H2Y HAL2 0.090000 1.0080 0 8264 DPE 69 DPPE C23 CTL2 -0.180000 12.0110 0 8265 DPE 69 DPPE H3R HAL2 0.090000 1.0080 0 8266 DPE 69 DPPE H3S HAL2 0.090000 1.0080 0 8267 DPE 69 DPPE C24 CTL2 -0.180000 12.0110 0 8268 DPE 69 DPPE H4R HAL2 0.090000 1.0080 0 8269 DPE 69 DPPE H4S HAL2 0.090000 1.0080 0 8270 DPE 69 DPPE C25 CTL2 -0.180000 12.0110 0 8271 DPE 69 DPPE H5R HAL2 0.090000 1.0080 0 8272 DPE 69 DPPE H5S HAL2 0.090000 1.0080 0 8273 DPE 69 DPPE C26 CTL2 -0.180000 12.0110 0 8274 DPE 69 DPPE H6R HAL2 0.090000 1.0080 0 8275 DPE 69 DPPE H6S HAL2 0.090000 1.0080 0 8276 DPE 69 DPPE C27 CTL2 -0.180000 12.0110 0 8277 DPE 69 DPPE H7R HAL2 0.090000 1.0080 0 8278 DPE 69 DPPE H7S HAL2 0.090000 1.0080 0 8279 DPE 69 DPPE C28 CTL2 -0.180000 12.0110 0 8280 DPE 69 DPPE H8R HAL2 0.090000 1.0080 0 8281 DPE 69 DPPE H8S HAL2 0.090000 1.0080 0 8282 DPE 69 DPPE C29 CTL2 -0.180000 12.0110 0 8283 DPE 69 DPPE H9R HAL2 0.090000 1.0080 0 8284 DPE 69 DPPE H9S HAL2 0.090000 1.0080 0 8285 DPE 69 DPPE C210 CTL2 -0.180000 12.0110 0 8286 DPE 69 DPPE H10R HAL2 0.090000 1.0080 0 8287 DPE 69 DPPE H10S HAL2 0.090000 1.0080 0 8288 DPE 69 DPPE C211 CTL2 -0.180000 12.0110 0 8289 DPE 69 DPPE H11R HAL2 0.090000 1.0080 0 8290 DPE 69 DPPE H11S HAL2 0.090000 1.0080 0 8291 DPE 69 DPPE C212 CTL2 -0.180000 12.0110 0 8292 DPE 69 DPPE H12R HAL2 0.090000 1.0080 0 8293 DPE 69 DPPE H12S HAL2 0.090000 1.0080 0 8294 DPE 69 DPPE C213 CTL2 -0.180000 12.0110 0 8295 DPE 69 DPPE H13R HAL2 0.090000 1.0080 0 8296 DPE 69 DPPE H13S HAL2 0.090000 1.0080 0 8297 DPE 69 DPPE C214 CTL2 -0.180000 12.0110 0 8298 DPE 69 DPPE H14R HAL2 0.090000 1.0080 0 8299 DPE 69 DPPE H14S HAL2 0.090000 1.0080 0 8300 DPE 69 DPPE C215 CTL2 -0.180000 12.0110 0 8301 DPE 69 DPPE H15R HAL2 0.090000 1.0080 0 8302 DPE 69 DPPE H15S HAL2 0.090000 1.0080 0 8303 DPE 69 DPPE C216 CTL3 -0.270000 12.0110 0 8304 DPE 69 DPPE H16R HAL3 0.090000 1.0080 0 8305 DPE 69 DPPE H16S HAL3 0.090000 1.0080 0 8306 DPE 69 DPPE H16T HAL3 0.090000 1.0080 0 8307 DPE 69 DPPE C33 CTL2 -0.180000 12.0110 0 8308 DPE 69 DPPE H3X HAL2 0.090000 1.0080 0 8309 DPE 69 DPPE H3Y HAL2 0.090000 1.0080 0 8310 DPE 69 DPPE C34 CTL2 -0.180000 12.0110 0 8311 DPE 69 DPPE H4X HAL2 0.090000 1.0080 0 8312 DPE 69 DPPE H4Y HAL2 0.090000 1.0080 0 8313 DPE 69 DPPE C35 CTL2 -0.180000 12.0110 0 8314 DPE 69 DPPE H5X HAL2 0.090000 1.0080 0 8315 DPE 69 DPPE H5Y HAL2 0.090000 1.0080 0 8316 DPE 69 DPPE C36 CTL2 -0.180000 12.0110 0 8317 DPE 69 DPPE H6X HAL2 0.090000 1.0080 0 8318 DPE 69 DPPE H6Y HAL2 0.090000 1.0080 0 8319 DPE 69 DPPE C37 CTL2 -0.180000 12.0110 0 8320 DPE 69 DPPE H7X HAL2 0.090000 1.0080 0 8321 DPE 69 DPPE H7Y HAL2 0.090000 1.0080 0 8322 DPE 69 DPPE C38 CTL2 -0.180000 12.0110 0 8323 DPE 69 DPPE H8X HAL2 0.090000 1.0080 0 8324 DPE 69 DPPE H8Y HAL2 0.090000 1.0080 0 8325 DPE 69 DPPE C39 CTL2 -0.180000 12.0110 0 8326 DPE 69 DPPE H9X HAL2 0.090000 1.0080 0 8327 DPE 69 DPPE H9Y HAL2 0.090000 1.0080 0 8328 DPE 69 DPPE C310 CTL2 -0.180000 12.0110 0 8329 DPE 69 DPPE H10X HAL2 0.090000 1.0080 0 8330 DPE 69 DPPE H10Y HAL2 0.090000 1.0080 0 8331 DPE 69 DPPE C311 CTL2 -0.180000 12.0110 0 8332 DPE 69 DPPE H11X HAL2 0.090000 1.0080 0 8333 DPE 69 DPPE H11Y HAL2 0.090000 1.0080 0 8334 DPE 69 DPPE C312 CTL2 -0.180000 12.0110 0 8335 DPE 69 DPPE H12X HAL2 0.090000 1.0080 0 8336 DPE 69 DPPE H12Y HAL2 0.090000 1.0080 0 8337 DPE 69 DPPE C313 CTL2 -0.180000 12.0110 0 8338 DPE 69 DPPE H13X HAL2 0.090000 1.0080 0 8339 DPE 69 DPPE H13Y HAL2 0.090000 1.0080 0 8340 DPE 69 DPPE C314 CTL2 -0.180000 12.0110 0 8341 DPE 69 DPPE H14X HAL2 0.090000 1.0080 0 8342 DPE 69 DPPE H14Y HAL2 0.090000 1.0080 0 8343 DPE 69 DPPE C315 CTL2 -0.180000 12.0110 0 8344 DPE 69 DPPE H15X HAL2 0.090000 1.0080 0 8345 DPE 69 DPPE H15Y HAL2 0.090000 1.0080 0 8346 DPE 69 DPPE C316 CTL3 -0.270000 12.0110 0 8347 DPE 69 DPPE H16X HAL3 0.090000 1.0080 0 8348 DPE 69 DPPE H16Y HAL3 0.090000 1.0080 0 8349 DPE 69 DPPE H16Z HAL3 0.090000 1.0080 0 8350 DPE 70 DPPE N NH3L -0.300000 14.0070 0 8351 DPE 70 DPPE HN1 HCL 0.330000 1.0080 0 8352 DPE 70 DPPE HN2 HCL 0.330000 1.0080 0 8353 DPE 70 DPPE HN3 HCL 0.330000 1.0080 0 8354 DPE 70 DPPE C12 CTL2 0.130000 12.0110 0 8355 DPE 70 DPPE H12A HAL2 0.090000 1.0080 0 8356 DPE 70 DPPE H12B HAL2 0.090000 1.0080 0 8357 DPE 70 DPPE C11 CTL2 -0.080000 12.0110 0 8358 DPE 70 DPPE H11A HAL2 0.090000 1.0080 0 8359 DPE 70 DPPE H11B HAL2 0.090000 1.0080 0 8360 DPE 70 DPPE P PL 1.500000 30.9740 0 8361 DPE 70 DPPE O13 O2L -0.780000 15.9994 0 8362 DPE 70 DPPE O14 O2L -0.780000 15.9994 0 8363 DPE 70 DPPE O11 OSL -0.570000 15.9994 0 8364 DPE 70 DPPE O12 OSL -0.570000 15.9994 0 8365 DPE 70 DPPE C1 CTL2 -0.080000 12.0110 0 8366 DPE 70 DPPE HA HAL2 0.090000 1.0080 0 8367 DPE 70 DPPE HB HAL2 0.090000 1.0080 0 8368 DPE 70 DPPE C2 CTL1 0.040000 12.0110 0 8369 DPE 70 DPPE HS HAL1 0.090000 1.0080 0 8370 DPE 70 DPPE O21 OSL -0.340000 15.9994 0 8371 DPE 70 DPPE C21 CL 0.630000 12.0110 0 8372 DPE 70 DPPE O22 OBL -0.520000 15.9994 0 8373 DPE 70 DPPE C22 CTL2 -0.080000 12.0110 0 8374 DPE 70 DPPE H2R HAL2 0.090000 1.0080 0 8375 DPE 70 DPPE H2S HAL2 0.090000 1.0080 0 8376 DPE 70 DPPE C3 CTL2 -0.050000 12.0110 0 8377 DPE 70 DPPE HX HAL2 0.090000 1.0080 0 8378 DPE 70 DPPE HY HAL2 0.090000 1.0080 0 8379 DPE 70 DPPE O31 OSL -0.340000 15.9994 0 8380 DPE 70 DPPE C31 CL 0.630000 12.0110 0 8381 DPE 70 DPPE O32 OBL -0.520000 15.9994 0 8382 DPE 70 DPPE C32 CTL2 -0.080000 12.0110 0 8383 DPE 70 DPPE H2X HAL2 0.090000 1.0080 0 8384 DPE 70 DPPE H2Y HAL2 0.090000 1.0080 0 8385 DPE 70 DPPE C23 CTL2 -0.180000 12.0110 0 8386 DPE 70 DPPE H3R HAL2 0.090000 1.0080 0 8387 DPE 70 DPPE H3S HAL2 0.090000 1.0080 0 8388 DPE 70 DPPE C24 CTL2 -0.180000 12.0110 0 8389 DPE 70 DPPE H4R HAL2 0.090000 1.0080 0 8390 DPE 70 DPPE H4S HAL2 0.090000 1.0080 0 8391 DPE 70 DPPE C25 CTL2 -0.180000 12.0110 0 8392 DPE 70 DPPE H5R HAL2 0.090000 1.0080 0 8393 DPE 70 DPPE H5S HAL2 0.090000 1.0080 0 8394 DPE 70 DPPE C26 CTL2 -0.180000 12.0110 0 8395 DPE 70 DPPE H6R HAL2 0.090000 1.0080 0 8396 DPE 70 DPPE H6S HAL2 0.090000 1.0080 0 8397 DPE 70 DPPE C27 CTL2 -0.180000 12.0110 0 8398 DPE 70 DPPE H7R HAL2 0.090000 1.0080 0 8399 DPE 70 DPPE H7S HAL2 0.090000 1.0080 0 8400 DPE 70 DPPE C28 CTL2 -0.180000 12.0110 0 8401 DPE 70 DPPE H8R HAL2 0.090000 1.0080 0 8402 DPE 70 DPPE H8S HAL2 0.090000 1.0080 0 8403 DPE 70 DPPE C29 CTL2 -0.180000 12.0110 0 8404 DPE 70 DPPE H9R HAL2 0.090000 1.0080 0 8405 DPE 70 DPPE H9S HAL2 0.090000 1.0080 0 8406 DPE 70 DPPE C210 CTL2 -0.180000 12.0110 0 8407 DPE 70 DPPE H10R HAL2 0.090000 1.0080 0 8408 DPE 70 DPPE H10S HAL2 0.090000 1.0080 0 8409 DPE 70 DPPE C211 CTL2 -0.180000 12.0110 0 8410 DPE 70 DPPE H11R HAL2 0.090000 1.0080 0 8411 DPE 70 DPPE H11S HAL2 0.090000 1.0080 0 8412 DPE 70 DPPE C212 CTL2 -0.180000 12.0110 0 8413 DPE 70 DPPE H12R HAL2 0.090000 1.0080 0 8414 DPE 70 DPPE H12S HAL2 0.090000 1.0080 0 8415 DPE 70 DPPE C213 CTL2 -0.180000 12.0110 0 8416 DPE 70 DPPE H13R HAL2 0.090000 1.0080 0 8417 DPE 70 DPPE H13S HAL2 0.090000 1.0080 0 8418 DPE 70 DPPE C214 CTL2 -0.180000 12.0110 0 8419 DPE 70 DPPE H14R HAL2 0.090000 1.0080 0 8420 DPE 70 DPPE H14S HAL2 0.090000 1.0080 0 8421 DPE 70 DPPE C215 CTL2 -0.180000 12.0110 0 8422 DPE 70 DPPE H15R HAL2 0.090000 1.0080 0 8423 DPE 70 DPPE H15S HAL2 0.090000 1.0080 0 8424 DPE 70 DPPE C216 CTL3 -0.270000 12.0110 0 8425 DPE 70 DPPE H16R HAL3 0.090000 1.0080 0 8426 DPE 70 DPPE H16S HAL3 0.090000 1.0080 0 8427 DPE 70 DPPE H16T HAL3 0.090000 1.0080 0 8428 DPE 70 DPPE C33 CTL2 -0.180000 12.0110 0 8429 DPE 70 DPPE H3X HAL2 0.090000 1.0080 0 8430 DPE 70 DPPE H3Y HAL2 0.090000 1.0080 0 8431 DPE 70 DPPE C34 CTL2 -0.180000 12.0110 0 8432 DPE 70 DPPE H4X HAL2 0.090000 1.0080 0 8433 DPE 70 DPPE H4Y HAL2 0.090000 1.0080 0 8434 DPE 70 DPPE C35 CTL2 -0.180000 12.0110 0 8435 DPE 70 DPPE H5X HAL2 0.090000 1.0080 0 8436 DPE 70 DPPE H5Y HAL2 0.090000 1.0080 0 8437 DPE 70 DPPE C36 CTL2 -0.180000 12.0110 0 8438 DPE 70 DPPE H6X HAL2 0.090000 1.0080 0 8439 DPE 70 DPPE H6Y HAL2 0.090000 1.0080 0 8440 DPE 70 DPPE C37 CTL2 -0.180000 12.0110 0 8441 DPE 70 DPPE H7X HAL2 0.090000 1.0080 0 8442 DPE 70 DPPE H7Y HAL2 0.090000 1.0080 0 8443 DPE 70 DPPE C38 CTL2 -0.180000 12.0110 0 8444 DPE 70 DPPE H8X HAL2 0.090000 1.0080 0 8445 DPE 70 DPPE H8Y HAL2 0.090000 1.0080 0 8446 DPE 70 DPPE C39 CTL2 -0.180000 12.0110 0 8447 DPE 70 DPPE H9X HAL2 0.090000 1.0080 0 8448 DPE 70 DPPE H9Y HAL2 0.090000 1.0080 0 8449 DPE 70 DPPE C310 CTL2 -0.180000 12.0110 0 8450 DPE 70 DPPE H10X HAL2 0.090000 1.0080 0 8451 DPE 70 DPPE H10Y HAL2 0.090000 1.0080 0 8452 DPE 70 DPPE C311 CTL2 -0.180000 12.0110 0 8453 DPE 70 DPPE H11X HAL2 0.090000 1.0080 0 8454 DPE 70 DPPE H11Y HAL2 0.090000 1.0080 0 8455 DPE 70 DPPE C312 CTL2 -0.180000 12.0110 0 8456 DPE 70 DPPE H12X HAL2 0.090000 1.0080 0 8457 DPE 70 DPPE H12Y HAL2 0.090000 1.0080 0 8458 DPE 70 DPPE C313 CTL2 -0.180000 12.0110 0 8459 DPE 70 DPPE H13X HAL2 0.090000 1.0080 0 8460 DPE 70 DPPE H13Y HAL2 0.090000 1.0080 0 8461 DPE 70 DPPE C314 CTL2 -0.180000 12.0110 0 8462 DPE 70 DPPE H14X HAL2 0.090000 1.0080 0 8463 DPE 70 DPPE H14Y HAL2 0.090000 1.0080 0 8464 DPE 70 DPPE C315 CTL2 -0.180000 12.0110 0 8465 DPE 70 DPPE H15X HAL2 0.090000 1.0080 0 8466 DPE 70 DPPE H15Y HAL2 0.090000 1.0080 0 8467 DPE 70 DPPE C316 CTL3 -0.270000 12.0110 0 8468 DPE 70 DPPE H16X HAL3 0.090000 1.0080 0 8469 DPE 70 DPPE H16Y HAL3 0.090000 1.0080 0 8470 DPE 70 DPPE H16Z HAL3 0.090000 1.0080 0 8471 DPE 71 DPPE N NH3L -0.300000 14.0070 0 8472 DPE 71 DPPE HN1 HCL 0.330000 1.0080 0 8473 DPE 71 DPPE HN2 HCL 0.330000 1.0080 0 8474 DPE 71 DPPE HN3 HCL 0.330000 1.0080 0 8475 DPE 71 DPPE C12 CTL2 0.130000 12.0110 0 8476 DPE 71 DPPE H12A HAL2 0.090000 1.0080 0 8477 DPE 71 DPPE H12B HAL2 0.090000 1.0080 0 8478 DPE 71 DPPE C11 CTL2 -0.080000 12.0110 0 8479 DPE 71 DPPE H11A HAL2 0.090000 1.0080 0 8480 DPE 71 DPPE H11B HAL2 0.090000 1.0080 0 8481 DPE 71 DPPE P PL 1.500000 30.9740 0 8482 DPE 71 DPPE O13 O2L -0.780000 15.9994 0 8483 DPE 71 DPPE O14 O2L -0.780000 15.9994 0 8484 DPE 71 DPPE O11 OSL -0.570000 15.9994 0 8485 DPE 71 DPPE O12 OSL -0.570000 15.9994 0 8486 DPE 71 DPPE C1 CTL2 -0.080000 12.0110 0 8487 DPE 71 DPPE HA HAL2 0.090000 1.0080 0 8488 DPE 71 DPPE HB HAL2 0.090000 1.0080 0 8489 DPE 71 DPPE C2 CTL1 0.040000 12.0110 0 8490 DPE 71 DPPE HS HAL1 0.090000 1.0080 0 8491 DPE 71 DPPE O21 OSL -0.340000 15.9994 0 8492 DPE 71 DPPE C21 CL 0.630000 12.0110 0 8493 DPE 71 DPPE O22 OBL -0.520000 15.9994 0 8494 DPE 71 DPPE C22 CTL2 -0.080000 12.0110 0 8495 DPE 71 DPPE H2R HAL2 0.090000 1.0080 0 8496 DPE 71 DPPE H2S HAL2 0.090000 1.0080 0 8497 DPE 71 DPPE C3 CTL2 -0.050000 12.0110 0 8498 DPE 71 DPPE HX HAL2 0.090000 1.0080 0 8499 DPE 71 DPPE HY HAL2 0.090000 1.0080 0 8500 DPE 71 DPPE O31 OSL -0.340000 15.9994 0 8501 DPE 71 DPPE C31 CL 0.630000 12.0110 0 8502 DPE 71 DPPE O32 OBL -0.520000 15.9994 0 8503 DPE 71 DPPE C32 CTL2 -0.080000 12.0110 0 8504 DPE 71 DPPE H2X HAL2 0.090000 1.0080 0 8505 DPE 71 DPPE H2Y HAL2 0.090000 1.0080 0 8506 DPE 71 DPPE C23 CTL2 -0.180000 12.0110 0 8507 DPE 71 DPPE H3R HAL2 0.090000 1.0080 0 8508 DPE 71 DPPE H3S HAL2 0.090000 1.0080 0 8509 DPE 71 DPPE C24 CTL2 -0.180000 12.0110 0 8510 DPE 71 DPPE H4R HAL2 0.090000 1.0080 0 8511 DPE 71 DPPE H4S HAL2 0.090000 1.0080 0 8512 DPE 71 DPPE C25 CTL2 -0.180000 12.0110 0 8513 DPE 71 DPPE H5R HAL2 0.090000 1.0080 0 8514 DPE 71 DPPE H5S HAL2 0.090000 1.0080 0 8515 DPE 71 DPPE C26 CTL2 -0.180000 12.0110 0 8516 DPE 71 DPPE H6R HAL2 0.090000 1.0080 0 8517 DPE 71 DPPE H6S HAL2 0.090000 1.0080 0 8518 DPE 71 DPPE C27 CTL2 -0.180000 12.0110 0 8519 DPE 71 DPPE H7R HAL2 0.090000 1.0080 0 8520 DPE 71 DPPE H7S HAL2 0.090000 1.0080 0 8521 DPE 71 DPPE C28 CTL2 -0.180000 12.0110 0 8522 DPE 71 DPPE H8R HAL2 0.090000 1.0080 0 8523 DPE 71 DPPE H8S HAL2 0.090000 1.0080 0 8524 DPE 71 DPPE C29 CTL2 -0.180000 12.0110 0 8525 DPE 71 DPPE H9R HAL2 0.090000 1.0080 0 8526 DPE 71 DPPE H9S HAL2 0.090000 1.0080 0 8527 DPE 71 DPPE C210 CTL2 -0.180000 12.0110 0 8528 DPE 71 DPPE H10R HAL2 0.090000 1.0080 0 8529 DPE 71 DPPE H10S HAL2 0.090000 1.0080 0 8530 DPE 71 DPPE C211 CTL2 -0.180000 12.0110 0 8531 DPE 71 DPPE H11R HAL2 0.090000 1.0080 0 8532 DPE 71 DPPE H11S HAL2 0.090000 1.0080 0 8533 DPE 71 DPPE C212 CTL2 -0.180000 12.0110 0 8534 DPE 71 DPPE H12R HAL2 0.090000 1.0080 0 8535 DPE 71 DPPE H12S HAL2 0.090000 1.0080 0 8536 DPE 71 DPPE C213 CTL2 -0.180000 12.0110 0 8537 DPE 71 DPPE H13R HAL2 0.090000 1.0080 0 8538 DPE 71 DPPE H13S HAL2 0.090000 1.0080 0 8539 DPE 71 DPPE C214 CTL2 -0.180000 12.0110 0 8540 DPE 71 DPPE H14R HAL2 0.090000 1.0080 0 8541 DPE 71 DPPE H14S HAL2 0.090000 1.0080 0 8542 DPE 71 DPPE C215 CTL2 -0.180000 12.0110 0 8543 DPE 71 DPPE H15R HAL2 0.090000 1.0080 0 8544 DPE 71 DPPE H15S HAL2 0.090000 1.0080 0 8545 DPE 71 DPPE C216 CTL3 -0.270000 12.0110 0 8546 DPE 71 DPPE H16R HAL3 0.090000 1.0080 0 8547 DPE 71 DPPE H16S HAL3 0.090000 1.0080 0 8548 DPE 71 DPPE H16T HAL3 0.090000 1.0080 0 8549 DPE 71 DPPE C33 CTL2 -0.180000 12.0110 0 8550 DPE 71 DPPE H3X HAL2 0.090000 1.0080 0 8551 DPE 71 DPPE H3Y HAL2 0.090000 1.0080 0 8552 DPE 71 DPPE C34 CTL2 -0.180000 12.0110 0 8553 DPE 71 DPPE H4X HAL2 0.090000 1.0080 0 8554 DPE 71 DPPE H4Y HAL2 0.090000 1.0080 0 8555 DPE 71 DPPE C35 CTL2 -0.180000 12.0110 0 8556 DPE 71 DPPE H5X HAL2 0.090000 1.0080 0 8557 DPE 71 DPPE H5Y HAL2 0.090000 1.0080 0 8558 DPE 71 DPPE C36 CTL2 -0.180000 12.0110 0 8559 DPE 71 DPPE H6X HAL2 0.090000 1.0080 0 8560 DPE 71 DPPE H6Y HAL2 0.090000 1.0080 0 8561 DPE 71 DPPE C37 CTL2 -0.180000 12.0110 0 8562 DPE 71 DPPE H7X HAL2 0.090000 1.0080 0 8563 DPE 71 DPPE H7Y HAL2 0.090000 1.0080 0 8564 DPE 71 DPPE C38 CTL2 -0.180000 12.0110 0 8565 DPE 71 DPPE H8X HAL2 0.090000 1.0080 0 8566 DPE 71 DPPE H8Y HAL2 0.090000 1.0080 0 8567 DPE 71 DPPE C39 CTL2 -0.180000 12.0110 0 8568 DPE 71 DPPE H9X HAL2 0.090000 1.0080 0 8569 DPE 71 DPPE H9Y HAL2 0.090000 1.0080 0 8570 DPE 71 DPPE C310 CTL2 -0.180000 12.0110 0 8571 DPE 71 DPPE H10X HAL2 0.090000 1.0080 0 8572 DPE 71 DPPE H10Y HAL2 0.090000 1.0080 0 8573 DPE 71 DPPE C311 CTL2 -0.180000 12.0110 0 8574 DPE 71 DPPE H11X HAL2 0.090000 1.0080 0 8575 DPE 71 DPPE H11Y HAL2 0.090000 1.0080 0 8576 DPE 71 DPPE C312 CTL2 -0.180000 12.0110 0 8577 DPE 71 DPPE H12X HAL2 0.090000 1.0080 0 8578 DPE 71 DPPE H12Y HAL2 0.090000 1.0080 0 8579 DPE 71 DPPE C313 CTL2 -0.180000 12.0110 0 8580 DPE 71 DPPE H13X HAL2 0.090000 1.0080 0 8581 DPE 71 DPPE H13Y HAL2 0.090000 1.0080 0 8582 DPE 71 DPPE C314 CTL2 -0.180000 12.0110 0 8583 DPE 71 DPPE H14X HAL2 0.090000 1.0080 0 8584 DPE 71 DPPE H14Y HAL2 0.090000 1.0080 0 8585 DPE 71 DPPE C315 CTL2 -0.180000 12.0110 0 8586 DPE 71 DPPE H15X HAL2 0.090000 1.0080 0 8587 DPE 71 DPPE H15Y HAL2 0.090000 1.0080 0 8588 DPE 71 DPPE C316 CTL3 -0.270000 12.0110 0 8589 DPE 71 DPPE H16X HAL3 0.090000 1.0080 0 8590 DPE 71 DPPE H16Y HAL3 0.090000 1.0080 0 8591 DPE 71 DPPE H16Z HAL3 0.090000 1.0080 0 8592 DPE 72 DPPE N NH3L -0.300000 14.0070 0 8593 DPE 72 DPPE HN1 HCL 0.330000 1.0080 0 8594 DPE 72 DPPE HN2 HCL 0.330000 1.0080 0 8595 DPE 72 DPPE HN3 HCL 0.330000 1.0080 0 8596 DPE 72 DPPE C12 CTL2 0.130000 12.0110 0 8597 DPE 72 DPPE H12A HAL2 0.090000 1.0080 0 8598 DPE 72 DPPE H12B HAL2 0.090000 1.0080 0 8599 DPE 72 DPPE C11 CTL2 -0.080000 12.0110 0 8600 DPE 72 DPPE H11A HAL2 0.090000 1.0080 0 8601 DPE 72 DPPE H11B HAL2 0.090000 1.0080 0 8602 DPE 72 DPPE P PL 1.500000 30.9740 0 8603 DPE 72 DPPE O13 O2L -0.780000 15.9994 0 8604 DPE 72 DPPE O14 O2L -0.780000 15.9994 0 8605 DPE 72 DPPE O11 OSL -0.570000 15.9994 0 8606 DPE 72 DPPE O12 OSL -0.570000 15.9994 0 8607 DPE 72 DPPE C1 CTL2 -0.080000 12.0110 0 8608 DPE 72 DPPE HA HAL2 0.090000 1.0080 0 8609 DPE 72 DPPE HB HAL2 0.090000 1.0080 0 8610 DPE 72 DPPE C2 CTL1 0.040000 12.0110 0 8611 DPE 72 DPPE HS HAL1 0.090000 1.0080 0 8612 DPE 72 DPPE O21 OSL -0.340000 15.9994 0 8613 DPE 72 DPPE C21 CL 0.630000 12.0110 0 8614 DPE 72 DPPE O22 OBL -0.520000 15.9994 0 8615 DPE 72 DPPE C22 CTL2 -0.080000 12.0110 0 8616 DPE 72 DPPE H2R HAL2 0.090000 1.0080 0 8617 DPE 72 DPPE H2S HAL2 0.090000 1.0080 0 8618 DPE 72 DPPE C3 CTL2 -0.050000 12.0110 0 8619 DPE 72 DPPE HX HAL2 0.090000 1.0080 0 8620 DPE 72 DPPE HY HAL2 0.090000 1.0080 0 8621 DPE 72 DPPE O31 OSL -0.340000 15.9994 0 8622 DPE 72 DPPE C31 CL 0.630000 12.0110 0 8623 DPE 72 DPPE O32 OBL -0.520000 15.9994 0 8624 DPE 72 DPPE C32 CTL2 -0.080000 12.0110 0 8625 DPE 72 DPPE H2X HAL2 0.090000 1.0080 0 8626 DPE 72 DPPE H2Y HAL2 0.090000 1.0080 0 8627 DPE 72 DPPE C23 CTL2 -0.180000 12.0110 0 8628 DPE 72 DPPE H3R HAL2 0.090000 1.0080 0 8629 DPE 72 DPPE H3S HAL2 0.090000 1.0080 0 8630 DPE 72 DPPE C24 CTL2 -0.180000 12.0110 0 8631 DPE 72 DPPE H4R HAL2 0.090000 1.0080 0 8632 DPE 72 DPPE H4S HAL2 0.090000 1.0080 0 8633 DPE 72 DPPE C25 CTL2 -0.180000 12.0110 0 8634 DPE 72 DPPE H5R HAL2 0.090000 1.0080 0 8635 DPE 72 DPPE H5S HAL2 0.090000 1.0080 0 8636 DPE 72 DPPE C26 CTL2 -0.180000 12.0110 0 8637 DPE 72 DPPE H6R HAL2 0.090000 1.0080 0 8638 DPE 72 DPPE H6S HAL2 0.090000 1.0080 0 8639 DPE 72 DPPE C27 CTL2 -0.180000 12.0110 0 8640 DPE 72 DPPE H7R HAL2 0.090000 1.0080 0 8641 DPE 72 DPPE H7S HAL2 0.090000 1.0080 0 8642 DPE 72 DPPE C28 CTL2 -0.180000 12.0110 0 8643 DPE 72 DPPE H8R HAL2 0.090000 1.0080 0 8644 DPE 72 DPPE H8S HAL2 0.090000 1.0080 0 8645 DPE 72 DPPE C29 CTL2 -0.180000 12.0110 0 8646 DPE 72 DPPE H9R HAL2 0.090000 1.0080 0 8647 DPE 72 DPPE H9S HAL2 0.090000 1.0080 0 8648 DPE 72 DPPE C210 CTL2 -0.180000 12.0110 0 8649 DPE 72 DPPE H10R HAL2 0.090000 1.0080 0 8650 DPE 72 DPPE H10S HAL2 0.090000 1.0080 0 8651 DPE 72 DPPE C211 CTL2 -0.180000 12.0110 0 8652 DPE 72 DPPE H11R HAL2 0.090000 1.0080 0 8653 DPE 72 DPPE H11S HAL2 0.090000 1.0080 0 8654 DPE 72 DPPE C212 CTL2 -0.180000 12.0110 0 8655 DPE 72 DPPE H12R HAL2 0.090000 1.0080 0 8656 DPE 72 DPPE H12S HAL2 0.090000 1.0080 0 8657 DPE 72 DPPE C213 CTL2 -0.180000 12.0110 0 8658 DPE 72 DPPE H13R HAL2 0.090000 1.0080 0 8659 DPE 72 DPPE H13S HAL2 0.090000 1.0080 0 8660 DPE 72 DPPE C214 CTL2 -0.180000 12.0110 0 8661 DPE 72 DPPE H14R HAL2 0.090000 1.0080 0 8662 DPE 72 DPPE H14S HAL2 0.090000 1.0080 0 8663 DPE 72 DPPE C215 CTL2 -0.180000 12.0110 0 8664 DPE 72 DPPE H15R HAL2 0.090000 1.0080 0 8665 DPE 72 DPPE H15S HAL2 0.090000 1.0080 0 8666 DPE 72 DPPE C216 CTL3 -0.270000 12.0110 0 8667 DPE 72 DPPE H16R HAL3 0.090000 1.0080 0 8668 DPE 72 DPPE H16S HAL3 0.090000 1.0080 0 8669 DPE 72 DPPE H16T HAL3 0.090000 1.0080 0 8670 DPE 72 DPPE C33 CTL2 -0.180000 12.0110 0 8671 DPE 72 DPPE H3X HAL2 0.090000 1.0080 0 8672 DPE 72 DPPE H3Y HAL2 0.090000 1.0080 0 8673 DPE 72 DPPE C34 CTL2 -0.180000 12.0110 0 8674 DPE 72 DPPE H4X HAL2 0.090000 1.0080 0 8675 DPE 72 DPPE H4Y HAL2 0.090000 1.0080 0 8676 DPE 72 DPPE C35 CTL2 -0.180000 12.0110 0 8677 DPE 72 DPPE H5X HAL2 0.090000 1.0080 0 8678 DPE 72 DPPE H5Y HAL2 0.090000 1.0080 0 8679 DPE 72 DPPE C36 CTL2 -0.180000 12.0110 0 8680 DPE 72 DPPE H6X HAL2 0.090000 1.0080 0 8681 DPE 72 DPPE H6Y HAL2 0.090000 1.0080 0 8682 DPE 72 DPPE C37 CTL2 -0.180000 12.0110 0 8683 DPE 72 DPPE H7X HAL2 0.090000 1.0080 0 8684 DPE 72 DPPE H7Y HAL2 0.090000 1.0080 0 8685 DPE 72 DPPE C38 CTL2 -0.180000 12.0110 0 8686 DPE 72 DPPE H8X HAL2 0.090000 1.0080 0 8687 DPE 72 DPPE H8Y HAL2 0.090000 1.0080 0 8688 DPE 72 DPPE C39 CTL2 -0.180000 12.0110 0 8689 DPE 72 DPPE H9X HAL2 0.090000 1.0080 0 8690 DPE 72 DPPE H9Y HAL2 0.090000 1.0080 0 8691 DPE 72 DPPE C310 CTL2 -0.180000 12.0110 0 8692 DPE 72 DPPE H10X HAL2 0.090000 1.0080 0 8693 DPE 72 DPPE H10Y HAL2 0.090000 1.0080 0 8694 DPE 72 DPPE C311 CTL2 -0.180000 12.0110 0 8695 DPE 72 DPPE H11X HAL2 0.090000 1.0080 0 8696 DPE 72 DPPE H11Y HAL2 0.090000 1.0080 0 8697 DPE 72 DPPE C312 CTL2 -0.180000 12.0110 0 8698 DPE 72 DPPE H12X HAL2 0.090000 1.0080 0 8699 DPE 72 DPPE H12Y HAL2 0.090000 1.0080 0 8700 DPE 72 DPPE C313 CTL2 -0.180000 12.0110 0 8701 DPE 72 DPPE H13X HAL2 0.090000 1.0080 0 8702 DPE 72 DPPE H13Y HAL2 0.090000 1.0080 0 8703 DPE 72 DPPE C314 CTL2 -0.180000 12.0110 0 8704 DPE 72 DPPE H14X HAL2 0.090000 1.0080 0 8705 DPE 72 DPPE H14Y HAL2 0.090000 1.0080 0 8706 DPE 72 DPPE C315 CTL2 -0.180000 12.0110 0 8707 DPE 72 DPPE H15X HAL2 0.090000 1.0080 0 8708 DPE 72 DPPE H15Y HAL2 0.090000 1.0080 0 8709 DPE 72 DPPE C316 CTL3 -0.270000 12.0110 0 8710 DPE 72 DPPE H16X HAL3 0.090000 1.0080 0 8711 DPE 72 DPPE H16Y HAL3 0.090000 1.0080 0 8712 DPE 72 DPPE H16Z HAL3 0.090000 1.0080 0 8713 DPE 73 DPPE N NH3L -0.300000 14.0070 0 8714 DPE 73 DPPE HN1 HCL 0.330000 1.0080 0 8715 DPE 73 DPPE HN2 HCL 0.330000 1.0080 0 8716 DPE 73 DPPE HN3 HCL 0.330000 1.0080 0 8717 DPE 73 DPPE C12 CTL2 0.130000 12.0110 0 8718 DPE 73 DPPE H12A HAL2 0.090000 1.0080 0 8719 DPE 73 DPPE H12B HAL2 0.090000 1.0080 0 8720 DPE 73 DPPE C11 CTL2 -0.080000 12.0110 0 8721 DPE 73 DPPE H11A HAL2 0.090000 1.0080 0 8722 DPE 73 DPPE H11B HAL2 0.090000 1.0080 0 8723 DPE 73 DPPE P PL 1.500000 30.9740 0 8724 DPE 73 DPPE O13 O2L -0.780000 15.9994 0 8725 DPE 73 DPPE O14 O2L -0.780000 15.9994 0 8726 DPE 73 DPPE O11 OSL -0.570000 15.9994 0 8727 DPE 73 DPPE O12 OSL -0.570000 15.9994 0 8728 DPE 73 DPPE C1 CTL2 -0.080000 12.0110 0 8729 DPE 73 DPPE HA HAL2 0.090000 1.0080 0 8730 DPE 73 DPPE HB HAL2 0.090000 1.0080 0 8731 DPE 73 DPPE C2 CTL1 0.040000 12.0110 0 8732 DPE 73 DPPE HS HAL1 0.090000 1.0080 0 8733 DPE 73 DPPE O21 OSL -0.340000 15.9994 0 8734 DPE 73 DPPE C21 CL 0.630000 12.0110 0 8735 DPE 73 DPPE O22 OBL -0.520000 15.9994 0 8736 DPE 73 DPPE C22 CTL2 -0.080000 12.0110 0 8737 DPE 73 DPPE H2R HAL2 0.090000 1.0080 0 8738 DPE 73 DPPE H2S HAL2 0.090000 1.0080 0 8739 DPE 73 DPPE C3 CTL2 -0.050000 12.0110 0 8740 DPE 73 DPPE HX HAL2 0.090000 1.0080 0 8741 DPE 73 DPPE HY HAL2 0.090000 1.0080 0 8742 DPE 73 DPPE O31 OSL -0.340000 15.9994 0 8743 DPE 73 DPPE C31 CL 0.630000 12.0110 0 8744 DPE 73 DPPE O32 OBL -0.520000 15.9994 0 8745 DPE 73 DPPE C32 CTL2 -0.080000 12.0110 0 8746 DPE 73 DPPE H2X HAL2 0.090000 1.0080 0 8747 DPE 73 DPPE H2Y HAL2 0.090000 1.0080 0 8748 DPE 73 DPPE C23 CTL2 -0.180000 12.0110 0 8749 DPE 73 DPPE H3R HAL2 0.090000 1.0080 0 8750 DPE 73 DPPE H3S HAL2 0.090000 1.0080 0 8751 DPE 73 DPPE C24 CTL2 -0.180000 12.0110 0 8752 DPE 73 DPPE H4R HAL2 0.090000 1.0080 0 8753 DPE 73 DPPE H4S HAL2 0.090000 1.0080 0 8754 DPE 73 DPPE C25 CTL2 -0.180000 12.0110 0 8755 DPE 73 DPPE H5R HAL2 0.090000 1.0080 0 8756 DPE 73 DPPE H5S HAL2 0.090000 1.0080 0 8757 DPE 73 DPPE C26 CTL2 -0.180000 12.0110 0 8758 DPE 73 DPPE H6R HAL2 0.090000 1.0080 0 8759 DPE 73 DPPE H6S HAL2 0.090000 1.0080 0 8760 DPE 73 DPPE C27 CTL2 -0.180000 12.0110 0 8761 DPE 73 DPPE H7R HAL2 0.090000 1.0080 0 8762 DPE 73 DPPE H7S HAL2 0.090000 1.0080 0 8763 DPE 73 DPPE C28 CTL2 -0.180000 12.0110 0 8764 DPE 73 DPPE H8R HAL2 0.090000 1.0080 0 8765 DPE 73 DPPE H8S HAL2 0.090000 1.0080 0 8766 DPE 73 DPPE C29 CTL2 -0.180000 12.0110 0 8767 DPE 73 DPPE H9R HAL2 0.090000 1.0080 0 8768 DPE 73 DPPE H9S HAL2 0.090000 1.0080 0 8769 DPE 73 DPPE C210 CTL2 -0.180000 12.0110 0 8770 DPE 73 DPPE H10R HAL2 0.090000 1.0080 0 8771 DPE 73 DPPE H10S HAL2 0.090000 1.0080 0 8772 DPE 73 DPPE C211 CTL2 -0.180000 12.0110 0 8773 DPE 73 DPPE H11R HAL2 0.090000 1.0080 0 8774 DPE 73 DPPE H11S HAL2 0.090000 1.0080 0 8775 DPE 73 DPPE C212 CTL2 -0.180000 12.0110 0 8776 DPE 73 DPPE H12R HAL2 0.090000 1.0080 0 8777 DPE 73 DPPE H12S HAL2 0.090000 1.0080 0 8778 DPE 73 DPPE C213 CTL2 -0.180000 12.0110 0 8779 DPE 73 DPPE H13R HAL2 0.090000 1.0080 0 8780 DPE 73 DPPE H13S HAL2 0.090000 1.0080 0 8781 DPE 73 DPPE C214 CTL2 -0.180000 12.0110 0 8782 DPE 73 DPPE H14R HAL2 0.090000 1.0080 0 8783 DPE 73 DPPE H14S HAL2 0.090000 1.0080 0 8784 DPE 73 DPPE C215 CTL2 -0.180000 12.0110 0 8785 DPE 73 DPPE H15R HAL2 0.090000 1.0080 0 8786 DPE 73 DPPE H15S HAL2 0.090000 1.0080 0 8787 DPE 73 DPPE C216 CTL3 -0.270000 12.0110 0 8788 DPE 73 DPPE H16R HAL3 0.090000 1.0080 0 8789 DPE 73 DPPE H16S HAL3 0.090000 1.0080 0 8790 DPE 73 DPPE H16T HAL3 0.090000 1.0080 0 8791 DPE 73 DPPE C33 CTL2 -0.180000 12.0110 0 8792 DPE 73 DPPE H3X HAL2 0.090000 1.0080 0 8793 DPE 73 DPPE H3Y HAL2 0.090000 1.0080 0 8794 DPE 73 DPPE C34 CTL2 -0.180000 12.0110 0 8795 DPE 73 DPPE H4X HAL2 0.090000 1.0080 0 8796 DPE 73 DPPE H4Y HAL2 0.090000 1.0080 0 8797 DPE 73 DPPE C35 CTL2 -0.180000 12.0110 0 8798 DPE 73 DPPE H5X HAL2 0.090000 1.0080 0 8799 DPE 73 DPPE H5Y HAL2 0.090000 1.0080 0 8800 DPE 73 DPPE C36 CTL2 -0.180000 12.0110 0 8801 DPE 73 DPPE H6X HAL2 0.090000 1.0080 0 8802 DPE 73 DPPE H6Y HAL2 0.090000 1.0080 0 8803 DPE 73 DPPE C37 CTL2 -0.180000 12.0110 0 8804 DPE 73 DPPE H7X HAL2 0.090000 1.0080 0 8805 DPE 73 DPPE H7Y HAL2 0.090000 1.0080 0 8806 DPE 73 DPPE C38 CTL2 -0.180000 12.0110 0 8807 DPE 73 DPPE H8X HAL2 0.090000 1.0080 0 8808 DPE 73 DPPE H8Y HAL2 0.090000 1.0080 0 8809 DPE 73 DPPE C39 CTL2 -0.180000 12.0110 0 8810 DPE 73 DPPE H9X HAL2 0.090000 1.0080 0 8811 DPE 73 DPPE H9Y HAL2 0.090000 1.0080 0 8812 DPE 73 DPPE C310 CTL2 -0.180000 12.0110 0 8813 DPE 73 DPPE H10X HAL2 0.090000 1.0080 0 8814 DPE 73 DPPE H10Y HAL2 0.090000 1.0080 0 8815 DPE 73 DPPE C311 CTL2 -0.180000 12.0110 0 8816 DPE 73 DPPE H11X HAL2 0.090000 1.0080 0 8817 DPE 73 DPPE H11Y HAL2 0.090000 1.0080 0 8818 DPE 73 DPPE C312 CTL2 -0.180000 12.0110 0 8819 DPE 73 DPPE H12X HAL2 0.090000 1.0080 0 8820 DPE 73 DPPE H12Y HAL2 0.090000 1.0080 0 8821 DPE 73 DPPE C313 CTL2 -0.180000 12.0110 0 8822 DPE 73 DPPE H13X HAL2 0.090000 1.0080 0 8823 DPE 73 DPPE H13Y HAL2 0.090000 1.0080 0 8824 DPE 73 DPPE C314 CTL2 -0.180000 12.0110 0 8825 DPE 73 DPPE H14X HAL2 0.090000 1.0080 0 8826 DPE 73 DPPE H14Y HAL2 0.090000 1.0080 0 8827 DPE 73 DPPE C315 CTL2 -0.180000 12.0110 0 8828 DPE 73 DPPE H15X HAL2 0.090000 1.0080 0 8829 DPE 73 DPPE H15Y HAL2 0.090000 1.0080 0 8830 DPE 73 DPPE C316 CTL3 -0.270000 12.0110 0 8831 DPE 73 DPPE H16X HAL3 0.090000 1.0080 0 8832 DPE 73 DPPE H16Y HAL3 0.090000 1.0080 0 8833 DPE 73 DPPE H16Z HAL3 0.090000 1.0080 0 8834 DPE 74 DPPE N NH3L -0.300000 14.0070 0 8835 DPE 74 DPPE HN1 HCL 0.330000 1.0080 0 8836 DPE 74 DPPE HN2 HCL 0.330000 1.0080 0 8837 DPE 74 DPPE HN3 HCL 0.330000 1.0080 0 8838 DPE 74 DPPE C12 CTL2 0.130000 12.0110 0 8839 DPE 74 DPPE H12A HAL2 0.090000 1.0080 0 8840 DPE 74 DPPE H12B HAL2 0.090000 1.0080 0 8841 DPE 74 DPPE C11 CTL2 -0.080000 12.0110 0 8842 DPE 74 DPPE H11A HAL2 0.090000 1.0080 0 8843 DPE 74 DPPE H11B HAL2 0.090000 1.0080 0 8844 DPE 74 DPPE P PL 1.500000 30.9740 0 8845 DPE 74 DPPE O13 O2L -0.780000 15.9994 0 8846 DPE 74 DPPE O14 O2L -0.780000 15.9994 0 8847 DPE 74 DPPE O11 OSL -0.570000 15.9994 0 8848 DPE 74 DPPE O12 OSL -0.570000 15.9994 0 8849 DPE 74 DPPE C1 CTL2 -0.080000 12.0110 0 8850 DPE 74 DPPE HA HAL2 0.090000 1.0080 0 8851 DPE 74 DPPE HB HAL2 0.090000 1.0080 0 8852 DPE 74 DPPE C2 CTL1 0.040000 12.0110 0 8853 DPE 74 DPPE HS HAL1 0.090000 1.0080 0 8854 DPE 74 DPPE O21 OSL -0.340000 15.9994 0 8855 DPE 74 DPPE C21 CL 0.630000 12.0110 0 8856 DPE 74 DPPE O22 OBL -0.520000 15.9994 0 8857 DPE 74 DPPE C22 CTL2 -0.080000 12.0110 0 8858 DPE 74 DPPE H2R HAL2 0.090000 1.0080 0 8859 DPE 74 DPPE H2S HAL2 0.090000 1.0080 0 8860 DPE 74 DPPE C3 CTL2 -0.050000 12.0110 0 8861 DPE 74 DPPE HX HAL2 0.090000 1.0080 0 8862 DPE 74 DPPE HY HAL2 0.090000 1.0080 0 8863 DPE 74 DPPE O31 OSL -0.340000 15.9994 0 8864 DPE 74 DPPE C31 CL 0.630000 12.0110 0 8865 DPE 74 DPPE O32 OBL -0.520000 15.9994 0 8866 DPE 74 DPPE C32 CTL2 -0.080000 12.0110 0 8867 DPE 74 DPPE H2X HAL2 0.090000 1.0080 0 8868 DPE 74 DPPE H2Y HAL2 0.090000 1.0080 0 8869 DPE 74 DPPE C23 CTL2 -0.180000 12.0110 0 8870 DPE 74 DPPE H3R HAL2 0.090000 1.0080 0 8871 DPE 74 DPPE H3S HAL2 0.090000 1.0080 0 8872 DPE 74 DPPE C24 CTL2 -0.180000 12.0110 0 8873 DPE 74 DPPE H4R HAL2 0.090000 1.0080 0 8874 DPE 74 DPPE H4S HAL2 0.090000 1.0080 0 8875 DPE 74 DPPE C25 CTL2 -0.180000 12.0110 0 8876 DPE 74 DPPE H5R HAL2 0.090000 1.0080 0 8877 DPE 74 DPPE H5S HAL2 0.090000 1.0080 0 8878 DPE 74 DPPE C26 CTL2 -0.180000 12.0110 0 8879 DPE 74 DPPE H6R HAL2 0.090000 1.0080 0 8880 DPE 74 DPPE H6S HAL2 0.090000 1.0080 0 8881 DPE 74 DPPE C27 CTL2 -0.180000 12.0110 0 8882 DPE 74 DPPE H7R HAL2 0.090000 1.0080 0 8883 DPE 74 DPPE H7S HAL2 0.090000 1.0080 0 8884 DPE 74 DPPE C28 CTL2 -0.180000 12.0110 0 8885 DPE 74 DPPE H8R HAL2 0.090000 1.0080 0 8886 DPE 74 DPPE H8S HAL2 0.090000 1.0080 0 8887 DPE 74 DPPE C29 CTL2 -0.180000 12.0110 0 8888 DPE 74 DPPE H9R HAL2 0.090000 1.0080 0 8889 DPE 74 DPPE H9S HAL2 0.090000 1.0080 0 8890 DPE 74 DPPE C210 CTL2 -0.180000 12.0110 0 8891 DPE 74 DPPE H10R HAL2 0.090000 1.0080 0 8892 DPE 74 DPPE H10S HAL2 0.090000 1.0080 0 8893 DPE 74 DPPE C211 CTL2 -0.180000 12.0110 0 8894 DPE 74 DPPE H11R HAL2 0.090000 1.0080 0 8895 DPE 74 DPPE H11S HAL2 0.090000 1.0080 0 8896 DPE 74 DPPE C212 CTL2 -0.180000 12.0110 0 8897 DPE 74 DPPE H12R HAL2 0.090000 1.0080 0 8898 DPE 74 DPPE H12S HAL2 0.090000 1.0080 0 8899 DPE 74 DPPE C213 CTL2 -0.180000 12.0110 0 8900 DPE 74 DPPE H13R HAL2 0.090000 1.0080 0 8901 DPE 74 DPPE H13S HAL2 0.090000 1.0080 0 8902 DPE 74 DPPE C214 CTL2 -0.180000 12.0110 0 8903 DPE 74 DPPE H14R HAL2 0.090000 1.0080 0 8904 DPE 74 DPPE H14S HAL2 0.090000 1.0080 0 8905 DPE 74 DPPE C215 CTL2 -0.180000 12.0110 0 8906 DPE 74 DPPE H15R HAL2 0.090000 1.0080 0 8907 DPE 74 DPPE H15S HAL2 0.090000 1.0080 0 8908 DPE 74 DPPE C216 CTL3 -0.270000 12.0110 0 8909 DPE 74 DPPE H16R HAL3 0.090000 1.0080 0 8910 DPE 74 DPPE H16S HAL3 0.090000 1.0080 0 8911 DPE 74 DPPE H16T HAL3 0.090000 1.0080 0 8912 DPE 74 DPPE C33 CTL2 -0.180000 12.0110 0 8913 DPE 74 DPPE H3X HAL2 0.090000 1.0080 0 8914 DPE 74 DPPE H3Y HAL2 0.090000 1.0080 0 8915 DPE 74 DPPE C34 CTL2 -0.180000 12.0110 0 8916 DPE 74 DPPE H4X HAL2 0.090000 1.0080 0 8917 DPE 74 DPPE H4Y HAL2 0.090000 1.0080 0 8918 DPE 74 DPPE C35 CTL2 -0.180000 12.0110 0 8919 DPE 74 DPPE H5X HAL2 0.090000 1.0080 0 8920 DPE 74 DPPE H5Y HAL2 0.090000 1.0080 0 8921 DPE 74 DPPE C36 CTL2 -0.180000 12.0110 0 8922 DPE 74 DPPE H6X HAL2 0.090000 1.0080 0 8923 DPE 74 DPPE H6Y HAL2 0.090000 1.0080 0 8924 DPE 74 DPPE C37 CTL2 -0.180000 12.0110 0 8925 DPE 74 DPPE H7X HAL2 0.090000 1.0080 0 8926 DPE 74 DPPE H7Y HAL2 0.090000 1.0080 0 8927 DPE 74 DPPE C38 CTL2 -0.180000 12.0110 0 8928 DPE 74 DPPE H8X HAL2 0.090000 1.0080 0 8929 DPE 74 DPPE H8Y HAL2 0.090000 1.0080 0 8930 DPE 74 DPPE C39 CTL2 -0.180000 12.0110 0 8931 DPE 74 DPPE H9X HAL2 0.090000 1.0080 0 8932 DPE 74 DPPE H9Y HAL2 0.090000 1.0080 0 8933 DPE 74 DPPE C310 CTL2 -0.180000 12.0110 0 8934 DPE 74 DPPE H10X HAL2 0.090000 1.0080 0 8935 DPE 74 DPPE H10Y HAL2 0.090000 1.0080 0 8936 DPE 74 DPPE C311 CTL2 -0.180000 12.0110 0 8937 DPE 74 DPPE H11X HAL2 0.090000 1.0080 0 8938 DPE 74 DPPE H11Y HAL2 0.090000 1.0080 0 8939 DPE 74 DPPE C312 CTL2 -0.180000 12.0110 0 8940 DPE 74 DPPE H12X HAL2 0.090000 1.0080 0 8941 DPE 74 DPPE H12Y HAL2 0.090000 1.0080 0 8942 DPE 74 DPPE C313 CTL2 -0.180000 12.0110 0 8943 DPE 74 DPPE H13X HAL2 0.090000 1.0080 0 8944 DPE 74 DPPE H13Y HAL2 0.090000 1.0080 0 8945 DPE 74 DPPE C314 CTL2 -0.180000 12.0110 0 8946 DPE 74 DPPE H14X HAL2 0.090000 1.0080 0 8947 DPE 74 DPPE H14Y HAL2 0.090000 1.0080 0 8948 DPE 74 DPPE C315 CTL2 -0.180000 12.0110 0 8949 DPE 74 DPPE H15X HAL2 0.090000 1.0080 0 8950 DPE 74 DPPE H15Y HAL2 0.090000 1.0080 0 8951 DPE 74 DPPE C316 CTL3 -0.270000 12.0110 0 8952 DPE 74 DPPE H16X HAL3 0.090000 1.0080 0 8953 DPE 74 DPPE H16Y HAL3 0.090000 1.0080 0 8954 DPE 74 DPPE H16Z HAL3 0.090000 1.0080 0 8955 DPE 75 DPPE N NH3L -0.300000 14.0070 0 8956 DPE 75 DPPE HN1 HCL 0.330000 1.0080 0 8957 DPE 75 DPPE HN2 HCL 0.330000 1.0080 0 8958 DPE 75 DPPE HN3 HCL 0.330000 1.0080 0 8959 DPE 75 DPPE C12 CTL2 0.130000 12.0110 0 8960 DPE 75 DPPE H12A HAL2 0.090000 1.0080 0 8961 DPE 75 DPPE H12B HAL2 0.090000 1.0080 0 8962 DPE 75 DPPE C11 CTL2 -0.080000 12.0110 0 8963 DPE 75 DPPE H11A HAL2 0.090000 1.0080 0 8964 DPE 75 DPPE H11B HAL2 0.090000 1.0080 0 8965 DPE 75 DPPE P PL 1.500000 30.9740 0 8966 DPE 75 DPPE O13 O2L -0.780000 15.9994 0 8967 DPE 75 DPPE O14 O2L -0.780000 15.9994 0 8968 DPE 75 DPPE O11 OSL -0.570000 15.9994 0 8969 DPE 75 DPPE O12 OSL -0.570000 15.9994 0 8970 DPE 75 DPPE C1 CTL2 -0.080000 12.0110 0 8971 DPE 75 DPPE HA HAL2 0.090000 1.0080 0 8972 DPE 75 DPPE HB HAL2 0.090000 1.0080 0 8973 DPE 75 DPPE C2 CTL1 0.040000 12.0110 0 8974 DPE 75 DPPE HS HAL1 0.090000 1.0080 0 8975 DPE 75 DPPE O21 OSL -0.340000 15.9994 0 8976 DPE 75 DPPE C21 CL 0.630000 12.0110 0 8977 DPE 75 DPPE O22 OBL -0.520000 15.9994 0 8978 DPE 75 DPPE C22 CTL2 -0.080000 12.0110 0 8979 DPE 75 DPPE H2R HAL2 0.090000 1.0080 0 8980 DPE 75 DPPE H2S HAL2 0.090000 1.0080 0 8981 DPE 75 DPPE C3 CTL2 -0.050000 12.0110 0 8982 DPE 75 DPPE HX HAL2 0.090000 1.0080 0 8983 DPE 75 DPPE HY HAL2 0.090000 1.0080 0 8984 DPE 75 DPPE O31 OSL -0.340000 15.9994 0 8985 DPE 75 DPPE C31 CL 0.630000 12.0110 0 8986 DPE 75 DPPE O32 OBL -0.520000 15.9994 0 8987 DPE 75 DPPE C32 CTL2 -0.080000 12.0110 0 8988 DPE 75 DPPE H2X HAL2 0.090000 1.0080 0 8989 DPE 75 DPPE H2Y HAL2 0.090000 1.0080 0 8990 DPE 75 DPPE C23 CTL2 -0.180000 12.0110 0 8991 DPE 75 DPPE H3R HAL2 0.090000 1.0080 0 8992 DPE 75 DPPE H3S HAL2 0.090000 1.0080 0 8993 DPE 75 DPPE C24 CTL2 -0.180000 12.0110 0 8994 DPE 75 DPPE H4R HAL2 0.090000 1.0080 0 8995 DPE 75 DPPE H4S HAL2 0.090000 1.0080 0 8996 DPE 75 DPPE C25 CTL2 -0.180000 12.0110 0 8997 DPE 75 DPPE H5R HAL2 0.090000 1.0080 0 8998 DPE 75 DPPE H5S HAL2 0.090000 1.0080 0 8999 DPE 75 DPPE C26 CTL2 -0.180000 12.0110 0 9000 DPE 75 DPPE H6R HAL2 0.090000 1.0080 0 9001 DPE 75 DPPE H6S HAL2 0.090000 1.0080 0 9002 DPE 75 DPPE C27 CTL2 -0.180000 12.0110 0 9003 DPE 75 DPPE H7R HAL2 0.090000 1.0080 0 9004 DPE 75 DPPE H7S HAL2 0.090000 1.0080 0 9005 DPE 75 DPPE C28 CTL2 -0.180000 12.0110 0 9006 DPE 75 DPPE H8R HAL2 0.090000 1.0080 0 9007 DPE 75 DPPE H8S HAL2 0.090000 1.0080 0 9008 DPE 75 DPPE C29 CTL2 -0.180000 12.0110 0 9009 DPE 75 DPPE H9R HAL2 0.090000 1.0080 0 9010 DPE 75 DPPE H9S HAL2 0.090000 1.0080 0 9011 DPE 75 DPPE C210 CTL2 -0.180000 12.0110 0 9012 DPE 75 DPPE H10R HAL2 0.090000 1.0080 0 9013 DPE 75 DPPE H10S HAL2 0.090000 1.0080 0 9014 DPE 75 DPPE C211 CTL2 -0.180000 12.0110 0 9015 DPE 75 DPPE H11R HAL2 0.090000 1.0080 0 9016 DPE 75 DPPE H11S HAL2 0.090000 1.0080 0 9017 DPE 75 DPPE C212 CTL2 -0.180000 12.0110 0 9018 DPE 75 DPPE H12R HAL2 0.090000 1.0080 0 9019 DPE 75 DPPE H12S HAL2 0.090000 1.0080 0 9020 DPE 75 DPPE C213 CTL2 -0.180000 12.0110 0 9021 DPE 75 DPPE H13R HAL2 0.090000 1.0080 0 9022 DPE 75 DPPE H13S HAL2 0.090000 1.0080 0 9023 DPE 75 DPPE C214 CTL2 -0.180000 12.0110 0 9024 DPE 75 DPPE H14R HAL2 0.090000 1.0080 0 9025 DPE 75 DPPE H14S HAL2 0.090000 1.0080 0 9026 DPE 75 DPPE C215 CTL2 -0.180000 12.0110 0 9027 DPE 75 DPPE H15R HAL2 0.090000 1.0080 0 9028 DPE 75 DPPE H15S HAL2 0.090000 1.0080 0 9029 DPE 75 DPPE C216 CTL3 -0.270000 12.0110 0 9030 DPE 75 DPPE H16R HAL3 0.090000 1.0080 0 9031 DPE 75 DPPE H16S HAL3 0.090000 1.0080 0 9032 DPE 75 DPPE H16T HAL3 0.090000 1.0080 0 9033 DPE 75 DPPE C33 CTL2 -0.180000 12.0110 0 9034 DPE 75 DPPE H3X HAL2 0.090000 1.0080 0 9035 DPE 75 DPPE H3Y HAL2 0.090000 1.0080 0 9036 DPE 75 DPPE C34 CTL2 -0.180000 12.0110 0 9037 DPE 75 DPPE H4X HAL2 0.090000 1.0080 0 9038 DPE 75 DPPE H4Y HAL2 0.090000 1.0080 0 9039 DPE 75 DPPE C35 CTL2 -0.180000 12.0110 0 9040 DPE 75 DPPE H5X HAL2 0.090000 1.0080 0 9041 DPE 75 DPPE H5Y HAL2 0.090000 1.0080 0 9042 DPE 75 DPPE C36 CTL2 -0.180000 12.0110 0 9043 DPE 75 DPPE H6X HAL2 0.090000 1.0080 0 9044 DPE 75 DPPE H6Y HAL2 0.090000 1.0080 0 9045 DPE 75 DPPE C37 CTL2 -0.180000 12.0110 0 9046 DPE 75 DPPE H7X HAL2 0.090000 1.0080 0 9047 DPE 75 DPPE H7Y HAL2 0.090000 1.0080 0 9048 DPE 75 DPPE C38 CTL2 -0.180000 12.0110 0 9049 DPE 75 DPPE H8X HAL2 0.090000 1.0080 0 9050 DPE 75 DPPE H8Y HAL2 0.090000 1.0080 0 9051 DPE 75 DPPE C39 CTL2 -0.180000 12.0110 0 9052 DPE 75 DPPE H9X HAL2 0.090000 1.0080 0 9053 DPE 75 DPPE H9Y HAL2 0.090000 1.0080 0 9054 DPE 75 DPPE C310 CTL2 -0.180000 12.0110 0 9055 DPE 75 DPPE H10X HAL2 0.090000 1.0080 0 9056 DPE 75 DPPE H10Y HAL2 0.090000 1.0080 0 9057 DPE 75 DPPE C311 CTL2 -0.180000 12.0110 0 9058 DPE 75 DPPE H11X HAL2 0.090000 1.0080 0 9059 DPE 75 DPPE H11Y HAL2 0.090000 1.0080 0 9060 DPE 75 DPPE C312 CTL2 -0.180000 12.0110 0 9061 DPE 75 DPPE H12X HAL2 0.090000 1.0080 0 9062 DPE 75 DPPE H12Y HAL2 0.090000 1.0080 0 9063 DPE 75 DPPE C313 CTL2 -0.180000 12.0110 0 9064 DPE 75 DPPE H13X HAL2 0.090000 1.0080 0 9065 DPE 75 DPPE H13Y HAL2 0.090000 1.0080 0 9066 DPE 75 DPPE C314 CTL2 -0.180000 12.0110 0 9067 DPE 75 DPPE H14X HAL2 0.090000 1.0080 0 9068 DPE 75 DPPE H14Y HAL2 0.090000 1.0080 0 9069 DPE 75 DPPE C315 CTL2 -0.180000 12.0110 0 9070 DPE 75 DPPE H15X HAL2 0.090000 1.0080 0 9071 DPE 75 DPPE H15Y HAL2 0.090000 1.0080 0 9072 DPE 75 DPPE C316 CTL3 -0.270000 12.0110 0 9073 DPE 75 DPPE H16X HAL3 0.090000 1.0080 0 9074 DPE 75 DPPE H16Y HAL3 0.090000 1.0080 0 9075 DPE 75 DPPE H16Z HAL3 0.090000 1.0080 0 9076 DPE 76 DPPE N NH3L -0.300000 14.0070 0 9077 DPE 76 DPPE HN1 HCL 0.330000 1.0080 0 9078 DPE 76 DPPE HN2 HCL 0.330000 1.0080 0 9079 DPE 76 DPPE HN3 HCL 0.330000 1.0080 0 9080 DPE 76 DPPE C12 CTL2 0.130000 12.0110 0 9081 DPE 76 DPPE H12A HAL2 0.090000 1.0080 0 9082 DPE 76 DPPE H12B HAL2 0.090000 1.0080 0 9083 DPE 76 DPPE C11 CTL2 -0.080000 12.0110 0 9084 DPE 76 DPPE H11A HAL2 0.090000 1.0080 0 9085 DPE 76 DPPE H11B HAL2 0.090000 1.0080 0 9086 DPE 76 DPPE P PL 1.500000 30.9740 0 9087 DPE 76 DPPE O13 O2L -0.780000 15.9994 0 9088 DPE 76 DPPE O14 O2L -0.780000 15.9994 0 9089 DPE 76 DPPE O11 OSL -0.570000 15.9994 0 9090 DPE 76 DPPE O12 OSL -0.570000 15.9994 0 9091 DPE 76 DPPE C1 CTL2 -0.080000 12.0110 0 9092 DPE 76 DPPE HA HAL2 0.090000 1.0080 0 9093 DPE 76 DPPE HB HAL2 0.090000 1.0080 0 9094 DPE 76 DPPE C2 CTL1 0.040000 12.0110 0 9095 DPE 76 DPPE HS HAL1 0.090000 1.0080 0 9096 DPE 76 DPPE O21 OSL -0.340000 15.9994 0 9097 DPE 76 DPPE C21 CL 0.630000 12.0110 0 9098 DPE 76 DPPE O22 OBL -0.520000 15.9994 0 9099 DPE 76 DPPE C22 CTL2 -0.080000 12.0110 0 9100 DPE 76 DPPE H2R HAL2 0.090000 1.0080 0 9101 DPE 76 DPPE H2S HAL2 0.090000 1.0080 0 9102 DPE 76 DPPE C3 CTL2 -0.050000 12.0110 0 9103 DPE 76 DPPE HX HAL2 0.090000 1.0080 0 9104 DPE 76 DPPE HY HAL2 0.090000 1.0080 0 9105 DPE 76 DPPE O31 OSL -0.340000 15.9994 0 9106 DPE 76 DPPE C31 CL 0.630000 12.0110 0 9107 DPE 76 DPPE O32 OBL -0.520000 15.9994 0 9108 DPE 76 DPPE C32 CTL2 -0.080000 12.0110 0 9109 DPE 76 DPPE H2X HAL2 0.090000 1.0080 0 9110 DPE 76 DPPE H2Y HAL2 0.090000 1.0080 0 9111 DPE 76 DPPE C23 CTL2 -0.180000 12.0110 0 9112 DPE 76 DPPE H3R HAL2 0.090000 1.0080 0 9113 DPE 76 DPPE H3S HAL2 0.090000 1.0080 0 9114 DPE 76 DPPE C24 CTL2 -0.180000 12.0110 0 9115 DPE 76 DPPE H4R HAL2 0.090000 1.0080 0 9116 DPE 76 DPPE H4S HAL2 0.090000 1.0080 0 9117 DPE 76 DPPE C25 CTL2 -0.180000 12.0110 0 9118 DPE 76 DPPE H5R HAL2 0.090000 1.0080 0 9119 DPE 76 DPPE H5S HAL2 0.090000 1.0080 0 9120 DPE 76 DPPE C26 CTL2 -0.180000 12.0110 0 9121 DPE 76 DPPE H6R HAL2 0.090000 1.0080 0 9122 DPE 76 DPPE H6S HAL2 0.090000 1.0080 0 9123 DPE 76 DPPE C27 CTL2 -0.180000 12.0110 0 9124 DPE 76 DPPE H7R HAL2 0.090000 1.0080 0 9125 DPE 76 DPPE H7S HAL2 0.090000 1.0080 0 9126 DPE 76 DPPE C28 CTL2 -0.180000 12.0110 0 9127 DPE 76 DPPE H8R HAL2 0.090000 1.0080 0 9128 DPE 76 DPPE H8S HAL2 0.090000 1.0080 0 9129 DPE 76 DPPE C29 CTL2 -0.180000 12.0110 0 9130 DPE 76 DPPE H9R HAL2 0.090000 1.0080 0 9131 DPE 76 DPPE H9S HAL2 0.090000 1.0080 0 9132 DPE 76 DPPE C210 CTL2 -0.180000 12.0110 0 9133 DPE 76 DPPE H10R HAL2 0.090000 1.0080 0 9134 DPE 76 DPPE H10S HAL2 0.090000 1.0080 0 9135 DPE 76 DPPE C211 CTL2 -0.180000 12.0110 0 9136 DPE 76 DPPE H11R HAL2 0.090000 1.0080 0 9137 DPE 76 DPPE H11S HAL2 0.090000 1.0080 0 9138 DPE 76 DPPE C212 CTL2 -0.180000 12.0110 0 9139 DPE 76 DPPE H12R HAL2 0.090000 1.0080 0 9140 DPE 76 DPPE H12S HAL2 0.090000 1.0080 0 9141 DPE 76 DPPE C213 CTL2 -0.180000 12.0110 0 9142 DPE 76 DPPE H13R HAL2 0.090000 1.0080 0 9143 DPE 76 DPPE H13S HAL2 0.090000 1.0080 0 9144 DPE 76 DPPE C214 CTL2 -0.180000 12.0110 0 9145 DPE 76 DPPE H14R HAL2 0.090000 1.0080 0 9146 DPE 76 DPPE H14S HAL2 0.090000 1.0080 0 9147 DPE 76 DPPE C215 CTL2 -0.180000 12.0110 0 9148 DPE 76 DPPE H15R HAL2 0.090000 1.0080 0 9149 DPE 76 DPPE H15S HAL2 0.090000 1.0080 0 9150 DPE 76 DPPE C216 CTL3 -0.270000 12.0110 0 9151 DPE 76 DPPE H16R HAL3 0.090000 1.0080 0 9152 DPE 76 DPPE H16S HAL3 0.090000 1.0080 0 9153 DPE 76 DPPE H16T HAL3 0.090000 1.0080 0 9154 DPE 76 DPPE C33 CTL2 -0.180000 12.0110 0 9155 DPE 76 DPPE H3X HAL2 0.090000 1.0080 0 9156 DPE 76 DPPE H3Y HAL2 0.090000 1.0080 0 9157 DPE 76 DPPE C34 CTL2 -0.180000 12.0110 0 9158 DPE 76 DPPE H4X HAL2 0.090000 1.0080 0 9159 DPE 76 DPPE H4Y HAL2 0.090000 1.0080 0 9160 DPE 76 DPPE C35 CTL2 -0.180000 12.0110 0 9161 DPE 76 DPPE H5X HAL2 0.090000 1.0080 0 9162 DPE 76 DPPE H5Y HAL2 0.090000 1.0080 0 9163 DPE 76 DPPE C36 CTL2 -0.180000 12.0110 0 9164 DPE 76 DPPE H6X HAL2 0.090000 1.0080 0 9165 DPE 76 DPPE H6Y HAL2 0.090000 1.0080 0 9166 DPE 76 DPPE C37 CTL2 -0.180000 12.0110 0 9167 DPE 76 DPPE H7X HAL2 0.090000 1.0080 0 9168 DPE 76 DPPE H7Y HAL2 0.090000 1.0080 0 9169 DPE 76 DPPE C38 CTL2 -0.180000 12.0110 0 9170 DPE 76 DPPE H8X HAL2 0.090000 1.0080 0 9171 DPE 76 DPPE H8Y HAL2 0.090000 1.0080 0 9172 DPE 76 DPPE C39 CTL2 -0.180000 12.0110 0 9173 DPE 76 DPPE H9X HAL2 0.090000 1.0080 0 9174 DPE 76 DPPE H9Y HAL2 0.090000 1.0080 0 9175 DPE 76 DPPE C310 CTL2 -0.180000 12.0110 0 9176 DPE 76 DPPE H10X HAL2 0.090000 1.0080 0 9177 DPE 76 DPPE H10Y HAL2 0.090000 1.0080 0 9178 DPE 76 DPPE C311 CTL2 -0.180000 12.0110 0 9179 DPE 76 DPPE H11X HAL2 0.090000 1.0080 0 9180 DPE 76 DPPE H11Y HAL2 0.090000 1.0080 0 9181 DPE 76 DPPE C312 CTL2 -0.180000 12.0110 0 9182 DPE 76 DPPE H12X HAL2 0.090000 1.0080 0 9183 DPE 76 DPPE H12Y HAL2 0.090000 1.0080 0 9184 DPE 76 DPPE C313 CTL2 -0.180000 12.0110 0 9185 DPE 76 DPPE H13X HAL2 0.090000 1.0080 0 9186 DPE 76 DPPE H13Y HAL2 0.090000 1.0080 0 9187 DPE 76 DPPE C314 CTL2 -0.180000 12.0110 0 9188 DPE 76 DPPE H14X HAL2 0.090000 1.0080 0 9189 DPE 76 DPPE H14Y HAL2 0.090000 1.0080 0 9190 DPE 76 DPPE C315 CTL2 -0.180000 12.0110 0 9191 DPE 76 DPPE H15X HAL2 0.090000 1.0080 0 9192 DPE 76 DPPE H15Y HAL2 0.090000 1.0080 0 9193 DPE 76 DPPE C316 CTL3 -0.270000 12.0110 0 9194 DPE 76 DPPE H16X HAL3 0.090000 1.0080 0 9195 DPE 76 DPPE H16Y HAL3 0.090000 1.0080 0 9196 DPE 76 DPPE H16Z HAL3 0.090000 1.0080 0 9197 DPE 77 DPPE N NH3L -0.300000 14.0070 0 9198 DPE 77 DPPE HN1 HCL 0.330000 1.0080 0 9199 DPE 77 DPPE HN2 HCL 0.330000 1.0080 0 9200 DPE 77 DPPE HN3 HCL 0.330000 1.0080 0 9201 DPE 77 DPPE C12 CTL2 0.130000 12.0110 0 9202 DPE 77 DPPE H12A HAL2 0.090000 1.0080 0 9203 DPE 77 DPPE H12B HAL2 0.090000 1.0080 0 9204 DPE 77 DPPE C11 CTL2 -0.080000 12.0110 0 9205 DPE 77 DPPE H11A HAL2 0.090000 1.0080 0 9206 DPE 77 DPPE H11B HAL2 0.090000 1.0080 0 9207 DPE 77 DPPE P PL 1.500000 30.9740 0 9208 DPE 77 DPPE O13 O2L -0.780000 15.9994 0 9209 DPE 77 DPPE O14 O2L -0.780000 15.9994 0 9210 DPE 77 DPPE O11 OSL -0.570000 15.9994 0 9211 DPE 77 DPPE O12 OSL -0.570000 15.9994 0 9212 DPE 77 DPPE C1 CTL2 -0.080000 12.0110 0 9213 DPE 77 DPPE HA HAL2 0.090000 1.0080 0 9214 DPE 77 DPPE HB HAL2 0.090000 1.0080 0 9215 DPE 77 DPPE C2 CTL1 0.040000 12.0110 0 9216 DPE 77 DPPE HS HAL1 0.090000 1.0080 0 9217 DPE 77 DPPE O21 OSL -0.340000 15.9994 0 9218 DPE 77 DPPE C21 CL 0.630000 12.0110 0 9219 DPE 77 DPPE O22 OBL -0.520000 15.9994 0 9220 DPE 77 DPPE C22 CTL2 -0.080000 12.0110 0 9221 DPE 77 DPPE H2R HAL2 0.090000 1.0080 0 9222 DPE 77 DPPE H2S HAL2 0.090000 1.0080 0 9223 DPE 77 DPPE C3 CTL2 -0.050000 12.0110 0 9224 DPE 77 DPPE HX HAL2 0.090000 1.0080 0 9225 DPE 77 DPPE HY HAL2 0.090000 1.0080 0 9226 DPE 77 DPPE O31 OSL -0.340000 15.9994 0 9227 DPE 77 DPPE C31 CL 0.630000 12.0110 0 9228 DPE 77 DPPE O32 OBL -0.520000 15.9994 0 9229 DPE 77 DPPE C32 CTL2 -0.080000 12.0110 0 9230 DPE 77 DPPE H2X HAL2 0.090000 1.0080 0 9231 DPE 77 DPPE H2Y HAL2 0.090000 1.0080 0 9232 DPE 77 DPPE C23 CTL2 -0.180000 12.0110 0 9233 DPE 77 DPPE H3R HAL2 0.090000 1.0080 0 9234 DPE 77 DPPE H3S HAL2 0.090000 1.0080 0 9235 DPE 77 DPPE C24 CTL2 -0.180000 12.0110 0 9236 DPE 77 DPPE H4R HAL2 0.090000 1.0080 0 9237 DPE 77 DPPE H4S HAL2 0.090000 1.0080 0 9238 DPE 77 DPPE C25 CTL2 -0.180000 12.0110 0 9239 DPE 77 DPPE H5R HAL2 0.090000 1.0080 0 9240 DPE 77 DPPE H5S HAL2 0.090000 1.0080 0 9241 DPE 77 DPPE C26 CTL2 -0.180000 12.0110 0 9242 DPE 77 DPPE H6R HAL2 0.090000 1.0080 0 9243 DPE 77 DPPE H6S HAL2 0.090000 1.0080 0 9244 DPE 77 DPPE C27 CTL2 -0.180000 12.0110 0 9245 DPE 77 DPPE H7R HAL2 0.090000 1.0080 0 9246 DPE 77 DPPE H7S HAL2 0.090000 1.0080 0 9247 DPE 77 DPPE C28 CTL2 -0.180000 12.0110 0 9248 DPE 77 DPPE H8R HAL2 0.090000 1.0080 0 9249 DPE 77 DPPE H8S HAL2 0.090000 1.0080 0 9250 DPE 77 DPPE C29 CTL2 -0.180000 12.0110 0 9251 DPE 77 DPPE H9R HAL2 0.090000 1.0080 0 9252 DPE 77 DPPE H9S HAL2 0.090000 1.0080 0 9253 DPE 77 DPPE C210 CTL2 -0.180000 12.0110 0 9254 DPE 77 DPPE H10R HAL2 0.090000 1.0080 0 9255 DPE 77 DPPE H10S HAL2 0.090000 1.0080 0 9256 DPE 77 DPPE C211 CTL2 -0.180000 12.0110 0 9257 DPE 77 DPPE H11R HAL2 0.090000 1.0080 0 9258 DPE 77 DPPE H11S HAL2 0.090000 1.0080 0 9259 DPE 77 DPPE C212 CTL2 -0.180000 12.0110 0 9260 DPE 77 DPPE H12R HAL2 0.090000 1.0080 0 9261 DPE 77 DPPE H12S HAL2 0.090000 1.0080 0 9262 DPE 77 DPPE C213 CTL2 -0.180000 12.0110 0 9263 DPE 77 DPPE H13R HAL2 0.090000 1.0080 0 9264 DPE 77 DPPE H13S HAL2 0.090000 1.0080 0 9265 DPE 77 DPPE C214 CTL2 -0.180000 12.0110 0 9266 DPE 77 DPPE H14R HAL2 0.090000 1.0080 0 9267 DPE 77 DPPE H14S HAL2 0.090000 1.0080 0 9268 DPE 77 DPPE C215 CTL2 -0.180000 12.0110 0 9269 DPE 77 DPPE H15R HAL2 0.090000 1.0080 0 9270 DPE 77 DPPE H15S HAL2 0.090000 1.0080 0 9271 DPE 77 DPPE C216 CTL3 -0.270000 12.0110 0 9272 DPE 77 DPPE H16R HAL3 0.090000 1.0080 0 9273 DPE 77 DPPE H16S HAL3 0.090000 1.0080 0 9274 DPE 77 DPPE H16T HAL3 0.090000 1.0080 0 9275 DPE 77 DPPE C33 CTL2 -0.180000 12.0110 0 9276 DPE 77 DPPE H3X HAL2 0.090000 1.0080 0 9277 DPE 77 DPPE H3Y HAL2 0.090000 1.0080 0 9278 DPE 77 DPPE C34 CTL2 -0.180000 12.0110 0 9279 DPE 77 DPPE H4X HAL2 0.090000 1.0080 0 9280 DPE 77 DPPE H4Y HAL2 0.090000 1.0080 0 9281 DPE 77 DPPE C35 CTL2 -0.180000 12.0110 0 9282 DPE 77 DPPE H5X HAL2 0.090000 1.0080 0 9283 DPE 77 DPPE H5Y HAL2 0.090000 1.0080 0 9284 DPE 77 DPPE C36 CTL2 -0.180000 12.0110 0 9285 DPE 77 DPPE H6X HAL2 0.090000 1.0080 0 9286 DPE 77 DPPE H6Y HAL2 0.090000 1.0080 0 9287 DPE 77 DPPE C37 CTL2 -0.180000 12.0110 0 9288 DPE 77 DPPE H7X HAL2 0.090000 1.0080 0 9289 DPE 77 DPPE H7Y HAL2 0.090000 1.0080 0 9290 DPE 77 DPPE C38 CTL2 -0.180000 12.0110 0 9291 DPE 77 DPPE H8X HAL2 0.090000 1.0080 0 9292 DPE 77 DPPE H8Y HAL2 0.090000 1.0080 0 9293 DPE 77 DPPE C39 CTL2 -0.180000 12.0110 0 9294 DPE 77 DPPE H9X HAL2 0.090000 1.0080 0 9295 DPE 77 DPPE H9Y HAL2 0.090000 1.0080 0 9296 DPE 77 DPPE C310 CTL2 -0.180000 12.0110 0 9297 DPE 77 DPPE H10X HAL2 0.090000 1.0080 0 9298 DPE 77 DPPE H10Y HAL2 0.090000 1.0080 0 9299 DPE 77 DPPE C311 CTL2 -0.180000 12.0110 0 9300 DPE 77 DPPE H11X HAL2 0.090000 1.0080 0 9301 DPE 77 DPPE H11Y HAL2 0.090000 1.0080 0 9302 DPE 77 DPPE C312 CTL2 -0.180000 12.0110 0 9303 DPE 77 DPPE H12X HAL2 0.090000 1.0080 0 9304 DPE 77 DPPE H12Y HAL2 0.090000 1.0080 0 9305 DPE 77 DPPE C313 CTL2 -0.180000 12.0110 0 9306 DPE 77 DPPE H13X HAL2 0.090000 1.0080 0 9307 DPE 77 DPPE H13Y HAL2 0.090000 1.0080 0 9308 DPE 77 DPPE C314 CTL2 -0.180000 12.0110 0 9309 DPE 77 DPPE H14X HAL2 0.090000 1.0080 0 9310 DPE 77 DPPE H14Y HAL2 0.090000 1.0080 0 9311 DPE 77 DPPE C315 CTL2 -0.180000 12.0110 0 9312 DPE 77 DPPE H15X HAL2 0.090000 1.0080 0 9313 DPE 77 DPPE H15Y HAL2 0.090000 1.0080 0 9314 DPE 77 DPPE C316 CTL3 -0.270000 12.0110 0 9315 DPE 77 DPPE H16X HAL3 0.090000 1.0080 0 9316 DPE 77 DPPE H16Y HAL3 0.090000 1.0080 0 9317 DPE 77 DPPE H16Z HAL3 0.090000 1.0080 0 9318 DPE 78 DPPE N NH3L -0.300000 14.0070 0 9319 DPE 78 DPPE HN1 HCL 0.330000 1.0080 0 9320 DPE 78 DPPE HN2 HCL 0.330000 1.0080 0 9321 DPE 78 DPPE HN3 HCL 0.330000 1.0080 0 9322 DPE 78 DPPE C12 CTL2 0.130000 12.0110 0 9323 DPE 78 DPPE H12A HAL2 0.090000 1.0080 0 9324 DPE 78 DPPE H12B HAL2 0.090000 1.0080 0 9325 DPE 78 DPPE C11 CTL2 -0.080000 12.0110 0 9326 DPE 78 DPPE H11A HAL2 0.090000 1.0080 0 9327 DPE 78 DPPE H11B HAL2 0.090000 1.0080 0 9328 DPE 78 DPPE P PL 1.500000 30.9740 0 9329 DPE 78 DPPE O13 O2L -0.780000 15.9994 0 9330 DPE 78 DPPE O14 O2L -0.780000 15.9994 0 9331 DPE 78 DPPE O11 OSL -0.570000 15.9994 0 9332 DPE 78 DPPE O12 OSL -0.570000 15.9994 0 9333 DPE 78 DPPE C1 CTL2 -0.080000 12.0110 0 9334 DPE 78 DPPE HA HAL2 0.090000 1.0080 0 9335 DPE 78 DPPE HB HAL2 0.090000 1.0080 0 9336 DPE 78 DPPE C2 CTL1 0.040000 12.0110 0 9337 DPE 78 DPPE HS HAL1 0.090000 1.0080 0 9338 DPE 78 DPPE O21 OSL -0.340000 15.9994 0 9339 DPE 78 DPPE C21 CL 0.630000 12.0110 0 9340 DPE 78 DPPE O22 OBL -0.520000 15.9994 0 9341 DPE 78 DPPE C22 CTL2 -0.080000 12.0110 0 9342 DPE 78 DPPE H2R HAL2 0.090000 1.0080 0 9343 DPE 78 DPPE H2S HAL2 0.090000 1.0080 0 9344 DPE 78 DPPE C3 CTL2 -0.050000 12.0110 0 9345 DPE 78 DPPE HX HAL2 0.090000 1.0080 0 9346 DPE 78 DPPE HY HAL2 0.090000 1.0080 0 9347 DPE 78 DPPE O31 OSL -0.340000 15.9994 0 9348 DPE 78 DPPE C31 CL 0.630000 12.0110 0 9349 DPE 78 DPPE O32 OBL -0.520000 15.9994 0 9350 DPE 78 DPPE C32 CTL2 -0.080000 12.0110 0 9351 DPE 78 DPPE H2X HAL2 0.090000 1.0080 0 9352 DPE 78 DPPE H2Y HAL2 0.090000 1.0080 0 9353 DPE 78 DPPE C23 CTL2 -0.180000 12.0110 0 9354 DPE 78 DPPE H3R HAL2 0.090000 1.0080 0 9355 DPE 78 DPPE H3S HAL2 0.090000 1.0080 0 9356 DPE 78 DPPE C24 CTL2 -0.180000 12.0110 0 9357 DPE 78 DPPE H4R HAL2 0.090000 1.0080 0 9358 DPE 78 DPPE H4S HAL2 0.090000 1.0080 0 9359 DPE 78 DPPE C25 CTL2 -0.180000 12.0110 0 9360 DPE 78 DPPE H5R HAL2 0.090000 1.0080 0 9361 DPE 78 DPPE H5S HAL2 0.090000 1.0080 0 9362 DPE 78 DPPE C26 CTL2 -0.180000 12.0110 0 9363 DPE 78 DPPE H6R HAL2 0.090000 1.0080 0 9364 DPE 78 DPPE H6S HAL2 0.090000 1.0080 0 9365 DPE 78 DPPE C27 CTL2 -0.180000 12.0110 0 9366 DPE 78 DPPE H7R HAL2 0.090000 1.0080 0 9367 DPE 78 DPPE H7S HAL2 0.090000 1.0080 0 9368 DPE 78 DPPE C28 CTL2 -0.180000 12.0110 0 9369 DPE 78 DPPE H8R HAL2 0.090000 1.0080 0 9370 DPE 78 DPPE H8S HAL2 0.090000 1.0080 0 9371 DPE 78 DPPE C29 CTL2 -0.180000 12.0110 0 9372 DPE 78 DPPE H9R HAL2 0.090000 1.0080 0 9373 DPE 78 DPPE H9S HAL2 0.090000 1.0080 0 9374 DPE 78 DPPE C210 CTL2 -0.180000 12.0110 0 9375 DPE 78 DPPE H10R HAL2 0.090000 1.0080 0 9376 DPE 78 DPPE H10S HAL2 0.090000 1.0080 0 9377 DPE 78 DPPE C211 CTL2 -0.180000 12.0110 0 9378 DPE 78 DPPE H11R HAL2 0.090000 1.0080 0 9379 DPE 78 DPPE H11S HAL2 0.090000 1.0080 0 9380 DPE 78 DPPE C212 CTL2 -0.180000 12.0110 0 9381 DPE 78 DPPE H12R HAL2 0.090000 1.0080 0 9382 DPE 78 DPPE H12S HAL2 0.090000 1.0080 0 9383 DPE 78 DPPE C213 CTL2 -0.180000 12.0110 0 9384 DPE 78 DPPE H13R HAL2 0.090000 1.0080 0 9385 DPE 78 DPPE H13S HAL2 0.090000 1.0080 0 9386 DPE 78 DPPE C214 CTL2 -0.180000 12.0110 0 9387 DPE 78 DPPE H14R HAL2 0.090000 1.0080 0 9388 DPE 78 DPPE H14S HAL2 0.090000 1.0080 0 9389 DPE 78 DPPE C215 CTL2 -0.180000 12.0110 0 9390 DPE 78 DPPE H15R HAL2 0.090000 1.0080 0 9391 DPE 78 DPPE H15S HAL2 0.090000 1.0080 0 9392 DPE 78 DPPE C216 CTL3 -0.270000 12.0110 0 9393 DPE 78 DPPE H16R HAL3 0.090000 1.0080 0 9394 DPE 78 DPPE H16S HAL3 0.090000 1.0080 0 9395 DPE 78 DPPE H16T HAL3 0.090000 1.0080 0 9396 DPE 78 DPPE C33 CTL2 -0.180000 12.0110 0 9397 DPE 78 DPPE H3X HAL2 0.090000 1.0080 0 9398 DPE 78 DPPE H3Y HAL2 0.090000 1.0080 0 9399 DPE 78 DPPE C34 CTL2 -0.180000 12.0110 0 9400 DPE 78 DPPE H4X HAL2 0.090000 1.0080 0 9401 DPE 78 DPPE H4Y HAL2 0.090000 1.0080 0 9402 DPE 78 DPPE C35 CTL2 -0.180000 12.0110 0 9403 DPE 78 DPPE H5X HAL2 0.090000 1.0080 0 9404 DPE 78 DPPE H5Y HAL2 0.090000 1.0080 0 9405 DPE 78 DPPE C36 CTL2 -0.180000 12.0110 0 9406 DPE 78 DPPE H6X HAL2 0.090000 1.0080 0 9407 DPE 78 DPPE H6Y HAL2 0.090000 1.0080 0 9408 DPE 78 DPPE C37 CTL2 -0.180000 12.0110 0 9409 DPE 78 DPPE H7X HAL2 0.090000 1.0080 0 9410 DPE 78 DPPE H7Y HAL2 0.090000 1.0080 0 9411 DPE 78 DPPE C38 CTL2 -0.180000 12.0110 0 9412 DPE 78 DPPE H8X HAL2 0.090000 1.0080 0 9413 DPE 78 DPPE H8Y HAL2 0.090000 1.0080 0 9414 DPE 78 DPPE C39 CTL2 -0.180000 12.0110 0 9415 DPE 78 DPPE H9X HAL2 0.090000 1.0080 0 9416 DPE 78 DPPE H9Y HAL2 0.090000 1.0080 0 9417 DPE 78 DPPE C310 CTL2 -0.180000 12.0110 0 9418 DPE 78 DPPE H10X HAL2 0.090000 1.0080 0 9419 DPE 78 DPPE H10Y HAL2 0.090000 1.0080 0 9420 DPE 78 DPPE C311 CTL2 -0.180000 12.0110 0 9421 DPE 78 DPPE H11X HAL2 0.090000 1.0080 0 9422 DPE 78 DPPE H11Y HAL2 0.090000 1.0080 0 9423 DPE 78 DPPE C312 CTL2 -0.180000 12.0110 0 9424 DPE 78 DPPE H12X HAL2 0.090000 1.0080 0 9425 DPE 78 DPPE H12Y HAL2 0.090000 1.0080 0 9426 DPE 78 DPPE C313 CTL2 -0.180000 12.0110 0 9427 DPE 78 DPPE H13X HAL2 0.090000 1.0080 0 9428 DPE 78 DPPE H13Y HAL2 0.090000 1.0080 0 9429 DPE 78 DPPE C314 CTL2 -0.180000 12.0110 0 9430 DPE 78 DPPE H14X HAL2 0.090000 1.0080 0 9431 DPE 78 DPPE H14Y HAL2 0.090000 1.0080 0 9432 DPE 78 DPPE C315 CTL2 -0.180000 12.0110 0 9433 DPE 78 DPPE H15X HAL2 0.090000 1.0080 0 9434 DPE 78 DPPE H15Y HAL2 0.090000 1.0080 0 9435 DPE 78 DPPE C316 CTL3 -0.270000 12.0110 0 9436 DPE 78 DPPE H16X HAL3 0.090000 1.0080 0 9437 DPE 78 DPPE H16Y HAL3 0.090000 1.0080 0 9438 DPE 78 DPPE H16Z HAL3 0.090000 1.0080 0 9439 DPE 79 DPPE N NH3L -0.300000 14.0070 0 9440 DPE 79 DPPE HN1 HCL 0.330000 1.0080 0 9441 DPE 79 DPPE HN2 HCL 0.330000 1.0080 0 9442 DPE 79 DPPE HN3 HCL 0.330000 1.0080 0 9443 DPE 79 DPPE C12 CTL2 0.130000 12.0110 0 9444 DPE 79 DPPE H12A HAL2 0.090000 1.0080 0 9445 DPE 79 DPPE H12B HAL2 0.090000 1.0080 0 9446 DPE 79 DPPE C11 CTL2 -0.080000 12.0110 0 9447 DPE 79 DPPE H11A HAL2 0.090000 1.0080 0 9448 DPE 79 DPPE H11B HAL2 0.090000 1.0080 0 9449 DPE 79 DPPE P PL 1.500000 30.9740 0 9450 DPE 79 DPPE O13 O2L -0.780000 15.9994 0 9451 DPE 79 DPPE O14 O2L -0.780000 15.9994 0 9452 DPE 79 DPPE O11 OSL -0.570000 15.9994 0 9453 DPE 79 DPPE O12 OSL -0.570000 15.9994 0 9454 DPE 79 DPPE C1 CTL2 -0.080000 12.0110 0 9455 DPE 79 DPPE HA HAL2 0.090000 1.0080 0 9456 DPE 79 DPPE HB HAL2 0.090000 1.0080 0 9457 DPE 79 DPPE C2 CTL1 0.040000 12.0110 0 9458 DPE 79 DPPE HS HAL1 0.090000 1.0080 0 9459 DPE 79 DPPE O21 OSL -0.340000 15.9994 0 9460 DPE 79 DPPE C21 CL 0.630000 12.0110 0 9461 DPE 79 DPPE O22 OBL -0.520000 15.9994 0 9462 DPE 79 DPPE C22 CTL2 -0.080000 12.0110 0 9463 DPE 79 DPPE H2R HAL2 0.090000 1.0080 0 9464 DPE 79 DPPE H2S HAL2 0.090000 1.0080 0 9465 DPE 79 DPPE C3 CTL2 -0.050000 12.0110 0 9466 DPE 79 DPPE HX HAL2 0.090000 1.0080 0 9467 DPE 79 DPPE HY HAL2 0.090000 1.0080 0 9468 DPE 79 DPPE O31 OSL -0.340000 15.9994 0 9469 DPE 79 DPPE C31 CL 0.630000 12.0110 0 9470 DPE 79 DPPE O32 OBL -0.520000 15.9994 0 9471 DPE 79 DPPE C32 CTL2 -0.080000 12.0110 0 9472 DPE 79 DPPE H2X HAL2 0.090000 1.0080 0 9473 DPE 79 DPPE H2Y HAL2 0.090000 1.0080 0 9474 DPE 79 DPPE C23 CTL2 -0.180000 12.0110 0 9475 DPE 79 DPPE H3R HAL2 0.090000 1.0080 0 9476 DPE 79 DPPE H3S HAL2 0.090000 1.0080 0 9477 DPE 79 DPPE C24 CTL2 -0.180000 12.0110 0 9478 DPE 79 DPPE H4R HAL2 0.090000 1.0080 0 9479 DPE 79 DPPE H4S HAL2 0.090000 1.0080 0 9480 DPE 79 DPPE C25 CTL2 -0.180000 12.0110 0 9481 DPE 79 DPPE H5R HAL2 0.090000 1.0080 0 9482 DPE 79 DPPE H5S HAL2 0.090000 1.0080 0 9483 DPE 79 DPPE C26 CTL2 -0.180000 12.0110 0 9484 DPE 79 DPPE H6R HAL2 0.090000 1.0080 0 9485 DPE 79 DPPE H6S HAL2 0.090000 1.0080 0 9486 DPE 79 DPPE C27 CTL2 -0.180000 12.0110 0 9487 DPE 79 DPPE H7R HAL2 0.090000 1.0080 0 9488 DPE 79 DPPE H7S HAL2 0.090000 1.0080 0 9489 DPE 79 DPPE C28 CTL2 -0.180000 12.0110 0 9490 DPE 79 DPPE H8R HAL2 0.090000 1.0080 0 9491 DPE 79 DPPE H8S HAL2 0.090000 1.0080 0 9492 DPE 79 DPPE C29 CTL2 -0.180000 12.0110 0 9493 DPE 79 DPPE H9R HAL2 0.090000 1.0080 0 9494 DPE 79 DPPE H9S HAL2 0.090000 1.0080 0 9495 DPE 79 DPPE C210 CTL2 -0.180000 12.0110 0 9496 DPE 79 DPPE H10R HAL2 0.090000 1.0080 0 9497 DPE 79 DPPE H10S HAL2 0.090000 1.0080 0 9498 DPE 79 DPPE C211 CTL2 -0.180000 12.0110 0 9499 DPE 79 DPPE H11R HAL2 0.090000 1.0080 0 9500 DPE 79 DPPE H11S HAL2 0.090000 1.0080 0 9501 DPE 79 DPPE C212 CTL2 -0.180000 12.0110 0 9502 DPE 79 DPPE H12R HAL2 0.090000 1.0080 0 9503 DPE 79 DPPE H12S HAL2 0.090000 1.0080 0 9504 DPE 79 DPPE C213 CTL2 -0.180000 12.0110 0 9505 DPE 79 DPPE H13R HAL2 0.090000 1.0080 0 9506 DPE 79 DPPE H13S HAL2 0.090000 1.0080 0 9507 DPE 79 DPPE C214 CTL2 -0.180000 12.0110 0 9508 DPE 79 DPPE H14R HAL2 0.090000 1.0080 0 9509 DPE 79 DPPE H14S HAL2 0.090000 1.0080 0 9510 DPE 79 DPPE C215 CTL2 -0.180000 12.0110 0 9511 DPE 79 DPPE H15R HAL2 0.090000 1.0080 0 9512 DPE 79 DPPE H15S HAL2 0.090000 1.0080 0 9513 DPE 79 DPPE C216 CTL3 -0.270000 12.0110 0 9514 DPE 79 DPPE H16R HAL3 0.090000 1.0080 0 9515 DPE 79 DPPE H16S HAL3 0.090000 1.0080 0 9516 DPE 79 DPPE H16T HAL3 0.090000 1.0080 0 9517 DPE 79 DPPE C33 CTL2 -0.180000 12.0110 0 9518 DPE 79 DPPE H3X HAL2 0.090000 1.0080 0 9519 DPE 79 DPPE H3Y HAL2 0.090000 1.0080 0 9520 DPE 79 DPPE C34 CTL2 -0.180000 12.0110 0 9521 DPE 79 DPPE H4X HAL2 0.090000 1.0080 0 9522 DPE 79 DPPE H4Y HAL2 0.090000 1.0080 0 9523 DPE 79 DPPE C35 CTL2 -0.180000 12.0110 0 9524 DPE 79 DPPE H5X HAL2 0.090000 1.0080 0 9525 DPE 79 DPPE H5Y HAL2 0.090000 1.0080 0 9526 DPE 79 DPPE C36 CTL2 -0.180000 12.0110 0 9527 DPE 79 DPPE H6X HAL2 0.090000 1.0080 0 9528 DPE 79 DPPE H6Y HAL2 0.090000 1.0080 0 9529 DPE 79 DPPE C37 CTL2 -0.180000 12.0110 0 9530 DPE 79 DPPE H7X HAL2 0.090000 1.0080 0 9531 DPE 79 DPPE H7Y HAL2 0.090000 1.0080 0 9532 DPE 79 DPPE C38 CTL2 -0.180000 12.0110 0 9533 DPE 79 DPPE H8X HAL2 0.090000 1.0080 0 9534 DPE 79 DPPE H8Y HAL2 0.090000 1.0080 0 9535 DPE 79 DPPE C39 CTL2 -0.180000 12.0110 0 9536 DPE 79 DPPE H9X HAL2 0.090000 1.0080 0 9537 DPE 79 DPPE H9Y HAL2 0.090000 1.0080 0 9538 DPE 79 DPPE C310 CTL2 -0.180000 12.0110 0 9539 DPE 79 DPPE H10X HAL2 0.090000 1.0080 0 9540 DPE 79 DPPE H10Y HAL2 0.090000 1.0080 0 9541 DPE 79 DPPE C311 CTL2 -0.180000 12.0110 0 9542 DPE 79 DPPE H11X HAL2 0.090000 1.0080 0 9543 DPE 79 DPPE H11Y HAL2 0.090000 1.0080 0 9544 DPE 79 DPPE C312 CTL2 -0.180000 12.0110 0 9545 DPE 79 DPPE H12X HAL2 0.090000 1.0080 0 9546 DPE 79 DPPE H12Y HAL2 0.090000 1.0080 0 9547 DPE 79 DPPE C313 CTL2 -0.180000 12.0110 0 9548 DPE 79 DPPE H13X HAL2 0.090000 1.0080 0 9549 DPE 79 DPPE H13Y HAL2 0.090000 1.0080 0 9550 DPE 79 DPPE C314 CTL2 -0.180000 12.0110 0 9551 DPE 79 DPPE H14X HAL2 0.090000 1.0080 0 9552 DPE 79 DPPE H14Y HAL2 0.090000 1.0080 0 9553 DPE 79 DPPE C315 CTL2 -0.180000 12.0110 0 9554 DPE 79 DPPE H15X HAL2 0.090000 1.0080 0 9555 DPE 79 DPPE H15Y HAL2 0.090000 1.0080 0 9556 DPE 79 DPPE C316 CTL3 -0.270000 12.0110 0 9557 DPE 79 DPPE H16X HAL3 0.090000 1.0080 0 9558 DPE 79 DPPE H16Y HAL3 0.090000 1.0080 0 9559 DPE 79 DPPE H16Z HAL3 0.090000 1.0080 0 9560 DPE 80 DPPE N NH3L -0.300000 14.0070 0 9561 DPE 80 DPPE HN1 HCL 0.330000 1.0080 0 9562 DPE 80 DPPE HN2 HCL 0.330000 1.0080 0 9563 DPE 80 DPPE HN3 HCL 0.330000 1.0080 0 9564 DPE 80 DPPE C12 CTL2 0.130000 12.0110 0 9565 DPE 80 DPPE H12A HAL2 0.090000 1.0080 0 9566 DPE 80 DPPE H12B HAL2 0.090000 1.0080 0 9567 DPE 80 DPPE C11 CTL2 -0.080000 12.0110 0 9568 DPE 80 DPPE H11A HAL2 0.090000 1.0080 0 9569 DPE 80 DPPE H11B HAL2 0.090000 1.0080 0 9570 DPE 80 DPPE P PL 1.500000 30.9740 0 9571 DPE 80 DPPE O13 O2L -0.780000 15.9994 0 9572 DPE 80 DPPE O14 O2L -0.780000 15.9994 0 9573 DPE 80 DPPE O11 OSL -0.570000 15.9994 0 9574 DPE 80 DPPE O12 OSL -0.570000 15.9994 0 9575 DPE 80 DPPE C1 CTL2 -0.080000 12.0110 0 9576 DPE 80 DPPE HA HAL2 0.090000 1.0080 0 9577 DPE 80 DPPE HB HAL2 0.090000 1.0080 0 9578 DPE 80 DPPE C2 CTL1 0.040000 12.0110 0 9579 DPE 80 DPPE HS HAL1 0.090000 1.0080 0 9580 DPE 80 DPPE O21 OSL -0.340000 15.9994 0 9581 DPE 80 DPPE C21 CL 0.630000 12.0110 0 9582 DPE 80 DPPE O22 OBL -0.520000 15.9994 0 9583 DPE 80 DPPE C22 CTL2 -0.080000 12.0110 0 9584 DPE 80 DPPE H2R HAL2 0.090000 1.0080 0 9585 DPE 80 DPPE H2S HAL2 0.090000 1.0080 0 9586 DPE 80 DPPE C3 CTL2 -0.050000 12.0110 0 9587 DPE 80 DPPE HX HAL2 0.090000 1.0080 0 9588 DPE 80 DPPE HY HAL2 0.090000 1.0080 0 9589 DPE 80 DPPE O31 OSL -0.340000 15.9994 0 9590 DPE 80 DPPE C31 CL 0.630000 12.0110 0 9591 DPE 80 DPPE O32 OBL -0.520000 15.9994 0 9592 DPE 80 DPPE C32 CTL2 -0.080000 12.0110 0 9593 DPE 80 DPPE H2X HAL2 0.090000 1.0080 0 9594 DPE 80 DPPE H2Y HAL2 0.090000 1.0080 0 9595 DPE 80 DPPE C23 CTL2 -0.180000 12.0110 0 9596 DPE 80 DPPE H3R HAL2 0.090000 1.0080 0 9597 DPE 80 DPPE H3S HAL2 0.090000 1.0080 0 9598 DPE 80 DPPE C24 CTL2 -0.180000 12.0110 0 9599 DPE 80 DPPE H4R HAL2 0.090000 1.0080 0 9600 DPE 80 DPPE H4S HAL2 0.090000 1.0080 0 9601 DPE 80 DPPE C25 CTL2 -0.180000 12.0110 0 9602 DPE 80 DPPE H5R HAL2 0.090000 1.0080 0 9603 DPE 80 DPPE H5S HAL2 0.090000 1.0080 0 9604 DPE 80 DPPE C26 CTL2 -0.180000 12.0110 0 9605 DPE 80 DPPE H6R HAL2 0.090000 1.0080 0 9606 DPE 80 DPPE H6S HAL2 0.090000 1.0080 0 9607 DPE 80 DPPE C27 CTL2 -0.180000 12.0110 0 9608 DPE 80 DPPE H7R HAL2 0.090000 1.0080 0 9609 DPE 80 DPPE H7S HAL2 0.090000 1.0080 0 9610 DPE 80 DPPE C28 CTL2 -0.180000 12.0110 0 9611 DPE 80 DPPE H8R HAL2 0.090000 1.0080 0 9612 DPE 80 DPPE H8S HAL2 0.090000 1.0080 0 9613 DPE 80 DPPE C29 CTL2 -0.180000 12.0110 0 9614 DPE 80 DPPE H9R HAL2 0.090000 1.0080 0 9615 DPE 80 DPPE H9S HAL2 0.090000 1.0080 0 9616 DPE 80 DPPE C210 CTL2 -0.180000 12.0110 0 9617 DPE 80 DPPE H10R HAL2 0.090000 1.0080 0 9618 DPE 80 DPPE H10S HAL2 0.090000 1.0080 0 9619 DPE 80 DPPE C211 CTL2 -0.180000 12.0110 0 9620 DPE 80 DPPE H11R HAL2 0.090000 1.0080 0 9621 DPE 80 DPPE H11S HAL2 0.090000 1.0080 0 9622 DPE 80 DPPE C212 CTL2 -0.180000 12.0110 0 9623 DPE 80 DPPE H12R HAL2 0.090000 1.0080 0 9624 DPE 80 DPPE H12S HAL2 0.090000 1.0080 0 9625 DPE 80 DPPE C213 CTL2 -0.180000 12.0110 0 9626 DPE 80 DPPE H13R HAL2 0.090000 1.0080 0 9627 DPE 80 DPPE H13S HAL2 0.090000 1.0080 0 9628 DPE 80 DPPE C214 CTL2 -0.180000 12.0110 0 9629 DPE 80 DPPE H14R HAL2 0.090000 1.0080 0 9630 DPE 80 DPPE H14S HAL2 0.090000 1.0080 0 9631 DPE 80 DPPE C215 CTL2 -0.180000 12.0110 0 9632 DPE 80 DPPE H15R HAL2 0.090000 1.0080 0 9633 DPE 80 DPPE H15S HAL2 0.090000 1.0080 0 9634 DPE 80 DPPE C216 CTL3 -0.270000 12.0110 0 9635 DPE 80 DPPE H16R HAL3 0.090000 1.0080 0 9636 DPE 80 DPPE H16S HAL3 0.090000 1.0080 0 9637 DPE 80 DPPE H16T HAL3 0.090000 1.0080 0 9638 DPE 80 DPPE C33 CTL2 -0.180000 12.0110 0 9639 DPE 80 DPPE H3X HAL2 0.090000 1.0080 0 9640 DPE 80 DPPE H3Y HAL2 0.090000 1.0080 0 9641 DPE 80 DPPE C34 CTL2 -0.180000 12.0110 0 9642 DPE 80 DPPE H4X HAL2 0.090000 1.0080 0 9643 DPE 80 DPPE H4Y HAL2 0.090000 1.0080 0 9644 DPE 80 DPPE C35 CTL2 -0.180000 12.0110 0 9645 DPE 80 DPPE H5X HAL2 0.090000 1.0080 0 9646 DPE 80 DPPE H5Y HAL2 0.090000 1.0080 0 9647 DPE 80 DPPE C36 CTL2 -0.180000 12.0110 0 9648 DPE 80 DPPE H6X HAL2 0.090000 1.0080 0 9649 DPE 80 DPPE H6Y HAL2 0.090000 1.0080 0 9650 DPE 80 DPPE C37 CTL2 -0.180000 12.0110 0 9651 DPE 80 DPPE H7X HAL2 0.090000 1.0080 0 9652 DPE 80 DPPE H7Y HAL2 0.090000 1.0080 0 9653 DPE 80 DPPE C38 CTL2 -0.180000 12.0110 0 9654 DPE 80 DPPE H8X HAL2 0.090000 1.0080 0 9655 DPE 80 DPPE H8Y HAL2 0.090000 1.0080 0 9656 DPE 80 DPPE C39 CTL2 -0.180000 12.0110 0 9657 DPE 80 DPPE H9X HAL2 0.090000 1.0080 0 9658 DPE 80 DPPE H9Y HAL2 0.090000 1.0080 0 9659 DPE 80 DPPE C310 CTL2 -0.180000 12.0110 0 9660 DPE 80 DPPE H10X HAL2 0.090000 1.0080 0 9661 DPE 80 DPPE H10Y HAL2 0.090000 1.0080 0 9662 DPE 80 DPPE C311 CTL2 -0.180000 12.0110 0 9663 DPE 80 DPPE H11X HAL2 0.090000 1.0080 0 9664 DPE 80 DPPE H11Y HAL2 0.090000 1.0080 0 9665 DPE 80 DPPE C312 CTL2 -0.180000 12.0110 0 9666 DPE 80 DPPE H12X HAL2 0.090000 1.0080 0 9667 DPE 80 DPPE H12Y HAL2 0.090000 1.0080 0 9668 DPE 80 DPPE C313 CTL2 -0.180000 12.0110 0 9669 DPE 80 DPPE H13X HAL2 0.090000 1.0080 0 9670 DPE 80 DPPE H13Y HAL2 0.090000 1.0080 0 9671 DPE 80 DPPE C314 CTL2 -0.180000 12.0110 0 9672 DPE 80 DPPE H14X HAL2 0.090000 1.0080 0 9673 DPE 80 DPPE H14Y HAL2 0.090000 1.0080 0 9674 DPE 80 DPPE C315 CTL2 -0.180000 12.0110 0 9675 DPE 80 DPPE H15X HAL2 0.090000 1.0080 0 9676 DPE 80 DPPE H15Y HAL2 0.090000 1.0080 0 9677 DPE 80 DPPE C316 CTL3 -0.270000 12.0110 0 9678 DPE 80 DPPE H16X HAL3 0.090000 1.0080 0 9679 DPE 80 DPPE H16Y HAL3 0.090000 1.0080 0 9680 DPE 80 DPPE H16Z HAL3 0.090000 1.0080 0 9681 DPE 81 DPPE N NH3L -0.300000 14.0070 0 9682 DPE 81 DPPE HN1 HCL 0.330000 1.0080 0 9683 DPE 81 DPPE HN2 HCL 0.330000 1.0080 0 9684 DPE 81 DPPE HN3 HCL 0.330000 1.0080 0 9685 DPE 81 DPPE C12 CTL2 0.130000 12.0110 0 9686 DPE 81 DPPE H12A HAL2 0.090000 1.0080 0 9687 DPE 81 DPPE H12B HAL2 0.090000 1.0080 0 9688 DPE 81 DPPE C11 CTL2 -0.080000 12.0110 0 9689 DPE 81 DPPE H11A HAL2 0.090000 1.0080 0 9690 DPE 81 DPPE H11B HAL2 0.090000 1.0080 0 9691 DPE 81 DPPE P PL 1.500000 30.9740 0 9692 DPE 81 DPPE O13 O2L -0.780000 15.9994 0 9693 DPE 81 DPPE O14 O2L -0.780000 15.9994 0 9694 DPE 81 DPPE O11 OSL -0.570000 15.9994 0 9695 DPE 81 DPPE O12 OSL -0.570000 15.9994 0 9696 DPE 81 DPPE C1 CTL2 -0.080000 12.0110 0 9697 DPE 81 DPPE HA HAL2 0.090000 1.0080 0 9698 DPE 81 DPPE HB HAL2 0.090000 1.0080 0 9699 DPE 81 DPPE C2 CTL1 0.040000 12.0110 0 9700 DPE 81 DPPE HS HAL1 0.090000 1.0080 0 9701 DPE 81 DPPE O21 OSL -0.340000 15.9994 0 9702 DPE 81 DPPE C21 CL 0.630000 12.0110 0 9703 DPE 81 DPPE O22 OBL -0.520000 15.9994 0 9704 DPE 81 DPPE C22 CTL2 -0.080000 12.0110 0 9705 DPE 81 DPPE H2R HAL2 0.090000 1.0080 0 9706 DPE 81 DPPE H2S HAL2 0.090000 1.0080 0 9707 DPE 81 DPPE C3 CTL2 -0.050000 12.0110 0 9708 DPE 81 DPPE HX HAL2 0.090000 1.0080 0 9709 DPE 81 DPPE HY HAL2 0.090000 1.0080 0 9710 DPE 81 DPPE O31 OSL -0.340000 15.9994 0 9711 DPE 81 DPPE C31 CL 0.630000 12.0110 0 9712 DPE 81 DPPE O32 OBL -0.520000 15.9994 0 9713 DPE 81 DPPE C32 CTL2 -0.080000 12.0110 0 9714 DPE 81 DPPE H2X HAL2 0.090000 1.0080 0 9715 DPE 81 DPPE H2Y HAL2 0.090000 1.0080 0 9716 DPE 81 DPPE C23 CTL2 -0.180000 12.0110 0 9717 DPE 81 DPPE H3R HAL2 0.090000 1.0080 0 9718 DPE 81 DPPE H3S HAL2 0.090000 1.0080 0 9719 DPE 81 DPPE C24 CTL2 -0.180000 12.0110 0 9720 DPE 81 DPPE H4R HAL2 0.090000 1.0080 0 9721 DPE 81 DPPE H4S HAL2 0.090000 1.0080 0 9722 DPE 81 DPPE C25 CTL2 -0.180000 12.0110 0 9723 DPE 81 DPPE H5R HAL2 0.090000 1.0080 0 9724 DPE 81 DPPE H5S HAL2 0.090000 1.0080 0 9725 DPE 81 DPPE C26 CTL2 -0.180000 12.0110 0 9726 DPE 81 DPPE H6R HAL2 0.090000 1.0080 0 9727 DPE 81 DPPE H6S HAL2 0.090000 1.0080 0 9728 DPE 81 DPPE C27 CTL2 -0.180000 12.0110 0 9729 DPE 81 DPPE H7R HAL2 0.090000 1.0080 0 9730 DPE 81 DPPE H7S HAL2 0.090000 1.0080 0 9731 DPE 81 DPPE C28 CTL2 -0.180000 12.0110 0 9732 DPE 81 DPPE H8R HAL2 0.090000 1.0080 0 9733 DPE 81 DPPE H8S HAL2 0.090000 1.0080 0 9734 DPE 81 DPPE C29 CTL2 -0.180000 12.0110 0 9735 DPE 81 DPPE H9R HAL2 0.090000 1.0080 0 9736 DPE 81 DPPE H9S HAL2 0.090000 1.0080 0 9737 DPE 81 DPPE C210 CTL2 -0.180000 12.0110 0 9738 DPE 81 DPPE H10R HAL2 0.090000 1.0080 0 9739 DPE 81 DPPE H10S HAL2 0.090000 1.0080 0 9740 DPE 81 DPPE C211 CTL2 -0.180000 12.0110 0 9741 DPE 81 DPPE H11R HAL2 0.090000 1.0080 0 9742 DPE 81 DPPE H11S HAL2 0.090000 1.0080 0 9743 DPE 81 DPPE C212 CTL2 -0.180000 12.0110 0 9744 DPE 81 DPPE H12R HAL2 0.090000 1.0080 0 9745 DPE 81 DPPE H12S HAL2 0.090000 1.0080 0 9746 DPE 81 DPPE C213 CTL2 -0.180000 12.0110 0 9747 DPE 81 DPPE H13R HAL2 0.090000 1.0080 0 9748 DPE 81 DPPE H13S HAL2 0.090000 1.0080 0 9749 DPE 81 DPPE C214 CTL2 -0.180000 12.0110 0 9750 DPE 81 DPPE H14R HAL2 0.090000 1.0080 0 9751 DPE 81 DPPE H14S HAL2 0.090000 1.0080 0 9752 DPE 81 DPPE C215 CTL2 -0.180000 12.0110 0 9753 DPE 81 DPPE H15R HAL2 0.090000 1.0080 0 9754 DPE 81 DPPE H15S HAL2 0.090000 1.0080 0 9755 DPE 81 DPPE C216 CTL3 -0.270000 12.0110 0 9756 DPE 81 DPPE H16R HAL3 0.090000 1.0080 0 9757 DPE 81 DPPE H16S HAL3 0.090000 1.0080 0 9758 DPE 81 DPPE H16T HAL3 0.090000 1.0080 0 9759 DPE 81 DPPE C33 CTL2 -0.180000 12.0110 0 9760 DPE 81 DPPE H3X HAL2 0.090000 1.0080 0 9761 DPE 81 DPPE H3Y HAL2 0.090000 1.0080 0 9762 DPE 81 DPPE C34 CTL2 -0.180000 12.0110 0 9763 DPE 81 DPPE H4X HAL2 0.090000 1.0080 0 9764 DPE 81 DPPE H4Y HAL2 0.090000 1.0080 0 9765 DPE 81 DPPE C35 CTL2 -0.180000 12.0110 0 9766 DPE 81 DPPE H5X HAL2 0.090000 1.0080 0 9767 DPE 81 DPPE H5Y HAL2 0.090000 1.0080 0 9768 DPE 81 DPPE C36 CTL2 -0.180000 12.0110 0 9769 DPE 81 DPPE H6X HAL2 0.090000 1.0080 0 9770 DPE 81 DPPE H6Y HAL2 0.090000 1.0080 0 9771 DPE 81 DPPE C37 CTL2 -0.180000 12.0110 0 9772 DPE 81 DPPE H7X HAL2 0.090000 1.0080 0 9773 DPE 81 DPPE H7Y HAL2 0.090000 1.0080 0 9774 DPE 81 DPPE C38 CTL2 -0.180000 12.0110 0 9775 DPE 81 DPPE H8X HAL2 0.090000 1.0080 0 9776 DPE 81 DPPE H8Y HAL2 0.090000 1.0080 0 9777 DPE 81 DPPE C39 CTL2 -0.180000 12.0110 0 9778 DPE 81 DPPE H9X HAL2 0.090000 1.0080 0 9779 DPE 81 DPPE H9Y HAL2 0.090000 1.0080 0 9780 DPE 81 DPPE C310 CTL2 -0.180000 12.0110 0 9781 DPE 81 DPPE H10X HAL2 0.090000 1.0080 0 9782 DPE 81 DPPE H10Y HAL2 0.090000 1.0080 0 9783 DPE 81 DPPE C311 CTL2 -0.180000 12.0110 0 9784 DPE 81 DPPE H11X HAL2 0.090000 1.0080 0 9785 DPE 81 DPPE H11Y HAL2 0.090000 1.0080 0 9786 DPE 81 DPPE C312 CTL2 -0.180000 12.0110 0 9787 DPE 81 DPPE H12X HAL2 0.090000 1.0080 0 9788 DPE 81 DPPE H12Y HAL2 0.090000 1.0080 0 9789 DPE 81 DPPE C313 CTL2 -0.180000 12.0110 0 9790 DPE 81 DPPE H13X HAL2 0.090000 1.0080 0 9791 DPE 81 DPPE H13Y HAL2 0.090000 1.0080 0 9792 DPE 81 DPPE C314 CTL2 -0.180000 12.0110 0 9793 DPE 81 DPPE H14X HAL2 0.090000 1.0080 0 9794 DPE 81 DPPE H14Y HAL2 0.090000 1.0080 0 9795 DPE 81 DPPE C315 CTL2 -0.180000 12.0110 0 9796 DPE 81 DPPE H15X HAL2 0.090000 1.0080 0 9797 DPE 81 DPPE H15Y HAL2 0.090000 1.0080 0 9798 DPE 81 DPPE C316 CTL3 -0.270000 12.0110 0 9799 DPE 81 DPPE H16X HAL3 0.090000 1.0080 0 9800 DPE 81 DPPE H16Y HAL3 0.090000 1.0080 0 9801 DPE 81 DPPE H16Z HAL3 0.090000 1.0080 0 9802 DPE 82 DPPE N NH3L -0.300000 14.0070 0 9803 DPE 82 DPPE HN1 HCL 0.330000 1.0080 0 9804 DPE 82 DPPE HN2 HCL 0.330000 1.0080 0 9805 DPE 82 DPPE HN3 HCL 0.330000 1.0080 0 9806 DPE 82 DPPE C12 CTL2 0.130000 12.0110 0 9807 DPE 82 DPPE H12A HAL2 0.090000 1.0080 0 9808 DPE 82 DPPE H12B HAL2 0.090000 1.0080 0 9809 DPE 82 DPPE C11 CTL2 -0.080000 12.0110 0 9810 DPE 82 DPPE H11A HAL2 0.090000 1.0080 0 9811 DPE 82 DPPE H11B HAL2 0.090000 1.0080 0 9812 DPE 82 DPPE P PL 1.500000 30.9740 0 9813 DPE 82 DPPE O13 O2L -0.780000 15.9994 0 9814 DPE 82 DPPE O14 O2L -0.780000 15.9994 0 9815 DPE 82 DPPE O11 OSL -0.570000 15.9994 0 9816 DPE 82 DPPE O12 OSL -0.570000 15.9994 0 9817 DPE 82 DPPE C1 CTL2 -0.080000 12.0110 0 9818 DPE 82 DPPE HA HAL2 0.090000 1.0080 0 9819 DPE 82 DPPE HB HAL2 0.090000 1.0080 0 9820 DPE 82 DPPE C2 CTL1 0.040000 12.0110 0 9821 DPE 82 DPPE HS HAL1 0.090000 1.0080 0 9822 DPE 82 DPPE O21 OSL -0.340000 15.9994 0 9823 DPE 82 DPPE C21 CL 0.630000 12.0110 0 9824 DPE 82 DPPE O22 OBL -0.520000 15.9994 0 9825 DPE 82 DPPE C22 CTL2 -0.080000 12.0110 0 9826 DPE 82 DPPE H2R HAL2 0.090000 1.0080 0 9827 DPE 82 DPPE H2S HAL2 0.090000 1.0080 0 9828 DPE 82 DPPE C3 CTL2 -0.050000 12.0110 0 9829 DPE 82 DPPE HX HAL2 0.090000 1.0080 0 9830 DPE 82 DPPE HY HAL2 0.090000 1.0080 0 9831 DPE 82 DPPE O31 OSL -0.340000 15.9994 0 9832 DPE 82 DPPE C31 CL 0.630000 12.0110 0 9833 DPE 82 DPPE O32 OBL -0.520000 15.9994 0 9834 DPE 82 DPPE C32 CTL2 -0.080000 12.0110 0 9835 DPE 82 DPPE H2X HAL2 0.090000 1.0080 0 9836 DPE 82 DPPE H2Y HAL2 0.090000 1.0080 0 9837 DPE 82 DPPE C23 CTL2 -0.180000 12.0110 0 9838 DPE 82 DPPE H3R HAL2 0.090000 1.0080 0 9839 DPE 82 DPPE H3S HAL2 0.090000 1.0080 0 9840 DPE 82 DPPE C24 CTL2 -0.180000 12.0110 0 9841 DPE 82 DPPE H4R HAL2 0.090000 1.0080 0 9842 DPE 82 DPPE H4S HAL2 0.090000 1.0080 0 9843 DPE 82 DPPE C25 CTL2 -0.180000 12.0110 0 9844 DPE 82 DPPE H5R HAL2 0.090000 1.0080 0 9845 DPE 82 DPPE H5S HAL2 0.090000 1.0080 0 9846 DPE 82 DPPE C26 CTL2 -0.180000 12.0110 0 9847 DPE 82 DPPE H6R HAL2 0.090000 1.0080 0 9848 DPE 82 DPPE H6S HAL2 0.090000 1.0080 0 9849 DPE 82 DPPE C27 CTL2 -0.180000 12.0110 0 9850 DPE 82 DPPE H7R HAL2 0.090000 1.0080 0 9851 DPE 82 DPPE H7S HAL2 0.090000 1.0080 0 9852 DPE 82 DPPE C28 CTL2 -0.180000 12.0110 0 9853 DPE 82 DPPE H8R HAL2 0.090000 1.0080 0 9854 DPE 82 DPPE H8S HAL2 0.090000 1.0080 0 9855 DPE 82 DPPE C29 CTL2 -0.180000 12.0110 0 9856 DPE 82 DPPE H9R HAL2 0.090000 1.0080 0 9857 DPE 82 DPPE H9S HAL2 0.090000 1.0080 0 9858 DPE 82 DPPE C210 CTL2 -0.180000 12.0110 0 9859 DPE 82 DPPE H10R HAL2 0.090000 1.0080 0 9860 DPE 82 DPPE H10S HAL2 0.090000 1.0080 0 9861 DPE 82 DPPE C211 CTL2 -0.180000 12.0110 0 9862 DPE 82 DPPE H11R HAL2 0.090000 1.0080 0 9863 DPE 82 DPPE H11S HAL2 0.090000 1.0080 0 9864 DPE 82 DPPE C212 CTL2 -0.180000 12.0110 0 9865 DPE 82 DPPE H12R HAL2 0.090000 1.0080 0 9866 DPE 82 DPPE H12S HAL2 0.090000 1.0080 0 9867 DPE 82 DPPE C213 CTL2 -0.180000 12.0110 0 9868 DPE 82 DPPE H13R HAL2 0.090000 1.0080 0 9869 DPE 82 DPPE H13S HAL2 0.090000 1.0080 0 9870 DPE 82 DPPE C214 CTL2 -0.180000 12.0110 0 9871 DPE 82 DPPE H14R HAL2 0.090000 1.0080 0 9872 DPE 82 DPPE H14S HAL2 0.090000 1.0080 0 9873 DPE 82 DPPE C215 CTL2 -0.180000 12.0110 0 9874 DPE 82 DPPE H15R HAL2 0.090000 1.0080 0 9875 DPE 82 DPPE H15S HAL2 0.090000 1.0080 0 9876 DPE 82 DPPE C216 CTL3 -0.270000 12.0110 0 9877 DPE 82 DPPE H16R HAL3 0.090000 1.0080 0 9878 DPE 82 DPPE H16S HAL3 0.090000 1.0080 0 9879 DPE 82 DPPE H16T HAL3 0.090000 1.0080 0 9880 DPE 82 DPPE C33 CTL2 -0.180000 12.0110 0 9881 DPE 82 DPPE H3X HAL2 0.090000 1.0080 0 9882 DPE 82 DPPE H3Y HAL2 0.090000 1.0080 0 9883 DPE 82 DPPE C34 CTL2 -0.180000 12.0110 0 9884 DPE 82 DPPE H4X HAL2 0.090000 1.0080 0 9885 DPE 82 DPPE H4Y HAL2 0.090000 1.0080 0 9886 DPE 82 DPPE C35 CTL2 -0.180000 12.0110 0 9887 DPE 82 DPPE H5X HAL2 0.090000 1.0080 0 9888 DPE 82 DPPE H5Y HAL2 0.090000 1.0080 0 9889 DPE 82 DPPE C36 CTL2 -0.180000 12.0110 0 9890 DPE 82 DPPE H6X HAL2 0.090000 1.0080 0 9891 DPE 82 DPPE H6Y HAL2 0.090000 1.0080 0 9892 DPE 82 DPPE C37 CTL2 -0.180000 12.0110 0 9893 DPE 82 DPPE H7X HAL2 0.090000 1.0080 0 9894 DPE 82 DPPE H7Y HAL2 0.090000 1.0080 0 9895 DPE 82 DPPE C38 CTL2 -0.180000 12.0110 0 9896 DPE 82 DPPE H8X HAL2 0.090000 1.0080 0 9897 DPE 82 DPPE H8Y HAL2 0.090000 1.0080 0 9898 DPE 82 DPPE C39 CTL2 -0.180000 12.0110 0 9899 DPE 82 DPPE H9X HAL2 0.090000 1.0080 0 9900 DPE 82 DPPE H9Y HAL2 0.090000 1.0080 0 9901 DPE 82 DPPE C310 CTL2 -0.180000 12.0110 0 9902 DPE 82 DPPE H10X HAL2 0.090000 1.0080 0 9903 DPE 82 DPPE H10Y HAL2 0.090000 1.0080 0 9904 DPE 82 DPPE C311 CTL2 -0.180000 12.0110 0 9905 DPE 82 DPPE H11X HAL2 0.090000 1.0080 0 9906 DPE 82 DPPE H11Y HAL2 0.090000 1.0080 0 9907 DPE 82 DPPE C312 CTL2 -0.180000 12.0110 0 9908 DPE 82 DPPE H12X HAL2 0.090000 1.0080 0 9909 DPE 82 DPPE H12Y HAL2 0.090000 1.0080 0 9910 DPE 82 DPPE C313 CTL2 -0.180000 12.0110 0 9911 DPE 82 DPPE H13X HAL2 0.090000 1.0080 0 9912 DPE 82 DPPE H13Y HAL2 0.090000 1.0080 0 9913 DPE 82 DPPE C314 CTL2 -0.180000 12.0110 0 9914 DPE 82 DPPE H14X HAL2 0.090000 1.0080 0 9915 DPE 82 DPPE H14Y HAL2 0.090000 1.0080 0 9916 DPE 82 DPPE C315 CTL2 -0.180000 12.0110 0 9917 DPE 82 DPPE H15X HAL2 0.090000 1.0080 0 9918 DPE 82 DPPE H15Y HAL2 0.090000 1.0080 0 9919 DPE 82 DPPE C316 CTL3 -0.270000 12.0110 0 9920 DPE 82 DPPE H16X HAL3 0.090000 1.0080 0 9921 DPE 82 DPPE H16Y HAL3 0.090000 1.0080 0 9922 DPE 82 DPPE H16Z HAL3 0.090000 1.0080 0 9923 DPE 83 DPPE N NH3L -0.300000 14.0070 0 9924 DPE 83 DPPE HN1 HCL 0.330000 1.0080 0 9925 DPE 83 DPPE HN2 HCL 0.330000 1.0080 0 9926 DPE 83 DPPE HN3 HCL 0.330000 1.0080 0 9927 DPE 83 DPPE C12 CTL2 0.130000 12.0110 0 9928 DPE 83 DPPE H12A HAL2 0.090000 1.0080 0 9929 DPE 83 DPPE H12B HAL2 0.090000 1.0080 0 9930 DPE 83 DPPE C11 CTL2 -0.080000 12.0110 0 9931 DPE 83 DPPE H11A HAL2 0.090000 1.0080 0 9932 DPE 83 DPPE H11B HAL2 0.090000 1.0080 0 9933 DPE 83 DPPE P PL 1.500000 30.9740 0 9934 DPE 83 DPPE O13 O2L -0.780000 15.9994 0 9935 DPE 83 DPPE O14 O2L -0.780000 15.9994 0 9936 DPE 83 DPPE O11 OSL -0.570000 15.9994 0 9937 DPE 83 DPPE O12 OSL -0.570000 15.9994 0 9938 DPE 83 DPPE C1 CTL2 -0.080000 12.0110 0 9939 DPE 83 DPPE HA HAL2 0.090000 1.0080 0 9940 DPE 83 DPPE HB HAL2 0.090000 1.0080 0 9941 DPE 83 DPPE C2 CTL1 0.040000 12.0110 0 9942 DPE 83 DPPE HS HAL1 0.090000 1.0080 0 9943 DPE 83 DPPE O21 OSL -0.340000 15.9994 0 9944 DPE 83 DPPE C21 CL 0.630000 12.0110 0 9945 DPE 83 DPPE O22 OBL -0.520000 15.9994 0 9946 DPE 83 DPPE C22 CTL2 -0.080000 12.0110 0 9947 DPE 83 DPPE H2R HAL2 0.090000 1.0080 0 9948 DPE 83 DPPE H2S HAL2 0.090000 1.0080 0 9949 DPE 83 DPPE C3 CTL2 -0.050000 12.0110 0 9950 DPE 83 DPPE HX HAL2 0.090000 1.0080 0 9951 DPE 83 DPPE HY HAL2 0.090000 1.0080 0 9952 DPE 83 DPPE O31 OSL -0.340000 15.9994 0 9953 DPE 83 DPPE C31 CL 0.630000 12.0110 0 9954 DPE 83 DPPE O32 OBL -0.520000 15.9994 0 9955 DPE 83 DPPE C32 CTL2 -0.080000 12.0110 0 9956 DPE 83 DPPE H2X HAL2 0.090000 1.0080 0 9957 DPE 83 DPPE H2Y HAL2 0.090000 1.0080 0 9958 DPE 83 DPPE C23 CTL2 -0.180000 12.0110 0 9959 DPE 83 DPPE H3R HAL2 0.090000 1.0080 0 9960 DPE 83 DPPE H3S HAL2 0.090000 1.0080 0 9961 DPE 83 DPPE C24 CTL2 -0.180000 12.0110 0 9962 DPE 83 DPPE H4R HAL2 0.090000 1.0080 0 9963 DPE 83 DPPE H4S HAL2 0.090000 1.0080 0 9964 DPE 83 DPPE C25 CTL2 -0.180000 12.0110 0 9965 DPE 83 DPPE H5R HAL2 0.090000 1.0080 0 9966 DPE 83 DPPE H5S HAL2 0.090000 1.0080 0 9967 DPE 83 DPPE C26 CTL2 -0.180000 12.0110 0 9968 DPE 83 DPPE H6R HAL2 0.090000 1.0080 0 9969 DPE 83 DPPE H6S HAL2 0.090000 1.0080 0 9970 DPE 83 DPPE C27 CTL2 -0.180000 12.0110 0 9971 DPE 83 DPPE H7R HAL2 0.090000 1.0080 0 9972 DPE 83 DPPE H7S HAL2 0.090000 1.0080 0 9973 DPE 83 DPPE C28 CTL2 -0.180000 12.0110 0 9974 DPE 83 DPPE H8R HAL2 0.090000 1.0080 0 9975 DPE 83 DPPE H8S HAL2 0.090000 1.0080 0 9976 DPE 83 DPPE C29 CTL2 -0.180000 12.0110 0 9977 DPE 83 DPPE H9R HAL2 0.090000 1.0080 0 9978 DPE 83 DPPE H9S HAL2 0.090000 1.0080 0 9979 DPE 83 DPPE C210 CTL2 -0.180000 12.0110 0 9980 DPE 83 DPPE H10R HAL2 0.090000 1.0080 0 9981 DPE 83 DPPE H10S HAL2 0.090000 1.0080 0 9982 DPE 83 DPPE C211 CTL2 -0.180000 12.0110 0 9983 DPE 83 DPPE H11R HAL2 0.090000 1.0080 0 9984 DPE 83 DPPE H11S HAL2 0.090000 1.0080 0 9985 DPE 83 DPPE C212 CTL2 -0.180000 12.0110 0 9986 DPE 83 DPPE H12R HAL2 0.090000 1.0080 0 9987 DPE 83 DPPE H12S HAL2 0.090000 1.0080 0 9988 DPE 83 DPPE C213 CTL2 -0.180000 12.0110 0 9989 DPE 83 DPPE H13R HAL2 0.090000 1.0080 0 9990 DPE 83 DPPE H13S HAL2 0.090000 1.0080 0 9991 DPE 83 DPPE C214 CTL2 -0.180000 12.0110 0 9992 DPE 83 DPPE H14R HAL2 0.090000 1.0080 0 9993 DPE 83 DPPE H14S HAL2 0.090000 1.0080 0 9994 DPE 83 DPPE C215 CTL2 -0.180000 12.0110 0 9995 DPE 83 DPPE H15R HAL2 0.090000 1.0080 0 9996 DPE 83 DPPE H15S HAL2 0.090000 1.0080 0 9997 DPE 83 DPPE C216 CTL3 -0.270000 12.0110 0 9998 DPE 83 DPPE H16R HAL3 0.090000 1.0080 0 9999 DPE 83 DPPE H16S HAL3 0.090000 1.0080 0 10000 DPE 83 DPPE H16T HAL3 0.090000 1.0080 0 10001 DPE 83 DPPE C33 CTL2 -0.180000 12.0110 0 10002 DPE 83 DPPE H3X HAL2 0.090000 1.0080 0 10003 DPE 83 DPPE H3Y HAL2 0.090000 1.0080 0 10004 DPE 83 DPPE C34 CTL2 -0.180000 12.0110 0 10005 DPE 83 DPPE H4X HAL2 0.090000 1.0080 0 10006 DPE 83 DPPE H4Y HAL2 0.090000 1.0080 0 10007 DPE 83 DPPE C35 CTL2 -0.180000 12.0110 0 10008 DPE 83 DPPE H5X HAL2 0.090000 1.0080 0 10009 DPE 83 DPPE H5Y HAL2 0.090000 1.0080 0 10010 DPE 83 DPPE C36 CTL2 -0.180000 12.0110 0 10011 DPE 83 DPPE H6X HAL2 0.090000 1.0080 0 10012 DPE 83 DPPE H6Y HAL2 0.090000 1.0080 0 10013 DPE 83 DPPE C37 CTL2 -0.180000 12.0110 0 10014 DPE 83 DPPE H7X HAL2 0.090000 1.0080 0 10015 DPE 83 DPPE H7Y HAL2 0.090000 1.0080 0 10016 DPE 83 DPPE C38 CTL2 -0.180000 12.0110 0 10017 DPE 83 DPPE H8X HAL2 0.090000 1.0080 0 10018 DPE 83 DPPE H8Y HAL2 0.090000 1.0080 0 10019 DPE 83 DPPE C39 CTL2 -0.180000 12.0110 0 10020 DPE 83 DPPE H9X HAL2 0.090000 1.0080 0 10021 DPE 83 DPPE H9Y HAL2 0.090000 1.0080 0 10022 DPE 83 DPPE C310 CTL2 -0.180000 12.0110 0 10023 DPE 83 DPPE H10X HAL2 0.090000 1.0080 0 10024 DPE 83 DPPE H10Y HAL2 0.090000 1.0080 0 10025 DPE 83 DPPE C311 CTL2 -0.180000 12.0110 0 10026 DPE 83 DPPE H11X HAL2 0.090000 1.0080 0 10027 DPE 83 DPPE H11Y HAL2 0.090000 1.0080 0 10028 DPE 83 DPPE C312 CTL2 -0.180000 12.0110 0 10029 DPE 83 DPPE H12X HAL2 0.090000 1.0080 0 10030 DPE 83 DPPE H12Y HAL2 0.090000 1.0080 0 10031 DPE 83 DPPE C313 CTL2 -0.180000 12.0110 0 10032 DPE 83 DPPE H13X HAL2 0.090000 1.0080 0 10033 DPE 83 DPPE H13Y HAL2 0.090000 1.0080 0 10034 DPE 83 DPPE C314 CTL2 -0.180000 12.0110 0 10035 DPE 83 DPPE H14X HAL2 0.090000 1.0080 0 10036 DPE 83 DPPE H14Y HAL2 0.090000 1.0080 0 10037 DPE 83 DPPE C315 CTL2 -0.180000 12.0110 0 10038 DPE 83 DPPE H15X HAL2 0.090000 1.0080 0 10039 DPE 83 DPPE H15Y HAL2 0.090000 1.0080 0 10040 DPE 83 DPPE C316 CTL3 -0.270000 12.0110 0 10041 DPE 83 DPPE H16X HAL3 0.090000 1.0080 0 10042 DPE 83 DPPE H16Y HAL3 0.090000 1.0080 0 10043 DPE 83 DPPE H16Z HAL3 0.090000 1.0080 0 10044 DPE 84 DPPE N NH3L -0.300000 14.0070 0 10045 DPE 84 DPPE HN1 HCL 0.330000 1.0080 0 10046 DPE 84 DPPE HN2 HCL 0.330000 1.0080 0 10047 DPE 84 DPPE HN3 HCL 0.330000 1.0080 0 10048 DPE 84 DPPE C12 CTL2 0.130000 12.0110 0 10049 DPE 84 DPPE H12A HAL2 0.090000 1.0080 0 10050 DPE 84 DPPE H12B HAL2 0.090000 1.0080 0 10051 DPE 84 DPPE C11 CTL2 -0.080000 12.0110 0 10052 DPE 84 DPPE H11A HAL2 0.090000 1.0080 0 10053 DPE 84 DPPE H11B HAL2 0.090000 1.0080 0 10054 DPE 84 DPPE P PL 1.500000 30.9740 0 10055 DPE 84 DPPE O13 O2L -0.780000 15.9994 0 10056 DPE 84 DPPE O14 O2L -0.780000 15.9994 0 10057 DPE 84 DPPE O11 OSL -0.570000 15.9994 0 10058 DPE 84 DPPE O12 OSL -0.570000 15.9994 0 10059 DPE 84 DPPE C1 CTL2 -0.080000 12.0110 0 10060 DPE 84 DPPE HA HAL2 0.090000 1.0080 0 10061 DPE 84 DPPE HB HAL2 0.090000 1.0080 0 10062 DPE 84 DPPE C2 CTL1 0.040000 12.0110 0 10063 DPE 84 DPPE HS HAL1 0.090000 1.0080 0 10064 DPE 84 DPPE O21 OSL -0.340000 15.9994 0 10065 DPE 84 DPPE C21 CL 0.630000 12.0110 0 10066 DPE 84 DPPE O22 OBL -0.520000 15.9994 0 10067 DPE 84 DPPE C22 CTL2 -0.080000 12.0110 0 10068 DPE 84 DPPE H2R HAL2 0.090000 1.0080 0 10069 DPE 84 DPPE H2S HAL2 0.090000 1.0080 0 10070 DPE 84 DPPE C3 CTL2 -0.050000 12.0110 0 10071 DPE 84 DPPE HX HAL2 0.090000 1.0080 0 10072 DPE 84 DPPE HY HAL2 0.090000 1.0080 0 10073 DPE 84 DPPE O31 OSL -0.340000 15.9994 0 10074 DPE 84 DPPE C31 CL 0.630000 12.0110 0 10075 DPE 84 DPPE O32 OBL -0.520000 15.9994 0 10076 DPE 84 DPPE C32 CTL2 -0.080000 12.0110 0 10077 DPE 84 DPPE H2X HAL2 0.090000 1.0080 0 10078 DPE 84 DPPE H2Y HAL2 0.090000 1.0080 0 10079 DPE 84 DPPE C23 CTL2 -0.180000 12.0110 0 10080 DPE 84 DPPE H3R HAL2 0.090000 1.0080 0 10081 DPE 84 DPPE H3S HAL2 0.090000 1.0080 0 10082 DPE 84 DPPE C24 CTL2 -0.180000 12.0110 0 10083 DPE 84 DPPE H4R HAL2 0.090000 1.0080 0 10084 DPE 84 DPPE H4S HAL2 0.090000 1.0080 0 10085 DPE 84 DPPE C25 CTL2 -0.180000 12.0110 0 10086 DPE 84 DPPE H5R HAL2 0.090000 1.0080 0 10087 DPE 84 DPPE H5S HAL2 0.090000 1.0080 0 10088 DPE 84 DPPE C26 CTL2 -0.180000 12.0110 0 10089 DPE 84 DPPE H6R HAL2 0.090000 1.0080 0 10090 DPE 84 DPPE H6S HAL2 0.090000 1.0080 0 10091 DPE 84 DPPE C27 CTL2 -0.180000 12.0110 0 10092 DPE 84 DPPE H7R HAL2 0.090000 1.0080 0 10093 DPE 84 DPPE H7S HAL2 0.090000 1.0080 0 10094 DPE 84 DPPE C28 CTL2 -0.180000 12.0110 0 10095 DPE 84 DPPE H8R HAL2 0.090000 1.0080 0 10096 DPE 84 DPPE H8S HAL2 0.090000 1.0080 0 10097 DPE 84 DPPE C29 CTL2 -0.180000 12.0110 0 10098 DPE 84 DPPE H9R HAL2 0.090000 1.0080 0 10099 DPE 84 DPPE H9S HAL2 0.090000 1.0080 0 10100 DPE 84 DPPE C210 CTL2 -0.180000 12.0110 0 10101 DPE 84 DPPE H10R HAL2 0.090000 1.0080 0 10102 DPE 84 DPPE H10S HAL2 0.090000 1.0080 0 10103 DPE 84 DPPE C211 CTL2 -0.180000 12.0110 0 10104 DPE 84 DPPE H11R HAL2 0.090000 1.0080 0 10105 DPE 84 DPPE H11S HAL2 0.090000 1.0080 0 10106 DPE 84 DPPE C212 CTL2 -0.180000 12.0110 0 10107 DPE 84 DPPE H12R HAL2 0.090000 1.0080 0 10108 DPE 84 DPPE H12S HAL2 0.090000 1.0080 0 10109 DPE 84 DPPE C213 CTL2 -0.180000 12.0110 0 10110 DPE 84 DPPE H13R HAL2 0.090000 1.0080 0 10111 DPE 84 DPPE H13S HAL2 0.090000 1.0080 0 10112 DPE 84 DPPE C214 CTL2 -0.180000 12.0110 0 10113 DPE 84 DPPE H14R HAL2 0.090000 1.0080 0 10114 DPE 84 DPPE H14S HAL2 0.090000 1.0080 0 10115 DPE 84 DPPE C215 CTL2 -0.180000 12.0110 0 10116 DPE 84 DPPE H15R HAL2 0.090000 1.0080 0 10117 DPE 84 DPPE H15S HAL2 0.090000 1.0080 0 10118 DPE 84 DPPE C216 CTL3 -0.270000 12.0110 0 10119 DPE 84 DPPE H16R HAL3 0.090000 1.0080 0 10120 DPE 84 DPPE H16S HAL3 0.090000 1.0080 0 10121 DPE 84 DPPE H16T HAL3 0.090000 1.0080 0 10122 DPE 84 DPPE C33 CTL2 -0.180000 12.0110 0 10123 DPE 84 DPPE H3X HAL2 0.090000 1.0080 0 10124 DPE 84 DPPE H3Y HAL2 0.090000 1.0080 0 10125 DPE 84 DPPE C34 CTL2 -0.180000 12.0110 0 10126 DPE 84 DPPE H4X HAL2 0.090000 1.0080 0 10127 DPE 84 DPPE H4Y HAL2 0.090000 1.0080 0 10128 DPE 84 DPPE C35 CTL2 -0.180000 12.0110 0 10129 DPE 84 DPPE H5X HAL2 0.090000 1.0080 0 10130 DPE 84 DPPE H5Y HAL2 0.090000 1.0080 0 10131 DPE 84 DPPE C36 CTL2 -0.180000 12.0110 0 10132 DPE 84 DPPE H6X HAL2 0.090000 1.0080 0 10133 DPE 84 DPPE H6Y HAL2 0.090000 1.0080 0 10134 DPE 84 DPPE C37 CTL2 -0.180000 12.0110 0 10135 DPE 84 DPPE H7X HAL2 0.090000 1.0080 0 10136 DPE 84 DPPE H7Y HAL2 0.090000 1.0080 0 10137 DPE 84 DPPE C38 CTL2 -0.180000 12.0110 0 10138 DPE 84 DPPE H8X HAL2 0.090000 1.0080 0 10139 DPE 84 DPPE H8Y HAL2 0.090000 1.0080 0 10140 DPE 84 DPPE C39 CTL2 -0.180000 12.0110 0 10141 DPE 84 DPPE H9X HAL2 0.090000 1.0080 0 10142 DPE 84 DPPE H9Y HAL2 0.090000 1.0080 0 10143 DPE 84 DPPE C310 CTL2 -0.180000 12.0110 0 10144 DPE 84 DPPE H10X HAL2 0.090000 1.0080 0 10145 DPE 84 DPPE H10Y HAL2 0.090000 1.0080 0 10146 DPE 84 DPPE C311 CTL2 -0.180000 12.0110 0 10147 DPE 84 DPPE H11X HAL2 0.090000 1.0080 0 10148 DPE 84 DPPE H11Y HAL2 0.090000 1.0080 0 10149 DPE 84 DPPE C312 CTL2 -0.180000 12.0110 0 10150 DPE 84 DPPE H12X HAL2 0.090000 1.0080 0 10151 DPE 84 DPPE H12Y HAL2 0.090000 1.0080 0 10152 DPE 84 DPPE C313 CTL2 -0.180000 12.0110 0 10153 DPE 84 DPPE H13X HAL2 0.090000 1.0080 0 10154 DPE 84 DPPE H13Y HAL2 0.090000 1.0080 0 10155 DPE 84 DPPE C314 CTL2 -0.180000 12.0110 0 10156 DPE 84 DPPE H14X HAL2 0.090000 1.0080 0 10157 DPE 84 DPPE H14Y HAL2 0.090000 1.0080 0 10158 DPE 84 DPPE C315 CTL2 -0.180000 12.0110 0 10159 DPE 84 DPPE H15X HAL2 0.090000 1.0080 0 10160 DPE 84 DPPE H15Y HAL2 0.090000 1.0080 0 10161 DPE 84 DPPE C316 CTL3 -0.270000 12.0110 0 10162 DPE 84 DPPE H16X HAL3 0.090000 1.0080 0 10163 DPE 84 DPPE H16Y HAL3 0.090000 1.0080 0 10164 DPE 84 DPPE H16Z HAL3 0.090000 1.0080 0 10165 DPE 85 DPPE N NH3L -0.300000 14.0070 0 10166 DPE 85 DPPE HN1 HCL 0.330000 1.0080 0 10167 DPE 85 DPPE HN2 HCL 0.330000 1.0080 0 10168 DPE 85 DPPE HN3 HCL 0.330000 1.0080 0 10169 DPE 85 DPPE C12 CTL2 0.130000 12.0110 0 10170 DPE 85 DPPE H12A HAL2 0.090000 1.0080 0 10171 DPE 85 DPPE H12B HAL2 0.090000 1.0080 0 10172 DPE 85 DPPE C11 CTL2 -0.080000 12.0110 0 10173 DPE 85 DPPE H11A HAL2 0.090000 1.0080 0 10174 DPE 85 DPPE H11B HAL2 0.090000 1.0080 0 10175 DPE 85 DPPE P PL 1.500000 30.9740 0 10176 DPE 85 DPPE O13 O2L -0.780000 15.9994 0 10177 DPE 85 DPPE O14 O2L -0.780000 15.9994 0 10178 DPE 85 DPPE O11 OSL -0.570000 15.9994 0 10179 DPE 85 DPPE O12 OSL -0.570000 15.9994 0 10180 DPE 85 DPPE C1 CTL2 -0.080000 12.0110 0 10181 DPE 85 DPPE HA HAL2 0.090000 1.0080 0 10182 DPE 85 DPPE HB HAL2 0.090000 1.0080 0 10183 DPE 85 DPPE C2 CTL1 0.040000 12.0110 0 10184 DPE 85 DPPE HS HAL1 0.090000 1.0080 0 10185 DPE 85 DPPE O21 OSL -0.340000 15.9994 0 10186 DPE 85 DPPE C21 CL 0.630000 12.0110 0 10187 DPE 85 DPPE O22 OBL -0.520000 15.9994 0 10188 DPE 85 DPPE C22 CTL2 -0.080000 12.0110 0 10189 DPE 85 DPPE H2R HAL2 0.090000 1.0080 0 10190 DPE 85 DPPE H2S HAL2 0.090000 1.0080 0 10191 DPE 85 DPPE C3 CTL2 -0.050000 12.0110 0 10192 DPE 85 DPPE HX HAL2 0.090000 1.0080 0 10193 DPE 85 DPPE HY HAL2 0.090000 1.0080 0 10194 DPE 85 DPPE O31 OSL -0.340000 15.9994 0 10195 DPE 85 DPPE C31 CL 0.630000 12.0110 0 10196 DPE 85 DPPE O32 OBL -0.520000 15.9994 0 10197 DPE 85 DPPE C32 CTL2 -0.080000 12.0110 0 10198 DPE 85 DPPE H2X HAL2 0.090000 1.0080 0 10199 DPE 85 DPPE H2Y HAL2 0.090000 1.0080 0 10200 DPE 85 DPPE C23 CTL2 -0.180000 12.0110 0 10201 DPE 85 DPPE H3R HAL2 0.090000 1.0080 0 10202 DPE 85 DPPE H3S HAL2 0.090000 1.0080 0 10203 DPE 85 DPPE C24 CTL2 -0.180000 12.0110 0 10204 DPE 85 DPPE H4R HAL2 0.090000 1.0080 0 10205 DPE 85 DPPE H4S HAL2 0.090000 1.0080 0 10206 DPE 85 DPPE C25 CTL2 -0.180000 12.0110 0 10207 DPE 85 DPPE H5R HAL2 0.090000 1.0080 0 10208 DPE 85 DPPE H5S HAL2 0.090000 1.0080 0 10209 DPE 85 DPPE C26 CTL2 -0.180000 12.0110 0 10210 DPE 85 DPPE H6R HAL2 0.090000 1.0080 0 10211 DPE 85 DPPE H6S HAL2 0.090000 1.0080 0 10212 DPE 85 DPPE C27 CTL2 -0.180000 12.0110 0 10213 DPE 85 DPPE H7R HAL2 0.090000 1.0080 0 10214 DPE 85 DPPE H7S HAL2 0.090000 1.0080 0 10215 DPE 85 DPPE C28 CTL2 -0.180000 12.0110 0 10216 DPE 85 DPPE H8R HAL2 0.090000 1.0080 0 10217 DPE 85 DPPE H8S HAL2 0.090000 1.0080 0 10218 DPE 85 DPPE C29 CTL2 -0.180000 12.0110 0 10219 DPE 85 DPPE H9R HAL2 0.090000 1.0080 0 10220 DPE 85 DPPE H9S HAL2 0.090000 1.0080 0 10221 DPE 85 DPPE C210 CTL2 -0.180000 12.0110 0 10222 DPE 85 DPPE H10R HAL2 0.090000 1.0080 0 10223 DPE 85 DPPE H10S HAL2 0.090000 1.0080 0 10224 DPE 85 DPPE C211 CTL2 -0.180000 12.0110 0 10225 DPE 85 DPPE H11R HAL2 0.090000 1.0080 0 10226 DPE 85 DPPE H11S HAL2 0.090000 1.0080 0 10227 DPE 85 DPPE C212 CTL2 -0.180000 12.0110 0 10228 DPE 85 DPPE H12R HAL2 0.090000 1.0080 0 10229 DPE 85 DPPE H12S HAL2 0.090000 1.0080 0 10230 DPE 85 DPPE C213 CTL2 -0.180000 12.0110 0 10231 DPE 85 DPPE H13R HAL2 0.090000 1.0080 0 10232 DPE 85 DPPE H13S HAL2 0.090000 1.0080 0 10233 DPE 85 DPPE C214 CTL2 -0.180000 12.0110 0 10234 DPE 85 DPPE H14R HAL2 0.090000 1.0080 0 10235 DPE 85 DPPE H14S HAL2 0.090000 1.0080 0 10236 DPE 85 DPPE C215 CTL2 -0.180000 12.0110 0 10237 DPE 85 DPPE H15R HAL2 0.090000 1.0080 0 10238 DPE 85 DPPE H15S HAL2 0.090000 1.0080 0 10239 DPE 85 DPPE C216 CTL3 -0.270000 12.0110 0 10240 DPE 85 DPPE H16R HAL3 0.090000 1.0080 0 10241 DPE 85 DPPE H16S HAL3 0.090000 1.0080 0 10242 DPE 85 DPPE H16T HAL3 0.090000 1.0080 0 10243 DPE 85 DPPE C33 CTL2 -0.180000 12.0110 0 10244 DPE 85 DPPE H3X HAL2 0.090000 1.0080 0 10245 DPE 85 DPPE H3Y HAL2 0.090000 1.0080 0 10246 DPE 85 DPPE C34 CTL2 -0.180000 12.0110 0 10247 DPE 85 DPPE H4X HAL2 0.090000 1.0080 0 10248 DPE 85 DPPE H4Y HAL2 0.090000 1.0080 0 10249 DPE 85 DPPE C35 CTL2 -0.180000 12.0110 0 10250 DPE 85 DPPE H5X HAL2 0.090000 1.0080 0 10251 DPE 85 DPPE H5Y HAL2 0.090000 1.0080 0 10252 DPE 85 DPPE C36 CTL2 -0.180000 12.0110 0 10253 DPE 85 DPPE H6X HAL2 0.090000 1.0080 0 10254 DPE 85 DPPE H6Y HAL2 0.090000 1.0080 0 10255 DPE 85 DPPE C37 CTL2 -0.180000 12.0110 0 10256 DPE 85 DPPE H7X HAL2 0.090000 1.0080 0 10257 DPE 85 DPPE H7Y HAL2 0.090000 1.0080 0 10258 DPE 85 DPPE C38 CTL2 -0.180000 12.0110 0 10259 DPE 85 DPPE H8X HAL2 0.090000 1.0080 0 10260 DPE 85 DPPE H8Y HAL2 0.090000 1.0080 0 10261 DPE 85 DPPE C39 CTL2 -0.180000 12.0110 0 10262 DPE 85 DPPE H9X HAL2 0.090000 1.0080 0 10263 DPE 85 DPPE H9Y HAL2 0.090000 1.0080 0 10264 DPE 85 DPPE C310 CTL2 -0.180000 12.0110 0 10265 DPE 85 DPPE H10X HAL2 0.090000 1.0080 0 10266 DPE 85 DPPE H10Y HAL2 0.090000 1.0080 0 10267 DPE 85 DPPE C311 CTL2 -0.180000 12.0110 0 10268 DPE 85 DPPE H11X HAL2 0.090000 1.0080 0 10269 DPE 85 DPPE H11Y HAL2 0.090000 1.0080 0 10270 DPE 85 DPPE C312 CTL2 -0.180000 12.0110 0 10271 DPE 85 DPPE H12X HAL2 0.090000 1.0080 0 10272 DPE 85 DPPE H12Y HAL2 0.090000 1.0080 0 10273 DPE 85 DPPE C313 CTL2 -0.180000 12.0110 0 10274 DPE 85 DPPE H13X HAL2 0.090000 1.0080 0 10275 DPE 85 DPPE H13Y HAL2 0.090000 1.0080 0 10276 DPE 85 DPPE C314 CTL2 -0.180000 12.0110 0 10277 DPE 85 DPPE H14X HAL2 0.090000 1.0080 0 10278 DPE 85 DPPE H14Y HAL2 0.090000 1.0080 0 10279 DPE 85 DPPE C315 CTL2 -0.180000 12.0110 0 10280 DPE 85 DPPE H15X HAL2 0.090000 1.0080 0 10281 DPE 85 DPPE H15Y HAL2 0.090000 1.0080 0 10282 DPE 85 DPPE C316 CTL3 -0.270000 12.0110 0 10283 DPE 85 DPPE H16X HAL3 0.090000 1.0080 0 10284 DPE 85 DPPE H16Y HAL3 0.090000 1.0080 0 10285 DPE 85 DPPE H16Z HAL3 0.090000 1.0080 0 10286 DPE 86 DPPE N NH3L -0.300000 14.0070 0 10287 DPE 86 DPPE HN1 HCL 0.330000 1.0080 0 10288 DPE 86 DPPE HN2 HCL 0.330000 1.0080 0 10289 DPE 86 DPPE HN3 HCL 0.330000 1.0080 0 10290 DPE 86 DPPE C12 CTL2 0.130000 12.0110 0 10291 DPE 86 DPPE H12A HAL2 0.090000 1.0080 0 10292 DPE 86 DPPE H12B HAL2 0.090000 1.0080 0 10293 DPE 86 DPPE C11 CTL2 -0.080000 12.0110 0 10294 DPE 86 DPPE H11A HAL2 0.090000 1.0080 0 10295 DPE 86 DPPE H11B HAL2 0.090000 1.0080 0 10296 DPE 86 DPPE P PL 1.500000 30.9740 0 10297 DPE 86 DPPE O13 O2L -0.780000 15.9994 0 10298 DPE 86 DPPE O14 O2L -0.780000 15.9994 0 10299 DPE 86 DPPE O11 OSL -0.570000 15.9994 0 10300 DPE 86 DPPE O12 OSL -0.570000 15.9994 0 10301 DPE 86 DPPE C1 CTL2 -0.080000 12.0110 0 10302 DPE 86 DPPE HA HAL2 0.090000 1.0080 0 10303 DPE 86 DPPE HB HAL2 0.090000 1.0080 0 10304 DPE 86 DPPE C2 CTL1 0.040000 12.0110 0 10305 DPE 86 DPPE HS HAL1 0.090000 1.0080 0 10306 DPE 86 DPPE O21 OSL -0.340000 15.9994 0 10307 DPE 86 DPPE C21 CL 0.630000 12.0110 0 10308 DPE 86 DPPE O22 OBL -0.520000 15.9994 0 10309 DPE 86 DPPE C22 CTL2 -0.080000 12.0110 0 10310 DPE 86 DPPE H2R HAL2 0.090000 1.0080 0 10311 DPE 86 DPPE H2S HAL2 0.090000 1.0080 0 10312 DPE 86 DPPE C3 CTL2 -0.050000 12.0110 0 10313 DPE 86 DPPE HX HAL2 0.090000 1.0080 0 10314 DPE 86 DPPE HY HAL2 0.090000 1.0080 0 10315 DPE 86 DPPE O31 OSL -0.340000 15.9994 0 10316 DPE 86 DPPE C31 CL 0.630000 12.0110 0 10317 DPE 86 DPPE O32 OBL -0.520000 15.9994 0 10318 DPE 86 DPPE C32 CTL2 -0.080000 12.0110 0 10319 DPE 86 DPPE H2X HAL2 0.090000 1.0080 0 10320 DPE 86 DPPE H2Y HAL2 0.090000 1.0080 0 10321 DPE 86 DPPE C23 CTL2 -0.180000 12.0110 0 10322 DPE 86 DPPE H3R HAL2 0.090000 1.0080 0 10323 DPE 86 DPPE H3S HAL2 0.090000 1.0080 0 10324 DPE 86 DPPE C24 CTL2 -0.180000 12.0110 0 10325 DPE 86 DPPE H4R HAL2 0.090000 1.0080 0 10326 DPE 86 DPPE H4S HAL2 0.090000 1.0080 0 10327 DPE 86 DPPE C25 CTL2 -0.180000 12.0110 0 10328 DPE 86 DPPE H5R HAL2 0.090000 1.0080 0 10329 DPE 86 DPPE H5S HAL2 0.090000 1.0080 0 10330 DPE 86 DPPE C26 CTL2 -0.180000 12.0110 0 10331 DPE 86 DPPE H6R HAL2 0.090000 1.0080 0 10332 DPE 86 DPPE H6S HAL2 0.090000 1.0080 0 10333 DPE 86 DPPE C27 CTL2 -0.180000 12.0110 0 10334 DPE 86 DPPE H7R HAL2 0.090000 1.0080 0 10335 DPE 86 DPPE H7S HAL2 0.090000 1.0080 0 10336 DPE 86 DPPE C28 CTL2 -0.180000 12.0110 0 10337 DPE 86 DPPE H8R HAL2 0.090000 1.0080 0 10338 DPE 86 DPPE H8S HAL2 0.090000 1.0080 0 10339 DPE 86 DPPE C29 CTL2 -0.180000 12.0110 0 10340 DPE 86 DPPE H9R HAL2 0.090000 1.0080 0 10341 DPE 86 DPPE H9S HAL2 0.090000 1.0080 0 10342 DPE 86 DPPE C210 CTL2 -0.180000 12.0110 0 10343 DPE 86 DPPE H10R HAL2 0.090000 1.0080 0 10344 DPE 86 DPPE H10S HAL2 0.090000 1.0080 0 10345 DPE 86 DPPE C211 CTL2 -0.180000 12.0110 0 10346 DPE 86 DPPE H11R HAL2 0.090000 1.0080 0 10347 DPE 86 DPPE H11S HAL2 0.090000 1.0080 0 10348 DPE 86 DPPE C212 CTL2 -0.180000 12.0110 0 10349 DPE 86 DPPE H12R HAL2 0.090000 1.0080 0 10350 DPE 86 DPPE H12S HAL2 0.090000 1.0080 0 10351 DPE 86 DPPE C213 CTL2 -0.180000 12.0110 0 10352 DPE 86 DPPE H13R HAL2 0.090000 1.0080 0 10353 DPE 86 DPPE H13S HAL2 0.090000 1.0080 0 10354 DPE 86 DPPE C214 CTL2 -0.180000 12.0110 0 10355 DPE 86 DPPE H14R HAL2 0.090000 1.0080 0 10356 DPE 86 DPPE H14S HAL2 0.090000 1.0080 0 10357 DPE 86 DPPE C215 CTL2 -0.180000 12.0110 0 10358 DPE 86 DPPE H15R HAL2 0.090000 1.0080 0 10359 DPE 86 DPPE H15S HAL2 0.090000 1.0080 0 10360 DPE 86 DPPE C216 CTL3 -0.270000 12.0110 0 10361 DPE 86 DPPE H16R HAL3 0.090000 1.0080 0 10362 DPE 86 DPPE H16S HAL3 0.090000 1.0080 0 10363 DPE 86 DPPE H16T HAL3 0.090000 1.0080 0 10364 DPE 86 DPPE C33 CTL2 -0.180000 12.0110 0 10365 DPE 86 DPPE H3X HAL2 0.090000 1.0080 0 10366 DPE 86 DPPE H3Y HAL2 0.090000 1.0080 0 10367 DPE 86 DPPE C34 CTL2 -0.180000 12.0110 0 10368 DPE 86 DPPE H4X HAL2 0.090000 1.0080 0 10369 DPE 86 DPPE H4Y HAL2 0.090000 1.0080 0 10370 DPE 86 DPPE C35 CTL2 -0.180000 12.0110 0 10371 DPE 86 DPPE H5X HAL2 0.090000 1.0080 0 10372 DPE 86 DPPE H5Y HAL2 0.090000 1.0080 0 10373 DPE 86 DPPE C36 CTL2 -0.180000 12.0110 0 10374 DPE 86 DPPE H6X HAL2 0.090000 1.0080 0 10375 DPE 86 DPPE H6Y HAL2 0.090000 1.0080 0 10376 DPE 86 DPPE C37 CTL2 -0.180000 12.0110 0 10377 DPE 86 DPPE H7X HAL2 0.090000 1.0080 0 10378 DPE 86 DPPE H7Y HAL2 0.090000 1.0080 0 10379 DPE 86 DPPE C38 CTL2 -0.180000 12.0110 0 10380 DPE 86 DPPE H8X HAL2 0.090000 1.0080 0 10381 DPE 86 DPPE H8Y HAL2 0.090000 1.0080 0 10382 DPE 86 DPPE C39 CTL2 -0.180000 12.0110 0 10383 DPE 86 DPPE H9X HAL2 0.090000 1.0080 0 10384 DPE 86 DPPE H9Y HAL2 0.090000 1.0080 0 10385 DPE 86 DPPE C310 CTL2 -0.180000 12.0110 0 10386 DPE 86 DPPE H10X HAL2 0.090000 1.0080 0 10387 DPE 86 DPPE H10Y HAL2 0.090000 1.0080 0 10388 DPE 86 DPPE C311 CTL2 -0.180000 12.0110 0 10389 DPE 86 DPPE H11X HAL2 0.090000 1.0080 0 10390 DPE 86 DPPE H11Y HAL2 0.090000 1.0080 0 10391 DPE 86 DPPE C312 CTL2 -0.180000 12.0110 0 10392 DPE 86 DPPE H12X HAL2 0.090000 1.0080 0 10393 DPE 86 DPPE H12Y HAL2 0.090000 1.0080 0 10394 DPE 86 DPPE C313 CTL2 -0.180000 12.0110 0 10395 DPE 86 DPPE H13X HAL2 0.090000 1.0080 0 10396 DPE 86 DPPE H13Y HAL2 0.090000 1.0080 0 10397 DPE 86 DPPE C314 CTL2 -0.180000 12.0110 0 10398 DPE 86 DPPE H14X HAL2 0.090000 1.0080 0 10399 DPE 86 DPPE H14Y HAL2 0.090000 1.0080 0 10400 DPE 86 DPPE C315 CTL2 -0.180000 12.0110 0 10401 DPE 86 DPPE H15X HAL2 0.090000 1.0080 0 10402 DPE 86 DPPE H15Y HAL2 0.090000 1.0080 0 10403 DPE 86 DPPE C316 CTL3 -0.270000 12.0110 0 10404 DPE 86 DPPE H16X HAL3 0.090000 1.0080 0 10405 DPE 86 DPPE H16Y HAL3 0.090000 1.0080 0 10406 DPE 86 DPPE H16Z HAL3 0.090000 1.0080 0 10407 DPE 87 DPPE N NH3L -0.300000 14.0070 0 10408 DPE 87 DPPE HN1 HCL 0.330000 1.0080 0 10409 DPE 87 DPPE HN2 HCL 0.330000 1.0080 0 10410 DPE 87 DPPE HN3 HCL 0.330000 1.0080 0 10411 DPE 87 DPPE C12 CTL2 0.130000 12.0110 0 10412 DPE 87 DPPE H12A HAL2 0.090000 1.0080 0 10413 DPE 87 DPPE H12B HAL2 0.090000 1.0080 0 10414 DPE 87 DPPE C11 CTL2 -0.080000 12.0110 0 10415 DPE 87 DPPE H11A HAL2 0.090000 1.0080 0 10416 DPE 87 DPPE H11B HAL2 0.090000 1.0080 0 10417 DPE 87 DPPE P PL 1.500000 30.9740 0 10418 DPE 87 DPPE O13 O2L -0.780000 15.9994 0 10419 DPE 87 DPPE O14 O2L -0.780000 15.9994 0 10420 DPE 87 DPPE O11 OSL -0.570000 15.9994 0 10421 DPE 87 DPPE O12 OSL -0.570000 15.9994 0 10422 DPE 87 DPPE C1 CTL2 -0.080000 12.0110 0 10423 DPE 87 DPPE HA HAL2 0.090000 1.0080 0 10424 DPE 87 DPPE HB HAL2 0.090000 1.0080 0 10425 DPE 87 DPPE C2 CTL1 0.040000 12.0110 0 10426 DPE 87 DPPE HS HAL1 0.090000 1.0080 0 10427 DPE 87 DPPE O21 OSL -0.340000 15.9994 0 10428 DPE 87 DPPE C21 CL 0.630000 12.0110 0 10429 DPE 87 DPPE O22 OBL -0.520000 15.9994 0 10430 DPE 87 DPPE C22 CTL2 -0.080000 12.0110 0 10431 DPE 87 DPPE H2R HAL2 0.090000 1.0080 0 10432 DPE 87 DPPE H2S HAL2 0.090000 1.0080 0 10433 DPE 87 DPPE C3 CTL2 -0.050000 12.0110 0 10434 DPE 87 DPPE HX HAL2 0.090000 1.0080 0 10435 DPE 87 DPPE HY HAL2 0.090000 1.0080 0 10436 DPE 87 DPPE O31 OSL -0.340000 15.9994 0 10437 DPE 87 DPPE C31 CL 0.630000 12.0110 0 10438 DPE 87 DPPE O32 OBL -0.520000 15.9994 0 10439 DPE 87 DPPE C32 CTL2 -0.080000 12.0110 0 10440 DPE 87 DPPE H2X HAL2 0.090000 1.0080 0 10441 DPE 87 DPPE H2Y HAL2 0.090000 1.0080 0 10442 DPE 87 DPPE C23 CTL2 -0.180000 12.0110 0 10443 DPE 87 DPPE H3R HAL2 0.090000 1.0080 0 10444 DPE 87 DPPE H3S HAL2 0.090000 1.0080 0 10445 DPE 87 DPPE C24 CTL2 -0.180000 12.0110 0 10446 DPE 87 DPPE H4R HAL2 0.090000 1.0080 0 10447 DPE 87 DPPE H4S HAL2 0.090000 1.0080 0 10448 DPE 87 DPPE C25 CTL2 -0.180000 12.0110 0 10449 DPE 87 DPPE H5R HAL2 0.090000 1.0080 0 10450 DPE 87 DPPE H5S HAL2 0.090000 1.0080 0 10451 DPE 87 DPPE C26 CTL2 -0.180000 12.0110 0 10452 DPE 87 DPPE H6R HAL2 0.090000 1.0080 0 10453 DPE 87 DPPE H6S HAL2 0.090000 1.0080 0 10454 DPE 87 DPPE C27 CTL2 -0.180000 12.0110 0 10455 DPE 87 DPPE H7R HAL2 0.090000 1.0080 0 10456 DPE 87 DPPE H7S HAL2 0.090000 1.0080 0 10457 DPE 87 DPPE C28 CTL2 -0.180000 12.0110 0 10458 DPE 87 DPPE H8R HAL2 0.090000 1.0080 0 10459 DPE 87 DPPE H8S HAL2 0.090000 1.0080 0 10460 DPE 87 DPPE C29 CTL2 -0.180000 12.0110 0 10461 DPE 87 DPPE H9R HAL2 0.090000 1.0080 0 10462 DPE 87 DPPE H9S HAL2 0.090000 1.0080 0 10463 DPE 87 DPPE C210 CTL2 -0.180000 12.0110 0 10464 DPE 87 DPPE H10R HAL2 0.090000 1.0080 0 10465 DPE 87 DPPE H10S HAL2 0.090000 1.0080 0 10466 DPE 87 DPPE C211 CTL2 -0.180000 12.0110 0 10467 DPE 87 DPPE H11R HAL2 0.090000 1.0080 0 10468 DPE 87 DPPE H11S HAL2 0.090000 1.0080 0 10469 DPE 87 DPPE C212 CTL2 -0.180000 12.0110 0 10470 DPE 87 DPPE H12R HAL2 0.090000 1.0080 0 10471 DPE 87 DPPE H12S HAL2 0.090000 1.0080 0 10472 DPE 87 DPPE C213 CTL2 -0.180000 12.0110 0 10473 DPE 87 DPPE H13R HAL2 0.090000 1.0080 0 10474 DPE 87 DPPE H13S HAL2 0.090000 1.0080 0 10475 DPE 87 DPPE C214 CTL2 -0.180000 12.0110 0 10476 DPE 87 DPPE H14R HAL2 0.090000 1.0080 0 10477 DPE 87 DPPE H14S HAL2 0.090000 1.0080 0 10478 DPE 87 DPPE C215 CTL2 -0.180000 12.0110 0 10479 DPE 87 DPPE H15R HAL2 0.090000 1.0080 0 10480 DPE 87 DPPE H15S HAL2 0.090000 1.0080 0 10481 DPE 87 DPPE C216 CTL3 -0.270000 12.0110 0 10482 DPE 87 DPPE H16R HAL3 0.090000 1.0080 0 10483 DPE 87 DPPE H16S HAL3 0.090000 1.0080 0 10484 DPE 87 DPPE H16T HAL3 0.090000 1.0080 0 10485 DPE 87 DPPE C33 CTL2 -0.180000 12.0110 0 10486 DPE 87 DPPE H3X HAL2 0.090000 1.0080 0 10487 DPE 87 DPPE H3Y HAL2 0.090000 1.0080 0 10488 DPE 87 DPPE C34 CTL2 -0.180000 12.0110 0 10489 DPE 87 DPPE H4X HAL2 0.090000 1.0080 0 10490 DPE 87 DPPE H4Y HAL2 0.090000 1.0080 0 10491 DPE 87 DPPE C35 CTL2 -0.180000 12.0110 0 10492 DPE 87 DPPE H5X HAL2 0.090000 1.0080 0 10493 DPE 87 DPPE H5Y HAL2 0.090000 1.0080 0 10494 DPE 87 DPPE C36 CTL2 -0.180000 12.0110 0 10495 DPE 87 DPPE H6X HAL2 0.090000 1.0080 0 10496 DPE 87 DPPE H6Y HAL2 0.090000 1.0080 0 10497 DPE 87 DPPE C37 CTL2 -0.180000 12.0110 0 10498 DPE 87 DPPE H7X HAL2 0.090000 1.0080 0 10499 DPE 87 DPPE H7Y HAL2 0.090000 1.0080 0 10500 DPE 87 DPPE C38 CTL2 -0.180000 12.0110 0 10501 DPE 87 DPPE H8X HAL2 0.090000 1.0080 0 10502 DPE 87 DPPE H8Y HAL2 0.090000 1.0080 0 10503 DPE 87 DPPE C39 CTL2 -0.180000 12.0110 0 10504 DPE 87 DPPE H9X HAL2 0.090000 1.0080 0 10505 DPE 87 DPPE H9Y HAL2 0.090000 1.0080 0 10506 DPE 87 DPPE C310 CTL2 -0.180000 12.0110 0 10507 DPE 87 DPPE H10X HAL2 0.090000 1.0080 0 10508 DPE 87 DPPE H10Y HAL2 0.090000 1.0080 0 10509 DPE 87 DPPE C311 CTL2 -0.180000 12.0110 0 10510 DPE 87 DPPE H11X HAL2 0.090000 1.0080 0 10511 DPE 87 DPPE H11Y HAL2 0.090000 1.0080 0 10512 DPE 87 DPPE C312 CTL2 -0.180000 12.0110 0 10513 DPE 87 DPPE H12X HAL2 0.090000 1.0080 0 10514 DPE 87 DPPE H12Y HAL2 0.090000 1.0080 0 10515 DPE 87 DPPE C313 CTL2 -0.180000 12.0110 0 10516 DPE 87 DPPE H13X HAL2 0.090000 1.0080 0 10517 DPE 87 DPPE H13Y HAL2 0.090000 1.0080 0 10518 DPE 87 DPPE C314 CTL2 -0.180000 12.0110 0 10519 DPE 87 DPPE H14X HAL2 0.090000 1.0080 0 10520 DPE 87 DPPE H14Y HAL2 0.090000 1.0080 0 10521 DPE 87 DPPE C315 CTL2 -0.180000 12.0110 0 10522 DPE 87 DPPE H15X HAL2 0.090000 1.0080 0 10523 DPE 87 DPPE H15Y HAL2 0.090000 1.0080 0 10524 DPE 87 DPPE C316 CTL3 -0.270000 12.0110 0 10525 DPE 87 DPPE H16X HAL3 0.090000 1.0080 0 10526 DPE 87 DPPE H16Y HAL3 0.090000 1.0080 0 10527 DPE 87 DPPE H16Z HAL3 0.090000 1.0080 0 10528 DPE 88 DPPE N NH3L -0.300000 14.0070 0 10529 DPE 88 DPPE HN1 HCL 0.330000 1.0080 0 10530 DPE 88 DPPE HN2 HCL 0.330000 1.0080 0 10531 DPE 88 DPPE HN3 HCL 0.330000 1.0080 0 10532 DPE 88 DPPE C12 CTL2 0.130000 12.0110 0 10533 DPE 88 DPPE H12A HAL2 0.090000 1.0080 0 10534 DPE 88 DPPE H12B HAL2 0.090000 1.0080 0 10535 DPE 88 DPPE C11 CTL2 -0.080000 12.0110 0 10536 DPE 88 DPPE H11A HAL2 0.090000 1.0080 0 10537 DPE 88 DPPE H11B HAL2 0.090000 1.0080 0 10538 DPE 88 DPPE P PL 1.500000 30.9740 0 10539 DPE 88 DPPE O13 O2L -0.780000 15.9994 0 10540 DPE 88 DPPE O14 O2L -0.780000 15.9994 0 10541 DPE 88 DPPE O11 OSL -0.570000 15.9994 0 10542 DPE 88 DPPE O12 OSL -0.570000 15.9994 0 10543 DPE 88 DPPE C1 CTL2 -0.080000 12.0110 0 10544 DPE 88 DPPE HA HAL2 0.090000 1.0080 0 10545 DPE 88 DPPE HB HAL2 0.090000 1.0080 0 10546 DPE 88 DPPE C2 CTL1 0.040000 12.0110 0 10547 DPE 88 DPPE HS HAL1 0.090000 1.0080 0 10548 DPE 88 DPPE O21 OSL -0.340000 15.9994 0 10549 DPE 88 DPPE C21 CL 0.630000 12.0110 0 10550 DPE 88 DPPE O22 OBL -0.520000 15.9994 0 10551 DPE 88 DPPE C22 CTL2 -0.080000 12.0110 0 10552 DPE 88 DPPE H2R HAL2 0.090000 1.0080 0 10553 DPE 88 DPPE H2S HAL2 0.090000 1.0080 0 10554 DPE 88 DPPE C3 CTL2 -0.050000 12.0110 0 10555 DPE 88 DPPE HX HAL2 0.090000 1.0080 0 10556 DPE 88 DPPE HY HAL2 0.090000 1.0080 0 10557 DPE 88 DPPE O31 OSL -0.340000 15.9994 0 10558 DPE 88 DPPE C31 CL 0.630000 12.0110 0 10559 DPE 88 DPPE O32 OBL -0.520000 15.9994 0 10560 DPE 88 DPPE C32 CTL2 -0.080000 12.0110 0 10561 DPE 88 DPPE H2X HAL2 0.090000 1.0080 0 10562 DPE 88 DPPE H2Y HAL2 0.090000 1.0080 0 10563 DPE 88 DPPE C23 CTL2 -0.180000 12.0110 0 10564 DPE 88 DPPE H3R HAL2 0.090000 1.0080 0 10565 DPE 88 DPPE H3S HAL2 0.090000 1.0080 0 10566 DPE 88 DPPE C24 CTL2 -0.180000 12.0110 0 10567 DPE 88 DPPE H4R HAL2 0.090000 1.0080 0 10568 DPE 88 DPPE H4S HAL2 0.090000 1.0080 0 10569 DPE 88 DPPE C25 CTL2 -0.180000 12.0110 0 10570 DPE 88 DPPE H5R HAL2 0.090000 1.0080 0 10571 DPE 88 DPPE H5S HAL2 0.090000 1.0080 0 10572 DPE 88 DPPE C26 CTL2 -0.180000 12.0110 0 10573 DPE 88 DPPE H6R HAL2 0.090000 1.0080 0 10574 DPE 88 DPPE H6S HAL2 0.090000 1.0080 0 10575 DPE 88 DPPE C27 CTL2 -0.180000 12.0110 0 10576 DPE 88 DPPE H7R HAL2 0.090000 1.0080 0 10577 DPE 88 DPPE H7S HAL2 0.090000 1.0080 0 10578 DPE 88 DPPE C28 CTL2 -0.180000 12.0110 0 10579 DPE 88 DPPE H8R HAL2 0.090000 1.0080 0 10580 DPE 88 DPPE H8S HAL2 0.090000 1.0080 0 10581 DPE 88 DPPE C29 CTL2 -0.180000 12.0110 0 10582 DPE 88 DPPE H9R HAL2 0.090000 1.0080 0 10583 DPE 88 DPPE H9S HAL2 0.090000 1.0080 0 10584 DPE 88 DPPE C210 CTL2 -0.180000 12.0110 0 10585 DPE 88 DPPE H10R HAL2 0.090000 1.0080 0 10586 DPE 88 DPPE H10S HAL2 0.090000 1.0080 0 10587 DPE 88 DPPE C211 CTL2 -0.180000 12.0110 0 10588 DPE 88 DPPE H11R HAL2 0.090000 1.0080 0 10589 DPE 88 DPPE H11S HAL2 0.090000 1.0080 0 10590 DPE 88 DPPE C212 CTL2 -0.180000 12.0110 0 10591 DPE 88 DPPE H12R HAL2 0.090000 1.0080 0 10592 DPE 88 DPPE H12S HAL2 0.090000 1.0080 0 10593 DPE 88 DPPE C213 CTL2 -0.180000 12.0110 0 10594 DPE 88 DPPE H13R HAL2 0.090000 1.0080 0 10595 DPE 88 DPPE H13S HAL2 0.090000 1.0080 0 10596 DPE 88 DPPE C214 CTL2 -0.180000 12.0110 0 10597 DPE 88 DPPE H14R HAL2 0.090000 1.0080 0 10598 DPE 88 DPPE H14S HAL2 0.090000 1.0080 0 10599 DPE 88 DPPE C215 CTL2 -0.180000 12.0110 0 10600 DPE 88 DPPE H15R HAL2 0.090000 1.0080 0 10601 DPE 88 DPPE H15S HAL2 0.090000 1.0080 0 10602 DPE 88 DPPE C216 CTL3 -0.270000 12.0110 0 10603 DPE 88 DPPE H16R HAL3 0.090000 1.0080 0 10604 DPE 88 DPPE H16S HAL3 0.090000 1.0080 0 10605 DPE 88 DPPE H16T HAL3 0.090000 1.0080 0 10606 DPE 88 DPPE C33 CTL2 -0.180000 12.0110 0 10607 DPE 88 DPPE H3X HAL2 0.090000 1.0080 0 10608 DPE 88 DPPE H3Y HAL2 0.090000 1.0080 0 10609 DPE 88 DPPE C34 CTL2 -0.180000 12.0110 0 10610 DPE 88 DPPE H4X HAL2 0.090000 1.0080 0 10611 DPE 88 DPPE H4Y HAL2 0.090000 1.0080 0 10612 DPE 88 DPPE C35 CTL2 -0.180000 12.0110 0 10613 DPE 88 DPPE H5X HAL2 0.090000 1.0080 0 10614 DPE 88 DPPE H5Y HAL2 0.090000 1.0080 0 10615 DPE 88 DPPE C36 CTL2 -0.180000 12.0110 0 10616 DPE 88 DPPE H6X HAL2 0.090000 1.0080 0 10617 DPE 88 DPPE H6Y HAL2 0.090000 1.0080 0 10618 DPE 88 DPPE C37 CTL2 -0.180000 12.0110 0 10619 DPE 88 DPPE H7X HAL2 0.090000 1.0080 0 10620 DPE 88 DPPE H7Y HAL2 0.090000 1.0080 0 10621 DPE 88 DPPE C38 CTL2 -0.180000 12.0110 0 10622 DPE 88 DPPE H8X HAL2 0.090000 1.0080 0 10623 DPE 88 DPPE H8Y HAL2 0.090000 1.0080 0 10624 DPE 88 DPPE C39 CTL2 -0.180000 12.0110 0 10625 DPE 88 DPPE H9X HAL2 0.090000 1.0080 0 10626 DPE 88 DPPE H9Y HAL2 0.090000 1.0080 0 10627 DPE 88 DPPE C310 CTL2 -0.180000 12.0110 0 10628 DPE 88 DPPE H10X HAL2 0.090000 1.0080 0 10629 DPE 88 DPPE H10Y HAL2 0.090000 1.0080 0 10630 DPE 88 DPPE C311 CTL2 -0.180000 12.0110 0 10631 DPE 88 DPPE H11X HAL2 0.090000 1.0080 0 10632 DPE 88 DPPE H11Y HAL2 0.090000 1.0080 0 10633 DPE 88 DPPE C312 CTL2 -0.180000 12.0110 0 10634 DPE 88 DPPE H12X HAL2 0.090000 1.0080 0 10635 DPE 88 DPPE H12Y HAL2 0.090000 1.0080 0 10636 DPE 88 DPPE C313 CTL2 -0.180000 12.0110 0 10637 DPE 88 DPPE H13X HAL2 0.090000 1.0080 0 10638 DPE 88 DPPE H13Y HAL2 0.090000 1.0080 0 10639 DPE 88 DPPE C314 CTL2 -0.180000 12.0110 0 10640 DPE 88 DPPE H14X HAL2 0.090000 1.0080 0 10641 DPE 88 DPPE H14Y HAL2 0.090000 1.0080 0 10642 DPE 88 DPPE C315 CTL2 -0.180000 12.0110 0 10643 DPE 88 DPPE H15X HAL2 0.090000 1.0080 0 10644 DPE 88 DPPE H15Y HAL2 0.090000 1.0080 0 10645 DPE 88 DPPE C316 CTL3 -0.270000 12.0110 0 10646 DPE 88 DPPE H16X HAL3 0.090000 1.0080 0 10647 DPE 88 DPPE H16Y HAL3 0.090000 1.0080 0 10648 DPE 88 DPPE H16Z HAL3 0.090000 1.0080 0 10649 DPE 89 DPPE N NH3L -0.300000 14.0070 0 10650 DPE 89 DPPE HN1 HCL 0.330000 1.0080 0 10651 DPE 89 DPPE HN2 HCL 0.330000 1.0080 0 10652 DPE 89 DPPE HN3 HCL 0.330000 1.0080 0 10653 DPE 89 DPPE C12 CTL2 0.130000 12.0110 0 10654 DPE 89 DPPE H12A HAL2 0.090000 1.0080 0 10655 DPE 89 DPPE H12B HAL2 0.090000 1.0080 0 10656 DPE 89 DPPE C11 CTL2 -0.080000 12.0110 0 10657 DPE 89 DPPE H11A HAL2 0.090000 1.0080 0 10658 DPE 89 DPPE H11B HAL2 0.090000 1.0080 0 10659 DPE 89 DPPE P PL 1.500000 30.9740 0 10660 DPE 89 DPPE O13 O2L -0.780000 15.9994 0 10661 DPE 89 DPPE O14 O2L -0.780000 15.9994 0 10662 DPE 89 DPPE O11 OSL -0.570000 15.9994 0 10663 DPE 89 DPPE O12 OSL -0.570000 15.9994 0 10664 DPE 89 DPPE C1 CTL2 -0.080000 12.0110 0 10665 DPE 89 DPPE HA HAL2 0.090000 1.0080 0 10666 DPE 89 DPPE HB HAL2 0.090000 1.0080 0 10667 DPE 89 DPPE C2 CTL1 0.040000 12.0110 0 10668 DPE 89 DPPE HS HAL1 0.090000 1.0080 0 10669 DPE 89 DPPE O21 OSL -0.340000 15.9994 0 10670 DPE 89 DPPE C21 CL 0.630000 12.0110 0 10671 DPE 89 DPPE O22 OBL -0.520000 15.9994 0 10672 DPE 89 DPPE C22 CTL2 -0.080000 12.0110 0 10673 DPE 89 DPPE H2R HAL2 0.090000 1.0080 0 10674 DPE 89 DPPE H2S HAL2 0.090000 1.0080 0 10675 DPE 89 DPPE C3 CTL2 -0.050000 12.0110 0 10676 DPE 89 DPPE HX HAL2 0.090000 1.0080 0 10677 DPE 89 DPPE HY HAL2 0.090000 1.0080 0 10678 DPE 89 DPPE O31 OSL -0.340000 15.9994 0 10679 DPE 89 DPPE C31 CL 0.630000 12.0110 0 10680 DPE 89 DPPE O32 OBL -0.520000 15.9994 0 10681 DPE 89 DPPE C32 CTL2 -0.080000 12.0110 0 10682 DPE 89 DPPE H2X HAL2 0.090000 1.0080 0 10683 DPE 89 DPPE H2Y HAL2 0.090000 1.0080 0 10684 DPE 89 DPPE C23 CTL2 -0.180000 12.0110 0 10685 DPE 89 DPPE H3R HAL2 0.090000 1.0080 0 10686 DPE 89 DPPE H3S HAL2 0.090000 1.0080 0 10687 DPE 89 DPPE C24 CTL2 -0.180000 12.0110 0 10688 DPE 89 DPPE H4R HAL2 0.090000 1.0080 0 10689 DPE 89 DPPE H4S HAL2 0.090000 1.0080 0 10690 DPE 89 DPPE C25 CTL2 -0.180000 12.0110 0 10691 DPE 89 DPPE H5R HAL2 0.090000 1.0080 0 10692 DPE 89 DPPE H5S HAL2 0.090000 1.0080 0 10693 DPE 89 DPPE C26 CTL2 -0.180000 12.0110 0 10694 DPE 89 DPPE H6R HAL2 0.090000 1.0080 0 10695 DPE 89 DPPE H6S HAL2 0.090000 1.0080 0 10696 DPE 89 DPPE C27 CTL2 -0.180000 12.0110 0 10697 DPE 89 DPPE H7R HAL2 0.090000 1.0080 0 10698 DPE 89 DPPE H7S HAL2 0.090000 1.0080 0 10699 DPE 89 DPPE C28 CTL2 -0.180000 12.0110 0 10700 DPE 89 DPPE H8R HAL2 0.090000 1.0080 0 10701 DPE 89 DPPE H8S HAL2 0.090000 1.0080 0 10702 DPE 89 DPPE C29 CTL2 -0.180000 12.0110 0 10703 DPE 89 DPPE H9R HAL2 0.090000 1.0080 0 10704 DPE 89 DPPE H9S HAL2 0.090000 1.0080 0 10705 DPE 89 DPPE C210 CTL2 -0.180000 12.0110 0 10706 DPE 89 DPPE H10R HAL2 0.090000 1.0080 0 10707 DPE 89 DPPE H10S HAL2 0.090000 1.0080 0 10708 DPE 89 DPPE C211 CTL2 -0.180000 12.0110 0 10709 DPE 89 DPPE H11R HAL2 0.090000 1.0080 0 10710 DPE 89 DPPE H11S HAL2 0.090000 1.0080 0 10711 DPE 89 DPPE C212 CTL2 -0.180000 12.0110 0 10712 DPE 89 DPPE H12R HAL2 0.090000 1.0080 0 10713 DPE 89 DPPE H12S HAL2 0.090000 1.0080 0 10714 DPE 89 DPPE C213 CTL2 -0.180000 12.0110 0 10715 DPE 89 DPPE H13R HAL2 0.090000 1.0080 0 10716 DPE 89 DPPE H13S HAL2 0.090000 1.0080 0 10717 DPE 89 DPPE C214 CTL2 -0.180000 12.0110 0 10718 DPE 89 DPPE H14R HAL2 0.090000 1.0080 0 10719 DPE 89 DPPE H14S HAL2 0.090000 1.0080 0 10720 DPE 89 DPPE C215 CTL2 -0.180000 12.0110 0 10721 DPE 89 DPPE H15R HAL2 0.090000 1.0080 0 10722 DPE 89 DPPE H15S HAL2 0.090000 1.0080 0 10723 DPE 89 DPPE C216 CTL3 -0.270000 12.0110 0 10724 DPE 89 DPPE H16R HAL3 0.090000 1.0080 0 10725 DPE 89 DPPE H16S HAL3 0.090000 1.0080 0 10726 DPE 89 DPPE H16T HAL3 0.090000 1.0080 0 10727 DPE 89 DPPE C33 CTL2 -0.180000 12.0110 0 10728 DPE 89 DPPE H3X HAL2 0.090000 1.0080 0 10729 DPE 89 DPPE H3Y HAL2 0.090000 1.0080 0 10730 DPE 89 DPPE C34 CTL2 -0.180000 12.0110 0 10731 DPE 89 DPPE H4X HAL2 0.090000 1.0080 0 10732 DPE 89 DPPE H4Y HAL2 0.090000 1.0080 0 10733 DPE 89 DPPE C35 CTL2 -0.180000 12.0110 0 10734 DPE 89 DPPE H5X HAL2 0.090000 1.0080 0 10735 DPE 89 DPPE H5Y HAL2 0.090000 1.0080 0 10736 DPE 89 DPPE C36 CTL2 -0.180000 12.0110 0 10737 DPE 89 DPPE H6X HAL2 0.090000 1.0080 0 10738 DPE 89 DPPE H6Y HAL2 0.090000 1.0080 0 10739 DPE 89 DPPE C37 CTL2 -0.180000 12.0110 0 10740 DPE 89 DPPE H7X HAL2 0.090000 1.0080 0 10741 DPE 89 DPPE H7Y HAL2 0.090000 1.0080 0 10742 DPE 89 DPPE C38 CTL2 -0.180000 12.0110 0 10743 DPE 89 DPPE H8X HAL2 0.090000 1.0080 0 10744 DPE 89 DPPE H8Y HAL2 0.090000 1.0080 0 10745 DPE 89 DPPE C39 CTL2 -0.180000 12.0110 0 10746 DPE 89 DPPE H9X HAL2 0.090000 1.0080 0 10747 DPE 89 DPPE H9Y HAL2 0.090000 1.0080 0 10748 DPE 89 DPPE C310 CTL2 -0.180000 12.0110 0 10749 DPE 89 DPPE H10X HAL2 0.090000 1.0080 0 10750 DPE 89 DPPE H10Y HAL2 0.090000 1.0080 0 10751 DPE 89 DPPE C311 CTL2 -0.180000 12.0110 0 10752 DPE 89 DPPE H11X HAL2 0.090000 1.0080 0 10753 DPE 89 DPPE H11Y HAL2 0.090000 1.0080 0 10754 DPE 89 DPPE C312 CTL2 -0.180000 12.0110 0 10755 DPE 89 DPPE H12X HAL2 0.090000 1.0080 0 10756 DPE 89 DPPE H12Y HAL2 0.090000 1.0080 0 10757 DPE 89 DPPE C313 CTL2 -0.180000 12.0110 0 10758 DPE 89 DPPE H13X HAL2 0.090000 1.0080 0 10759 DPE 89 DPPE H13Y HAL2 0.090000 1.0080 0 10760 DPE 89 DPPE C314 CTL2 -0.180000 12.0110 0 10761 DPE 89 DPPE H14X HAL2 0.090000 1.0080 0 10762 DPE 89 DPPE H14Y HAL2 0.090000 1.0080 0 10763 DPE 89 DPPE C315 CTL2 -0.180000 12.0110 0 10764 DPE 89 DPPE H15X HAL2 0.090000 1.0080 0 10765 DPE 89 DPPE H15Y HAL2 0.090000 1.0080 0 10766 DPE 89 DPPE C316 CTL3 -0.270000 12.0110 0 10767 DPE 89 DPPE H16X HAL3 0.090000 1.0080 0 10768 DPE 89 DPPE H16Y HAL3 0.090000 1.0080 0 10769 DPE 89 DPPE H16Z HAL3 0.090000 1.0080 0 10770 DPE 90 DPPE N NH3L -0.300000 14.0070 0 10771 DPE 90 DPPE HN1 HCL 0.330000 1.0080 0 10772 DPE 90 DPPE HN2 HCL 0.330000 1.0080 0 10773 DPE 90 DPPE HN3 HCL 0.330000 1.0080 0 10774 DPE 90 DPPE C12 CTL2 0.130000 12.0110 0 10775 DPE 90 DPPE H12A HAL2 0.090000 1.0080 0 10776 DPE 90 DPPE H12B HAL2 0.090000 1.0080 0 10777 DPE 90 DPPE C11 CTL2 -0.080000 12.0110 0 10778 DPE 90 DPPE H11A HAL2 0.090000 1.0080 0 10779 DPE 90 DPPE H11B HAL2 0.090000 1.0080 0 10780 DPE 90 DPPE P PL 1.500000 30.9740 0 10781 DPE 90 DPPE O13 O2L -0.780000 15.9994 0 10782 DPE 90 DPPE O14 O2L -0.780000 15.9994 0 10783 DPE 90 DPPE O11 OSL -0.570000 15.9994 0 10784 DPE 90 DPPE O12 OSL -0.570000 15.9994 0 10785 DPE 90 DPPE C1 CTL2 -0.080000 12.0110 0 10786 DPE 90 DPPE HA HAL2 0.090000 1.0080 0 10787 DPE 90 DPPE HB HAL2 0.090000 1.0080 0 10788 DPE 90 DPPE C2 CTL1 0.040000 12.0110 0 10789 DPE 90 DPPE HS HAL1 0.090000 1.0080 0 10790 DPE 90 DPPE O21 OSL -0.340000 15.9994 0 10791 DPE 90 DPPE C21 CL 0.630000 12.0110 0 10792 DPE 90 DPPE O22 OBL -0.520000 15.9994 0 10793 DPE 90 DPPE C22 CTL2 -0.080000 12.0110 0 10794 DPE 90 DPPE H2R HAL2 0.090000 1.0080 0 10795 DPE 90 DPPE H2S HAL2 0.090000 1.0080 0 10796 DPE 90 DPPE C3 CTL2 -0.050000 12.0110 0 10797 DPE 90 DPPE HX HAL2 0.090000 1.0080 0 10798 DPE 90 DPPE HY HAL2 0.090000 1.0080 0 10799 DPE 90 DPPE O31 OSL -0.340000 15.9994 0 10800 DPE 90 DPPE C31 CL 0.630000 12.0110 0 10801 DPE 90 DPPE O32 OBL -0.520000 15.9994 0 10802 DPE 90 DPPE C32 CTL2 -0.080000 12.0110 0 10803 DPE 90 DPPE H2X HAL2 0.090000 1.0080 0 10804 DPE 90 DPPE H2Y HAL2 0.090000 1.0080 0 10805 DPE 90 DPPE C23 CTL2 -0.180000 12.0110 0 10806 DPE 90 DPPE H3R HAL2 0.090000 1.0080 0 10807 DPE 90 DPPE H3S HAL2 0.090000 1.0080 0 10808 DPE 90 DPPE C24 CTL2 -0.180000 12.0110 0 10809 DPE 90 DPPE H4R HAL2 0.090000 1.0080 0 10810 DPE 90 DPPE H4S HAL2 0.090000 1.0080 0 10811 DPE 90 DPPE C25 CTL2 -0.180000 12.0110 0 10812 DPE 90 DPPE H5R HAL2 0.090000 1.0080 0 10813 DPE 90 DPPE H5S HAL2 0.090000 1.0080 0 10814 DPE 90 DPPE C26 CTL2 -0.180000 12.0110 0 10815 DPE 90 DPPE H6R HAL2 0.090000 1.0080 0 10816 DPE 90 DPPE H6S HAL2 0.090000 1.0080 0 10817 DPE 90 DPPE C27 CTL2 -0.180000 12.0110 0 10818 DPE 90 DPPE H7R HAL2 0.090000 1.0080 0 10819 DPE 90 DPPE H7S HAL2 0.090000 1.0080 0 10820 DPE 90 DPPE C28 CTL2 -0.180000 12.0110 0 10821 DPE 90 DPPE H8R HAL2 0.090000 1.0080 0 10822 DPE 90 DPPE H8S HAL2 0.090000 1.0080 0 10823 DPE 90 DPPE C29 CTL2 -0.180000 12.0110 0 10824 DPE 90 DPPE H9R HAL2 0.090000 1.0080 0 10825 DPE 90 DPPE H9S HAL2 0.090000 1.0080 0 10826 DPE 90 DPPE C210 CTL2 -0.180000 12.0110 0 10827 DPE 90 DPPE H10R HAL2 0.090000 1.0080 0 10828 DPE 90 DPPE H10S HAL2 0.090000 1.0080 0 10829 DPE 90 DPPE C211 CTL2 -0.180000 12.0110 0 10830 DPE 90 DPPE H11R HAL2 0.090000 1.0080 0 10831 DPE 90 DPPE H11S HAL2 0.090000 1.0080 0 10832 DPE 90 DPPE C212 CTL2 -0.180000 12.0110 0 10833 DPE 90 DPPE H12R HAL2 0.090000 1.0080 0 10834 DPE 90 DPPE H12S HAL2 0.090000 1.0080 0 10835 DPE 90 DPPE C213 CTL2 -0.180000 12.0110 0 10836 DPE 90 DPPE H13R HAL2 0.090000 1.0080 0 10837 DPE 90 DPPE H13S HAL2 0.090000 1.0080 0 10838 DPE 90 DPPE C214 CTL2 -0.180000 12.0110 0 10839 DPE 90 DPPE H14R HAL2 0.090000 1.0080 0 10840 DPE 90 DPPE H14S HAL2 0.090000 1.0080 0 10841 DPE 90 DPPE C215 CTL2 -0.180000 12.0110 0 10842 DPE 90 DPPE H15R HAL2 0.090000 1.0080 0 10843 DPE 90 DPPE H15S HAL2 0.090000 1.0080 0 10844 DPE 90 DPPE C216 CTL3 -0.270000 12.0110 0 10845 DPE 90 DPPE H16R HAL3 0.090000 1.0080 0 10846 DPE 90 DPPE H16S HAL3 0.090000 1.0080 0 10847 DPE 90 DPPE H16T HAL3 0.090000 1.0080 0 10848 DPE 90 DPPE C33 CTL2 -0.180000 12.0110 0 10849 DPE 90 DPPE H3X HAL2 0.090000 1.0080 0 10850 DPE 90 DPPE H3Y HAL2 0.090000 1.0080 0 10851 DPE 90 DPPE C34 CTL2 -0.180000 12.0110 0 10852 DPE 90 DPPE H4X HAL2 0.090000 1.0080 0 10853 DPE 90 DPPE H4Y HAL2 0.090000 1.0080 0 10854 DPE 90 DPPE C35 CTL2 -0.180000 12.0110 0 10855 DPE 90 DPPE H5X HAL2 0.090000 1.0080 0 10856 DPE 90 DPPE H5Y HAL2 0.090000 1.0080 0 10857 DPE 90 DPPE C36 CTL2 -0.180000 12.0110 0 10858 DPE 90 DPPE H6X HAL2 0.090000 1.0080 0 10859 DPE 90 DPPE H6Y HAL2 0.090000 1.0080 0 10860 DPE 90 DPPE C37 CTL2 -0.180000 12.0110 0 10861 DPE 90 DPPE H7X HAL2 0.090000 1.0080 0 10862 DPE 90 DPPE H7Y HAL2 0.090000 1.0080 0 10863 DPE 90 DPPE C38 CTL2 -0.180000 12.0110 0 10864 DPE 90 DPPE H8X HAL2 0.090000 1.0080 0 10865 DPE 90 DPPE H8Y HAL2 0.090000 1.0080 0 10866 DPE 90 DPPE C39 CTL2 -0.180000 12.0110 0 10867 DPE 90 DPPE H9X HAL2 0.090000 1.0080 0 10868 DPE 90 DPPE H9Y HAL2 0.090000 1.0080 0 10869 DPE 90 DPPE C310 CTL2 -0.180000 12.0110 0 10870 DPE 90 DPPE H10X HAL2 0.090000 1.0080 0 10871 DPE 90 DPPE H10Y HAL2 0.090000 1.0080 0 10872 DPE 90 DPPE C311 CTL2 -0.180000 12.0110 0 10873 DPE 90 DPPE H11X HAL2 0.090000 1.0080 0 10874 DPE 90 DPPE H11Y HAL2 0.090000 1.0080 0 10875 DPE 90 DPPE C312 CTL2 -0.180000 12.0110 0 10876 DPE 90 DPPE H12X HAL2 0.090000 1.0080 0 10877 DPE 90 DPPE H12Y HAL2 0.090000 1.0080 0 10878 DPE 90 DPPE C313 CTL2 -0.180000 12.0110 0 10879 DPE 90 DPPE H13X HAL2 0.090000 1.0080 0 10880 DPE 90 DPPE H13Y HAL2 0.090000 1.0080 0 10881 DPE 90 DPPE C314 CTL2 -0.180000 12.0110 0 10882 DPE 90 DPPE H14X HAL2 0.090000 1.0080 0 10883 DPE 90 DPPE H14Y HAL2 0.090000 1.0080 0 10884 DPE 90 DPPE C315 CTL2 -0.180000 12.0110 0 10885 DPE 90 DPPE H15X HAL2 0.090000 1.0080 0 10886 DPE 90 DPPE H15Y HAL2 0.090000 1.0080 0 10887 DPE 90 DPPE C316 CTL3 -0.270000 12.0110 0 10888 DPE 90 DPPE H16X HAL3 0.090000 1.0080 0 10889 DPE 90 DPPE H16Y HAL3 0.090000 1.0080 0 10890 DPE 90 DPPE H16Z HAL3 0.090000 1.0080 0 10891 DPE 91 DPPE N NH3L -0.300000 14.0070 0 10892 DPE 91 DPPE HN1 HCL 0.330000 1.0080 0 10893 DPE 91 DPPE HN2 HCL 0.330000 1.0080 0 10894 DPE 91 DPPE HN3 HCL 0.330000 1.0080 0 10895 DPE 91 DPPE C12 CTL2 0.130000 12.0110 0 10896 DPE 91 DPPE H12A HAL2 0.090000 1.0080 0 10897 DPE 91 DPPE H12B HAL2 0.090000 1.0080 0 10898 DPE 91 DPPE C11 CTL2 -0.080000 12.0110 0 10899 DPE 91 DPPE H11A HAL2 0.090000 1.0080 0 10900 DPE 91 DPPE H11B HAL2 0.090000 1.0080 0 10901 DPE 91 DPPE P PL 1.500000 30.9740 0 10902 DPE 91 DPPE O13 O2L -0.780000 15.9994 0 10903 DPE 91 DPPE O14 O2L -0.780000 15.9994 0 10904 DPE 91 DPPE O11 OSL -0.570000 15.9994 0 10905 DPE 91 DPPE O12 OSL -0.570000 15.9994 0 10906 DPE 91 DPPE C1 CTL2 -0.080000 12.0110 0 10907 DPE 91 DPPE HA HAL2 0.090000 1.0080 0 10908 DPE 91 DPPE HB HAL2 0.090000 1.0080 0 10909 DPE 91 DPPE C2 CTL1 0.040000 12.0110 0 10910 DPE 91 DPPE HS HAL1 0.090000 1.0080 0 10911 DPE 91 DPPE O21 OSL -0.340000 15.9994 0 10912 DPE 91 DPPE C21 CL 0.630000 12.0110 0 10913 DPE 91 DPPE O22 OBL -0.520000 15.9994 0 10914 DPE 91 DPPE C22 CTL2 -0.080000 12.0110 0 10915 DPE 91 DPPE H2R HAL2 0.090000 1.0080 0 10916 DPE 91 DPPE H2S HAL2 0.090000 1.0080 0 10917 DPE 91 DPPE C3 CTL2 -0.050000 12.0110 0 10918 DPE 91 DPPE HX HAL2 0.090000 1.0080 0 10919 DPE 91 DPPE HY HAL2 0.090000 1.0080 0 10920 DPE 91 DPPE O31 OSL -0.340000 15.9994 0 10921 DPE 91 DPPE C31 CL 0.630000 12.0110 0 10922 DPE 91 DPPE O32 OBL -0.520000 15.9994 0 10923 DPE 91 DPPE C32 CTL2 -0.080000 12.0110 0 10924 DPE 91 DPPE H2X HAL2 0.090000 1.0080 0 10925 DPE 91 DPPE H2Y HAL2 0.090000 1.0080 0 10926 DPE 91 DPPE C23 CTL2 -0.180000 12.0110 0 10927 DPE 91 DPPE H3R HAL2 0.090000 1.0080 0 10928 DPE 91 DPPE H3S HAL2 0.090000 1.0080 0 10929 DPE 91 DPPE C24 CTL2 -0.180000 12.0110 0 10930 DPE 91 DPPE H4R HAL2 0.090000 1.0080 0 10931 DPE 91 DPPE H4S HAL2 0.090000 1.0080 0 10932 DPE 91 DPPE C25 CTL2 -0.180000 12.0110 0 10933 DPE 91 DPPE H5R HAL2 0.090000 1.0080 0 10934 DPE 91 DPPE H5S HAL2 0.090000 1.0080 0 10935 DPE 91 DPPE C26 CTL2 -0.180000 12.0110 0 10936 DPE 91 DPPE H6R HAL2 0.090000 1.0080 0 10937 DPE 91 DPPE H6S HAL2 0.090000 1.0080 0 10938 DPE 91 DPPE C27 CTL2 -0.180000 12.0110 0 10939 DPE 91 DPPE H7R HAL2 0.090000 1.0080 0 10940 DPE 91 DPPE H7S HAL2 0.090000 1.0080 0 10941 DPE 91 DPPE C28 CTL2 -0.180000 12.0110 0 10942 DPE 91 DPPE H8R HAL2 0.090000 1.0080 0 10943 DPE 91 DPPE H8S HAL2 0.090000 1.0080 0 10944 DPE 91 DPPE C29 CTL2 -0.180000 12.0110 0 10945 DPE 91 DPPE H9R HAL2 0.090000 1.0080 0 10946 DPE 91 DPPE H9S HAL2 0.090000 1.0080 0 10947 DPE 91 DPPE C210 CTL2 -0.180000 12.0110 0 10948 DPE 91 DPPE H10R HAL2 0.090000 1.0080 0 10949 DPE 91 DPPE H10S HAL2 0.090000 1.0080 0 10950 DPE 91 DPPE C211 CTL2 -0.180000 12.0110 0 10951 DPE 91 DPPE H11R HAL2 0.090000 1.0080 0 10952 DPE 91 DPPE H11S HAL2 0.090000 1.0080 0 10953 DPE 91 DPPE C212 CTL2 -0.180000 12.0110 0 10954 DPE 91 DPPE H12R HAL2 0.090000 1.0080 0 10955 DPE 91 DPPE H12S HAL2 0.090000 1.0080 0 10956 DPE 91 DPPE C213 CTL2 -0.180000 12.0110 0 10957 DPE 91 DPPE H13R HAL2 0.090000 1.0080 0 10958 DPE 91 DPPE H13S HAL2 0.090000 1.0080 0 10959 DPE 91 DPPE C214 CTL2 -0.180000 12.0110 0 10960 DPE 91 DPPE H14R HAL2 0.090000 1.0080 0 10961 DPE 91 DPPE H14S HAL2 0.090000 1.0080 0 10962 DPE 91 DPPE C215 CTL2 -0.180000 12.0110 0 10963 DPE 91 DPPE H15R HAL2 0.090000 1.0080 0 10964 DPE 91 DPPE H15S HAL2 0.090000 1.0080 0 10965 DPE 91 DPPE C216 CTL3 -0.270000 12.0110 0 10966 DPE 91 DPPE H16R HAL3 0.090000 1.0080 0 10967 DPE 91 DPPE H16S HAL3 0.090000 1.0080 0 10968 DPE 91 DPPE H16T HAL3 0.090000 1.0080 0 10969 DPE 91 DPPE C33 CTL2 -0.180000 12.0110 0 10970 DPE 91 DPPE H3X HAL2 0.090000 1.0080 0 10971 DPE 91 DPPE H3Y HAL2 0.090000 1.0080 0 10972 DPE 91 DPPE C34 CTL2 -0.180000 12.0110 0 10973 DPE 91 DPPE H4X HAL2 0.090000 1.0080 0 10974 DPE 91 DPPE H4Y HAL2 0.090000 1.0080 0 10975 DPE 91 DPPE C35 CTL2 -0.180000 12.0110 0 10976 DPE 91 DPPE H5X HAL2 0.090000 1.0080 0 10977 DPE 91 DPPE H5Y HAL2 0.090000 1.0080 0 10978 DPE 91 DPPE C36 CTL2 -0.180000 12.0110 0 10979 DPE 91 DPPE H6X HAL2 0.090000 1.0080 0 10980 DPE 91 DPPE H6Y HAL2 0.090000 1.0080 0 10981 DPE 91 DPPE C37 CTL2 -0.180000 12.0110 0 10982 DPE 91 DPPE H7X HAL2 0.090000 1.0080 0 10983 DPE 91 DPPE H7Y HAL2 0.090000 1.0080 0 10984 DPE 91 DPPE C38 CTL2 -0.180000 12.0110 0 10985 DPE 91 DPPE H8X HAL2 0.090000 1.0080 0 10986 DPE 91 DPPE H8Y HAL2 0.090000 1.0080 0 10987 DPE 91 DPPE C39 CTL2 -0.180000 12.0110 0 10988 DPE 91 DPPE H9X HAL2 0.090000 1.0080 0 10989 DPE 91 DPPE H9Y HAL2 0.090000 1.0080 0 10990 DPE 91 DPPE C310 CTL2 -0.180000 12.0110 0 10991 DPE 91 DPPE H10X HAL2 0.090000 1.0080 0 10992 DPE 91 DPPE H10Y HAL2 0.090000 1.0080 0 10993 DPE 91 DPPE C311 CTL2 -0.180000 12.0110 0 10994 DPE 91 DPPE H11X HAL2 0.090000 1.0080 0 10995 DPE 91 DPPE H11Y HAL2 0.090000 1.0080 0 10996 DPE 91 DPPE C312 CTL2 -0.180000 12.0110 0 10997 DPE 91 DPPE H12X HAL2 0.090000 1.0080 0 10998 DPE 91 DPPE H12Y HAL2 0.090000 1.0080 0 10999 DPE 91 DPPE C313 CTL2 -0.180000 12.0110 0 11000 DPE 91 DPPE H13X HAL2 0.090000 1.0080 0 11001 DPE 91 DPPE H13Y HAL2 0.090000 1.0080 0 11002 DPE 91 DPPE C314 CTL2 -0.180000 12.0110 0 11003 DPE 91 DPPE H14X HAL2 0.090000 1.0080 0 11004 DPE 91 DPPE H14Y HAL2 0.090000 1.0080 0 11005 DPE 91 DPPE C315 CTL2 -0.180000 12.0110 0 11006 DPE 91 DPPE H15X HAL2 0.090000 1.0080 0 11007 DPE 91 DPPE H15Y HAL2 0.090000 1.0080 0 11008 DPE 91 DPPE C316 CTL3 -0.270000 12.0110 0 11009 DPE 91 DPPE H16X HAL3 0.090000 1.0080 0 11010 DPE 91 DPPE H16Y HAL3 0.090000 1.0080 0 11011 DPE 91 DPPE H16Z HAL3 0.090000 1.0080 0 11012 DPE 92 DPPE N NH3L -0.300000 14.0070 0 11013 DPE 92 DPPE HN1 HCL 0.330000 1.0080 0 11014 DPE 92 DPPE HN2 HCL 0.330000 1.0080 0 11015 DPE 92 DPPE HN3 HCL 0.330000 1.0080 0 11016 DPE 92 DPPE C12 CTL2 0.130000 12.0110 0 11017 DPE 92 DPPE H12A HAL2 0.090000 1.0080 0 11018 DPE 92 DPPE H12B HAL2 0.090000 1.0080 0 11019 DPE 92 DPPE C11 CTL2 -0.080000 12.0110 0 11020 DPE 92 DPPE H11A HAL2 0.090000 1.0080 0 11021 DPE 92 DPPE H11B HAL2 0.090000 1.0080 0 11022 DPE 92 DPPE P PL 1.500000 30.9740 0 11023 DPE 92 DPPE O13 O2L -0.780000 15.9994 0 11024 DPE 92 DPPE O14 O2L -0.780000 15.9994 0 11025 DPE 92 DPPE O11 OSL -0.570000 15.9994 0 11026 DPE 92 DPPE O12 OSL -0.570000 15.9994 0 11027 DPE 92 DPPE C1 CTL2 -0.080000 12.0110 0 11028 DPE 92 DPPE HA HAL2 0.090000 1.0080 0 11029 DPE 92 DPPE HB HAL2 0.090000 1.0080 0 11030 DPE 92 DPPE C2 CTL1 0.040000 12.0110 0 11031 DPE 92 DPPE HS HAL1 0.090000 1.0080 0 11032 DPE 92 DPPE O21 OSL -0.340000 15.9994 0 11033 DPE 92 DPPE C21 CL 0.630000 12.0110 0 11034 DPE 92 DPPE O22 OBL -0.520000 15.9994 0 11035 DPE 92 DPPE C22 CTL2 -0.080000 12.0110 0 11036 DPE 92 DPPE H2R HAL2 0.090000 1.0080 0 11037 DPE 92 DPPE H2S HAL2 0.090000 1.0080 0 11038 DPE 92 DPPE C3 CTL2 -0.050000 12.0110 0 11039 DPE 92 DPPE HX HAL2 0.090000 1.0080 0 11040 DPE 92 DPPE HY HAL2 0.090000 1.0080 0 11041 DPE 92 DPPE O31 OSL -0.340000 15.9994 0 11042 DPE 92 DPPE C31 CL 0.630000 12.0110 0 11043 DPE 92 DPPE O32 OBL -0.520000 15.9994 0 11044 DPE 92 DPPE C32 CTL2 -0.080000 12.0110 0 11045 DPE 92 DPPE H2X HAL2 0.090000 1.0080 0 11046 DPE 92 DPPE H2Y HAL2 0.090000 1.0080 0 11047 DPE 92 DPPE C23 CTL2 -0.180000 12.0110 0 11048 DPE 92 DPPE H3R HAL2 0.090000 1.0080 0 11049 DPE 92 DPPE H3S HAL2 0.090000 1.0080 0 11050 DPE 92 DPPE C24 CTL2 -0.180000 12.0110 0 11051 DPE 92 DPPE H4R HAL2 0.090000 1.0080 0 11052 DPE 92 DPPE H4S HAL2 0.090000 1.0080 0 11053 DPE 92 DPPE C25 CTL2 -0.180000 12.0110 0 11054 DPE 92 DPPE H5R HAL2 0.090000 1.0080 0 11055 DPE 92 DPPE H5S HAL2 0.090000 1.0080 0 11056 DPE 92 DPPE C26 CTL2 -0.180000 12.0110 0 11057 DPE 92 DPPE H6R HAL2 0.090000 1.0080 0 11058 DPE 92 DPPE H6S HAL2 0.090000 1.0080 0 11059 DPE 92 DPPE C27 CTL2 -0.180000 12.0110 0 11060 DPE 92 DPPE H7R HAL2 0.090000 1.0080 0 11061 DPE 92 DPPE H7S HAL2 0.090000 1.0080 0 11062 DPE 92 DPPE C28 CTL2 -0.180000 12.0110 0 11063 DPE 92 DPPE H8R HAL2 0.090000 1.0080 0 11064 DPE 92 DPPE H8S HAL2 0.090000 1.0080 0 11065 DPE 92 DPPE C29 CTL2 -0.180000 12.0110 0 11066 DPE 92 DPPE H9R HAL2 0.090000 1.0080 0 11067 DPE 92 DPPE H9S HAL2 0.090000 1.0080 0 11068 DPE 92 DPPE C210 CTL2 -0.180000 12.0110 0 11069 DPE 92 DPPE H10R HAL2 0.090000 1.0080 0 11070 DPE 92 DPPE H10S HAL2 0.090000 1.0080 0 11071 DPE 92 DPPE C211 CTL2 -0.180000 12.0110 0 11072 DPE 92 DPPE H11R HAL2 0.090000 1.0080 0 11073 DPE 92 DPPE H11S HAL2 0.090000 1.0080 0 11074 DPE 92 DPPE C212 CTL2 -0.180000 12.0110 0 11075 DPE 92 DPPE H12R HAL2 0.090000 1.0080 0 11076 DPE 92 DPPE H12S HAL2 0.090000 1.0080 0 11077 DPE 92 DPPE C213 CTL2 -0.180000 12.0110 0 11078 DPE 92 DPPE H13R HAL2 0.090000 1.0080 0 11079 DPE 92 DPPE H13S HAL2 0.090000 1.0080 0 11080 DPE 92 DPPE C214 CTL2 -0.180000 12.0110 0 11081 DPE 92 DPPE H14R HAL2 0.090000 1.0080 0 11082 DPE 92 DPPE H14S HAL2 0.090000 1.0080 0 11083 DPE 92 DPPE C215 CTL2 -0.180000 12.0110 0 11084 DPE 92 DPPE H15R HAL2 0.090000 1.0080 0 11085 DPE 92 DPPE H15S HAL2 0.090000 1.0080 0 11086 DPE 92 DPPE C216 CTL3 -0.270000 12.0110 0 11087 DPE 92 DPPE H16R HAL3 0.090000 1.0080 0 11088 DPE 92 DPPE H16S HAL3 0.090000 1.0080 0 11089 DPE 92 DPPE H16T HAL3 0.090000 1.0080 0 11090 DPE 92 DPPE C33 CTL2 -0.180000 12.0110 0 11091 DPE 92 DPPE H3X HAL2 0.090000 1.0080 0 11092 DPE 92 DPPE H3Y HAL2 0.090000 1.0080 0 11093 DPE 92 DPPE C34 CTL2 -0.180000 12.0110 0 11094 DPE 92 DPPE H4X HAL2 0.090000 1.0080 0 11095 DPE 92 DPPE H4Y HAL2 0.090000 1.0080 0 11096 DPE 92 DPPE C35 CTL2 -0.180000 12.0110 0 11097 DPE 92 DPPE H5X HAL2 0.090000 1.0080 0 11098 DPE 92 DPPE H5Y HAL2 0.090000 1.0080 0 11099 DPE 92 DPPE C36 CTL2 -0.180000 12.0110 0 11100 DPE 92 DPPE H6X HAL2 0.090000 1.0080 0 11101 DPE 92 DPPE H6Y HAL2 0.090000 1.0080 0 11102 DPE 92 DPPE C37 CTL2 -0.180000 12.0110 0 11103 DPE 92 DPPE H7X HAL2 0.090000 1.0080 0 11104 DPE 92 DPPE H7Y HAL2 0.090000 1.0080 0 11105 DPE 92 DPPE C38 CTL2 -0.180000 12.0110 0 11106 DPE 92 DPPE H8X HAL2 0.090000 1.0080 0 11107 DPE 92 DPPE H8Y HAL2 0.090000 1.0080 0 11108 DPE 92 DPPE C39 CTL2 -0.180000 12.0110 0 11109 DPE 92 DPPE H9X HAL2 0.090000 1.0080 0 11110 DPE 92 DPPE H9Y HAL2 0.090000 1.0080 0 11111 DPE 92 DPPE C310 CTL2 -0.180000 12.0110 0 11112 DPE 92 DPPE H10X HAL2 0.090000 1.0080 0 11113 DPE 92 DPPE H10Y HAL2 0.090000 1.0080 0 11114 DPE 92 DPPE C311 CTL2 -0.180000 12.0110 0 11115 DPE 92 DPPE H11X HAL2 0.090000 1.0080 0 11116 DPE 92 DPPE H11Y HAL2 0.090000 1.0080 0 11117 DPE 92 DPPE C312 CTL2 -0.180000 12.0110 0 11118 DPE 92 DPPE H12X HAL2 0.090000 1.0080 0 11119 DPE 92 DPPE H12Y HAL2 0.090000 1.0080 0 11120 DPE 92 DPPE C313 CTL2 -0.180000 12.0110 0 11121 DPE 92 DPPE H13X HAL2 0.090000 1.0080 0 11122 DPE 92 DPPE H13Y HAL2 0.090000 1.0080 0 11123 DPE 92 DPPE C314 CTL2 -0.180000 12.0110 0 11124 DPE 92 DPPE H14X HAL2 0.090000 1.0080 0 11125 DPE 92 DPPE H14Y HAL2 0.090000 1.0080 0 11126 DPE 92 DPPE C315 CTL2 -0.180000 12.0110 0 11127 DPE 92 DPPE H15X HAL2 0.090000 1.0080 0 11128 DPE 92 DPPE H15Y HAL2 0.090000 1.0080 0 11129 DPE 92 DPPE C316 CTL3 -0.270000 12.0110 0 11130 DPE 92 DPPE H16X HAL3 0.090000 1.0080 0 11131 DPE 92 DPPE H16Y HAL3 0.090000 1.0080 0 11132 DPE 92 DPPE H16Z HAL3 0.090000 1.0080 0 11133 DPE 93 DPPE N NH3L -0.300000 14.0070 0 11134 DPE 93 DPPE HN1 HCL 0.330000 1.0080 0 11135 DPE 93 DPPE HN2 HCL 0.330000 1.0080 0 11136 DPE 93 DPPE HN3 HCL 0.330000 1.0080 0 11137 DPE 93 DPPE C12 CTL2 0.130000 12.0110 0 11138 DPE 93 DPPE H12A HAL2 0.090000 1.0080 0 11139 DPE 93 DPPE H12B HAL2 0.090000 1.0080 0 11140 DPE 93 DPPE C11 CTL2 -0.080000 12.0110 0 11141 DPE 93 DPPE H11A HAL2 0.090000 1.0080 0 11142 DPE 93 DPPE H11B HAL2 0.090000 1.0080 0 11143 DPE 93 DPPE P PL 1.500000 30.9740 0 11144 DPE 93 DPPE O13 O2L -0.780000 15.9994 0 11145 DPE 93 DPPE O14 O2L -0.780000 15.9994 0 11146 DPE 93 DPPE O11 OSL -0.570000 15.9994 0 11147 DPE 93 DPPE O12 OSL -0.570000 15.9994 0 11148 DPE 93 DPPE C1 CTL2 -0.080000 12.0110 0 11149 DPE 93 DPPE HA HAL2 0.090000 1.0080 0 11150 DPE 93 DPPE HB HAL2 0.090000 1.0080 0 11151 DPE 93 DPPE C2 CTL1 0.040000 12.0110 0 11152 DPE 93 DPPE HS HAL1 0.090000 1.0080 0 11153 DPE 93 DPPE O21 OSL -0.340000 15.9994 0 11154 DPE 93 DPPE C21 CL 0.630000 12.0110 0 11155 DPE 93 DPPE O22 OBL -0.520000 15.9994 0 11156 DPE 93 DPPE C22 CTL2 -0.080000 12.0110 0 11157 DPE 93 DPPE H2R HAL2 0.090000 1.0080 0 11158 DPE 93 DPPE H2S HAL2 0.090000 1.0080 0 11159 DPE 93 DPPE C3 CTL2 -0.050000 12.0110 0 11160 DPE 93 DPPE HX HAL2 0.090000 1.0080 0 11161 DPE 93 DPPE HY HAL2 0.090000 1.0080 0 11162 DPE 93 DPPE O31 OSL -0.340000 15.9994 0 11163 DPE 93 DPPE C31 CL 0.630000 12.0110 0 11164 DPE 93 DPPE O32 OBL -0.520000 15.9994 0 11165 DPE 93 DPPE C32 CTL2 -0.080000 12.0110 0 11166 DPE 93 DPPE H2X HAL2 0.090000 1.0080 0 11167 DPE 93 DPPE H2Y HAL2 0.090000 1.0080 0 11168 DPE 93 DPPE C23 CTL2 -0.180000 12.0110 0 11169 DPE 93 DPPE H3R HAL2 0.090000 1.0080 0 11170 DPE 93 DPPE H3S HAL2 0.090000 1.0080 0 11171 DPE 93 DPPE C24 CTL2 -0.180000 12.0110 0 11172 DPE 93 DPPE H4R HAL2 0.090000 1.0080 0 11173 DPE 93 DPPE H4S HAL2 0.090000 1.0080 0 11174 DPE 93 DPPE C25 CTL2 -0.180000 12.0110 0 11175 DPE 93 DPPE H5R HAL2 0.090000 1.0080 0 11176 DPE 93 DPPE H5S HAL2 0.090000 1.0080 0 11177 DPE 93 DPPE C26 CTL2 -0.180000 12.0110 0 11178 DPE 93 DPPE H6R HAL2 0.090000 1.0080 0 11179 DPE 93 DPPE H6S HAL2 0.090000 1.0080 0 11180 DPE 93 DPPE C27 CTL2 -0.180000 12.0110 0 11181 DPE 93 DPPE H7R HAL2 0.090000 1.0080 0 11182 DPE 93 DPPE H7S HAL2 0.090000 1.0080 0 11183 DPE 93 DPPE C28 CTL2 -0.180000 12.0110 0 11184 DPE 93 DPPE H8R HAL2 0.090000 1.0080 0 11185 DPE 93 DPPE H8S HAL2 0.090000 1.0080 0 11186 DPE 93 DPPE C29 CTL2 -0.180000 12.0110 0 11187 DPE 93 DPPE H9R HAL2 0.090000 1.0080 0 11188 DPE 93 DPPE H9S HAL2 0.090000 1.0080 0 11189 DPE 93 DPPE C210 CTL2 -0.180000 12.0110 0 11190 DPE 93 DPPE H10R HAL2 0.090000 1.0080 0 11191 DPE 93 DPPE H10S HAL2 0.090000 1.0080 0 11192 DPE 93 DPPE C211 CTL2 -0.180000 12.0110 0 11193 DPE 93 DPPE H11R HAL2 0.090000 1.0080 0 11194 DPE 93 DPPE H11S HAL2 0.090000 1.0080 0 11195 DPE 93 DPPE C212 CTL2 -0.180000 12.0110 0 11196 DPE 93 DPPE H12R HAL2 0.090000 1.0080 0 11197 DPE 93 DPPE H12S HAL2 0.090000 1.0080 0 11198 DPE 93 DPPE C213 CTL2 -0.180000 12.0110 0 11199 DPE 93 DPPE H13R HAL2 0.090000 1.0080 0 11200 DPE 93 DPPE H13S HAL2 0.090000 1.0080 0 11201 DPE 93 DPPE C214 CTL2 -0.180000 12.0110 0 11202 DPE 93 DPPE H14R HAL2 0.090000 1.0080 0 11203 DPE 93 DPPE H14S HAL2 0.090000 1.0080 0 11204 DPE 93 DPPE C215 CTL2 -0.180000 12.0110 0 11205 DPE 93 DPPE H15R HAL2 0.090000 1.0080 0 11206 DPE 93 DPPE H15S HAL2 0.090000 1.0080 0 11207 DPE 93 DPPE C216 CTL3 -0.270000 12.0110 0 11208 DPE 93 DPPE H16R HAL3 0.090000 1.0080 0 11209 DPE 93 DPPE H16S HAL3 0.090000 1.0080 0 11210 DPE 93 DPPE H16T HAL3 0.090000 1.0080 0 11211 DPE 93 DPPE C33 CTL2 -0.180000 12.0110 0 11212 DPE 93 DPPE H3X HAL2 0.090000 1.0080 0 11213 DPE 93 DPPE H3Y HAL2 0.090000 1.0080 0 11214 DPE 93 DPPE C34 CTL2 -0.180000 12.0110 0 11215 DPE 93 DPPE H4X HAL2 0.090000 1.0080 0 11216 DPE 93 DPPE H4Y HAL2 0.090000 1.0080 0 11217 DPE 93 DPPE C35 CTL2 -0.180000 12.0110 0 11218 DPE 93 DPPE H5X HAL2 0.090000 1.0080 0 11219 DPE 93 DPPE H5Y HAL2 0.090000 1.0080 0 11220 DPE 93 DPPE C36 CTL2 -0.180000 12.0110 0 11221 DPE 93 DPPE H6X HAL2 0.090000 1.0080 0 11222 DPE 93 DPPE H6Y HAL2 0.090000 1.0080 0 11223 DPE 93 DPPE C37 CTL2 -0.180000 12.0110 0 11224 DPE 93 DPPE H7X HAL2 0.090000 1.0080 0 11225 DPE 93 DPPE H7Y HAL2 0.090000 1.0080 0 11226 DPE 93 DPPE C38 CTL2 -0.180000 12.0110 0 11227 DPE 93 DPPE H8X HAL2 0.090000 1.0080 0 11228 DPE 93 DPPE H8Y HAL2 0.090000 1.0080 0 11229 DPE 93 DPPE C39 CTL2 -0.180000 12.0110 0 11230 DPE 93 DPPE H9X HAL2 0.090000 1.0080 0 11231 DPE 93 DPPE H9Y HAL2 0.090000 1.0080 0 11232 DPE 93 DPPE C310 CTL2 -0.180000 12.0110 0 11233 DPE 93 DPPE H10X HAL2 0.090000 1.0080 0 11234 DPE 93 DPPE H10Y HAL2 0.090000 1.0080 0 11235 DPE 93 DPPE C311 CTL2 -0.180000 12.0110 0 11236 DPE 93 DPPE H11X HAL2 0.090000 1.0080 0 11237 DPE 93 DPPE H11Y HAL2 0.090000 1.0080 0 11238 DPE 93 DPPE C312 CTL2 -0.180000 12.0110 0 11239 DPE 93 DPPE H12X HAL2 0.090000 1.0080 0 11240 DPE 93 DPPE H12Y HAL2 0.090000 1.0080 0 11241 DPE 93 DPPE C313 CTL2 -0.180000 12.0110 0 11242 DPE 93 DPPE H13X HAL2 0.090000 1.0080 0 11243 DPE 93 DPPE H13Y HAL2 0.090000 1.0080 0 11244 DPE 93 DPPE C314 CTL2 -0.180000 12.0110 0 11245 DPE 93 DPPE H14X HAL2 0.090000 1.0080 0 11246 DPE 93 DPPE H14Y HAL2 0.090000 1.0080 0 11247 DPE 93 DPPE C315 CTL2 -0.180000 12.0110 0 11248 DPE 93 DPPE H15X HAL2 0.090000 1.0080 0 11249 DPE 93 DPPE H15Y HAL2 0.090000 1.0080 0 11250 DPE 93 DPPE C316 CTL3 -0.270000 12.0110 0 11251 DPE 93 DPPE H16X HAL3 0.090000 1.0080 0 11252 DPE 93 DPPE H16Y HAL3 0.090000 1.0080 0 11253 DPE 93 DPPE H16Z HAL3 0.090000 1.0080 0 11254 DPE 94 DPPE N NH3L -0.300000 14.0070 0 11255 DPE 94 DPPE HN1 HCL 0.330000 1.0080 0 11256 DPE 94 DPPE HN2 HCL 0.330000 1.0080 0 11257 DPE 94 DPPE HN3 HCL 0.330000 1.0080 0 11258 DPE 94 DPPE C12 CTL2 0.130000 12.0110 0 11259 DPE 94 DPPE H12A HAL2 0.090000 1.0080 0 11260 DPE 94 DPPE H12B HAL2 0.090000 1.0080 0 11261 DPE 94 DPPE C11 CTL2 -0.080000 12.0110 0 11262 DPE 94 DPPE H11A HAL2 0.090000 1.0080 0 11263 DPE 94 DPPE H11B HAL2 0.090000 1.0080 0 11264 DPE 94 DPPE P PL 1.500000 30.9740 0 11265 DPE 94 DPPE O13 O2L -0.780000 15.9994 0 11266 DPE 94 DPPE O14 O2L -0.780000 15.9994 0 11267 DPE 94 DPPE O11 OSL -0.570000 15.9994 0 11268 DPE 94 DPPE O12 OSL -0.570000 15.9994 0 11269 DPE 94 DPPE C1 CTL2 -0.080000 12.0110 0 11270 DPE 94 DPPE HA HAL2 0.090000 1.0080 0 11271 DPE 94 DPPE HB HAL2 0.090000 1.0080 0 11272 DPE 94 DPPE C2 CTL1 0.040000 12.0110 0 11273 DPE 94 DPPE HS HAL1 0.090000 1.0080 0 11274 DPE 94 DPPE O21 OSL -0.340000 15.9994 0 11275 DPE 94 DPPE C21 CL 0.630000 12.0110 0 11276 DPE 94 DPPE O22 OBL -0.520000 15.9994 0 11277 DPE 94 DPPE C22 CTL2 -0.080000 12.0110 0 11278 DPE 94 DPPE H2R HAL2 0.090000 1.0080 0 11279 DPE 94 DPPE H2S HAL2 0.090000 1.0080 0 11280 DPE 94 DPPE C3 CTL2 -0.050000 12.0110 0 11281 DPE 94 DPPE HX HAL2 0.090000 1.0080 0 11282 DPE 94 DPPE HY HAL2 0.090000 1.0080 0 11283 DPE 94 DPPE O31 OSL -0.340000 15.9994 0 11284 DPE 94 DPPE C31 CL 0.630000 12.0110 0 11285 DPE 94 DPPE O32 OBL -0.520000 15.9994 0 11286 DPE 94 DPPE C32 CTL2 -0.080000 12.0110 0 11287 DPE 94 DPPE H2X HAL2 0.090000 1.0080 0 11288 DPE 94 DPPE H2Y HAL2 0.090000 1.0080 0 11289 DPE 94 DPPE C23 CTL2 -0.180000 12.0110 0 11290 DPE 94 DPPE H3R HAL2 0.090000 1.0080 0 11291 DPE 94 DPPE H3S HAL2 0.090000 1.0080 0 11292 DPE 94 DPPE C24 CTL2 -0.180000 12.0110 0 11293 DPE 94 DPPE H4R HAL2 0.090000 1.0080 0 11294 DPE 94 DPPE H4S HAL2 0.090000 1.0080 0 11295 DPE 94 DPPE C25 CTL2 -0.180000 12.0110 0 11296 DPE 94 DPPE H5R HAL2 0.090000 1.0080 0 11297 DPE 94 DPPE H5S HAL2 0.090000 1.0080 0 11298 DPE 94 DPPE C26 CTL2 -0.180000 12.0110 0 11299 DPE 94 DPPE H6R HAL2 0.090000 1.0080 0 11300 DPE 94 DPPE H6S HAL2 0.090000 1.0080 0 11301 DPE 94 DPPE C27 CTL2 -0.180000 12.0110 0 11302 DPE 94 DPPE H7R HAL2 0.090000 1.0080 0 11303 DPE 94 DPPE H7S HAL2 0.090000 1.0080 0 11304 DPE 94 DPPE C28 CTL2 -0.180000 12.0110 0 11305 DPE 94 DPPE H8R HAL2 0.090000 1.0080 0 11306 DPE 94 DPPE H8S HAL2 0.090000 1.0080 0 11307 DPE 94 DPPE C29 CTL2 -0.180000 12.0110 0 11308 DPE 94 DPPE H9R HAL2 0.090000 1.0080 0 11309 DPE 94 DPPE H9S HAL2 0.090000 1.0080 0 11310 DPE 94 DPPE C210 CTL2 -0.180000 12.0110 0 11311 DPE 94 DPPE H10R HAL2 0.090000 1.0080 0 11312 DPE 94 DPPE H10S HAL2 0.090000 1.0080 0 11313 DPE 94 DPPE C211 CTL2 -0.180000 12.0110 0 11314 DPE 94 DPPE H11R HAL2 0.090000 1.0080 0 11315 DPE 94 DPPE H11S HAL2 0.090000 1.0080 0 11316 DPE 94 DPPE C212 CTL2 -0.180000 12.0110 0 11317 DPE 94 DPPE H12R HAL2 0.090000 1.0080 0 11318 DPE 94 DPPE H12S HAL2 0.090000 1.0080 0 11319 DPE 94 DPPE C213 CTL2 -0.180000 12.0110 0 11320 DPE 94 DPPE H13R HAL2 0.090000 1.0080 0 11321 DPE 94 DPPE H13S HAL2 0.090000 1.0080 0 11322 DPE 94 DPPE C214 CTL2 -0.180000 12.0110 0 11323 DPE 94 DPPE H14R HAL2 0.090000 1.0080 0 11324 DPE 94 DPPE H14S HAL2 0.090000 1.0080 0 11325 DPE 94 DPPE C215 CTL2 -0.180000 12.0110 0 11326 DPE 94 DPPE H15R HAL2 0.090000 1.0080 0 11327 DPE 94 DPPE H15S HAL2 0.090000 1.0080 0 11328 DPE 94 DPPE C216 CTL3 -0.270000 12.0110 0 11329 DPE 94 DPPE H16R HAL3 0.090000 1.0080 0 11330 DPE 94 DPPE H16S HAL3 0.090000 1.0080 0 11331 DPE 94 DPPE H16T HAL3 0.090000 1.0080 0 11332 DPE 94 DPPE C33 CTL2 -0.180000 12.0110 0 11333 DPE 94 DPPE H3X HAL2 0.090000 1.0080 0 11334 DPE 94 DPPE H3Y HAL2 0.090000 1.0080 0 11335 DPE 94 DPPE C34 CTL2 -0.180000 12.0110 0 11336 DPE 94 DPPE H4X HAL2 0.090000 1.0080 0 11337 DPE 94 DPPE H4Y HAL2 0.090000 1.0080 0 11338 DPE 94 DPPE C35 CTL2 -0.180000 12.0110 0 11339 DPE 94 DPPE H5X HAL2 0.090000 1.0080 0 11340 DPE 94 DPPE H5Y HAL2 0.090000 1.0080 0 11341 DPE 94 DPPE C36 CTL2 -0.180000 12.0110 0 11342 DPE 94 DPPE H6X HAL2 0.090000 1.0080 0 11343 DPE 94 DPPE H6Y HAL2 0.090000 1.0080 0 11344 DPE 94 DPPE C37 CTL2 -0.180000 12.0110 0 11345 DPE 94 DPPE H7X HAL2 0.090000 1.0080 0 11346 DPE 94 DPPE H7Y HAL2 0.090000 1.0080 0 11347 DPE 94 DPPE C38 CTL2 -0.180000 12.0110 0 11348 DPE 94 DPPE H8X HAL2 0.090000 1.0080 0 11349 DPE 94 DPPE H8Y HAL2 0.090000 1.0080 0 11350 DPE 94 DPPE C39 CTL2 -0.180000 12.0110 0 11351 DPE 94 DPPE H9X HAL2 0.090000 1.0080 0 11352 DPE 94 DPPE H9Y HAL2 0.090000 1.0080 0 11353 DPE 94 DPPE C310 CTL2 -0.180000 12.0110 0 11354 DPE 94 DPPE H10X HAL2 0.090000 1.0080 0 11355 DPE 94 DPPE H10Y HAL2 0.090000 1.0080 0 11356 DPE 94 DPPE C311 CTL2 -0.180000 12.0110 0 11357 DPE 94 DPPE H11X HAL2 0.090000 1.0080 0 11358 DPE 94 DPPE H11Y HAL2 0.090000 1.0080 0 11359 DPE 94 DPPE C312 CTL2 -0.180000 12.0110 0 11360 DPE 94 DPPE H12X HAL2 0.090000 1.0080 0 11361 DPE 94 DPPE H12Y HAL2 0.090000 1.0080 0 11362 DPE 94 DPPE C313 CTL2 -0.180000 12.0110 0 11363 DPE 94 DPPE H13X HAL2 0.090000 1.0080 0 11364 DPE 94 DPPE H13Y HAL2 0.090000 1.0080 0 11365 DPE 94 DPPE C314 CTL2 -0.180000 12.0110 0 11366 DPE 94 DPPE H14X HAL2 0.090000 1.0080 0 11367 DPE 94 DPPE H14Y HAL2 0.090000 1.0080 0 11368 DPE 94 DPPE C315 CTL2 -0.180000 12.0110 0 11369 DPE 94 DPPE H15X HAL2 0.090000 1.0080 0 11370 DPE 94 DPPE H15Y HAL2 0.090000 1.0080 0 11371 DPE 94 DPPE C316 CTL3 -0.270000 12.0110 0 11372 DPE 94 DPPE H16X HAL3 0.090000 1.0080 0 11373 DPE 94 DPPE H16Y HAL3 0.090000 1.0080 0 11374 DPE 94 DPPE H16Z HAL3 0.090000 1.0080 0 11375 DPE 95 DPPE N NH3L -0.300000 14.0070 0 11376 DPE 95 DPPE HN1 HCL 0.330000 1.0080 0 11377 DPE 95 DPPE HN2 HCL 0.330000 1.0080 0 11378 DPE 95 DPPE HN3 HCL 0.330000 1.0080 0 11379 DPE 95 DPPE C12 CTL2 0.130000 12.0110 0 11380 DPE 95 DPPE H12A HAL2 0.090000 1.0080 0 11381 DPE 95 DPPE H12B HAL2 0.090000 1.0080 0 11382 DPE 95 DPPE C11 CTL2 -0.080000 12.0110 0 11383 DPE 95 DPPE H11A HAL2 0.090000 1.0080 0 11384 DPE 95 DPPE H11B HAL2 0.090000 1.0080 0 11385 DPE 95 DPPE P PL 1.500000 30.9740 0 11386 DPE 95 DPPE O13 O2L -0.780000 15.9994 0 11387 DPE 95 DPPE O14 O2L -0.780000 15.9994 0 11388 DPE 95 DPPE O11 OSL -0.570000 15.9994 0 11389 DPE 95 DPPE O12 OSL -0.570000 15.9994 0 11390 DPE 95 DPPE C1 CTL2 -0.080000 12.0110 0 11391 DPE 95 DPPE HA HAL2 0.090000 1.0080 0 11392 DPE 95 DPPE HB HAL2 0.090000 1.0080 0 11393 DPE 95 DPPE C2 CTL1 0.040000 12.0110 0 11394 DPE 95 DPPE HS HAL1 0.090000 1.0080 0 11395 DPE 95 DPPE O21 OSL -0.340000 15.9994 0 11396 DPE 95 DPPE C21 CL 0.630000 12.0110 0 11397 DPE 95 DPPE O22 OBL -0.520000 15.9994 0 11398 DPE 95 DPPE C22 CTL2 -0.080000 12.0110 0 11399 DPE 95 DPPE H2R HAL2 0.090000 1.0080 0 11400 DPE 95 DPPE H2S HAL2 0.090000 1.0080 0 11401 DPE 95 DPPE C3 CTL2 -0.050000 12.0110 0 11402 DPE 95 DPPE HX HAL2 0.090000 1.0080 0 11403 DPE 95 DPPE HY HAL2 0.090000 1.0080 0 11404 DPE 95 DPPE O31 OSL -0.340000 15.9994 0 11405 DPE 95 DPPE C31 CL 0.630000 12.0110 0 11406 DPE 95 DPPE O32 OBL -0.520000 15.9994 0 11407 DPE 95 DPPE C32 CTL2 -0.080000 12.0110 0 11408 DPE 95 DPPE H2X HAL2 0.090000 1.0080 0 11409 DPE 95 DPPE H2Y HAL2 0.090000 1.0080 0 11410 DPE 95 DPPE C23 CTL2 -0.180000 12.0110 0 11411 DPE 95 DPPE H3R HAL2 0.090000 1.0080 0 11412 DPE 95 DPPE H3S HAL2 0.090000 1.0080 0 11413 DPE 95 DPPE C24 CTL2 -0.180000 12.0110 0 11414 DPE 95 DPPE H4R HAL2 0.090000 1.0080 0 11415 DPE 95 DPPE H4S HAL2 0.090000 1.0080 0 11416 DPE 95 DPPE C25 CTL2 -0.180000 12.0110 0 11417 DPE 95 DPPE H5R HAL2 0.090000 1.0080 0 11418 DPE 95 DPPE H5S HAL2 0.090000 1.0080 0 11419 DPE 95 DPPE C26 CTL2 -0.180000 12.0110 0 11420 DPE 95 DPPE H6R HAL2 0.090000 1.0080 0 11421 DPE 95 DPPE H6S HAL2 0.090000 1.0080 0 11422 DPE 95 DPPE C27 CTL2 -0.180000 12.0110 0 11423 DPE 95 DPPE H7R HAL2 0.090000 1.0080 0 11424 DPE 95 DPPE H7S HAL2 0.090000 1.0080 0 11425 DPE 95 DPPE C28 CTL2 -0.180000 12.0110 0 11426 DPE 95 DPPE H8R HAL2 0.090000 1.0080 0 11427 DPE 95 DPPE H8S HAL2 0.090000 1.0080 0 11428 DPE 95 DPPE C29 CTL2 -0.180000 12.0110 0 11429 DPE 95 DPPE H9R HAL2 0.090000 1.0080 0 11430 DPE 95 DPPE H9S HAL2 0.090000 1.0080 0 11431 DPE 95 DPPE C210 CTL2 -0.180000 12.0110 0 11432 DPE 95 DPPE H10R HAL2 0.090000 1.0080 0 11433 DPE 95 DPPE H10S HAL2 0.090000 1.0080 0 11434 DPE 95 DPPE C211 CTL2 -0.180000 12.0110 0 11435 DPE 95 DPPE H11R HAL2 0.090000 1.0080 0 11436 DPE 95 DPPE H11S HAL2 0.090000 1.0080 0 11437 DPE 95 DPPE C212 CTL2 -0.180000 12.0110 0 11438 DPE 95 DPPE H12R HAL2 0.090000 1.0080 0 11439 DPE 95 DPPE H12S HAL2 0.090000 1.0080 0 11440 DPE 95 DPPE C213 CTL2 -0.180000 12.0110 0 11441 DPE 95 DPPE H13R HAL2 0.090000 1.0080 0 11442 DPE 95 DPPE H13S HAL2 0.090000 1.0080 0 11443 DPE 95 DPPE C214 CTL2 -0.180000 12.0110 0 11444 DPE 95 DPPE H14R HAL2 0.090000 1.0080 0 11445 DPE 95 DPPE H14S HAL2 0.090000 1.0080 0 11446 DPE 95 DPPE C215 CTL2 -0.180000 12.0110 0 11447 DPE 95 DPPE H15R HAL2 0.090000 1.0080 0 11448 DPE 95 DPPE H15S HAL2 0.090000 1.0080 0 11449 DPE 95 DPPE C216 CTL3 -0.270000 12.0110 0 11450 DPE 95 DPPE H16R HAL3 0.090000 1.0080 0 11451 DPE 95 DPPE H16S HAL3 0.090000 1.0080 0 11452 DPE 95 DPPE H16T HAL3 0.090000 1.0080 0 11453 DPE 95 DPPE C33 CTL2 -0.180000 12.0110 0 11454 DPE 95 DPPE H3X HAL2 0.090000 1.0080 0 11455 DPE 95 DPPE H3Y HAL2 0.090000 1.0080 0 11456 DPE 95 DPPE C34 CTL2 -0.180000 12.0110 0 11457 DPE 95 DPPE H4X HAL2 0.090000 1.0080 0 11458 DPE 95 DPPE H4Y HAL2 0.090000 1.0080 0 11459 DPE 95 DPPE C35 CTL2 -0.180000 12.0110 0 11460 DPE 95 DPPE H5X HAL2 0.090000 1.0080 0 11461 DPE 95 DPPE H5Y HAL2 0.090000 1.0080 0 11462 DPE 95 DPPE C36 CTL2 -0.180000 12.0110 0 11463 DPE 95 DPPE H6X HAL2 0.090000 1.0080 0 11464 DPE 95 DPPE H6Y HAL2 0.090000 1.0080 0 11465 DPE 95 DPPE C37 CTL2 -0.180000 12.0110 0 11466 DPE 95 DPPE H7X HAL2 0.090000 1.0080 0 11467 DPE 95 DPPE H7Y HAL2 0.090000 1.0080 0 11468 DPE 95 DPPE C38 CTL2 -0.180000 12.0110 0 11469 DPE 95 DPPE H8X HAL2 0.090000 1.0080 0 11470 DPE 95 DPPE H8Y HAL2 0.090000 1.0080 0 11471 DPE 95 DPPE C39 CTL2 -0.180000 12.0110 0 11472 DPE 95 DPPE H9X HAL2 0.090000 1.0080 0 11473 DPE 95 DPPE H9Y HAL2 0.090000 1.0080 0 11474 DPE 95 DPPE C310 CTL2 -0.180000 12.0110 0 11475 DPE 95 DPPE H10X HAL2 0.090000 1.0080 0 11476 DPE 95 DPPE H10Y HAL2 0.090000 1.0080 0 11477 DPE 95 DPPE C311 CTL2 -0.180000 12.0110 0 11478 DPE 95 DPPE H11X HAL2 0.090000 1.0080 0 11479 DPE 95 DPPE H11Y HAL2 0.090000 1.0080 0 11480 DPE 95 DPPE C312 CTL2 -0.180000 12.0110 0 11481 DPE 95 DPPE H12X HAL2 0.090000 1.0080 0 11482 DPE 95 DPPE H12Y HAL2 0.090000 1.0080 0 11483 DPE 95 DPPE C313 CTL2 -0.180000 12.0110 0 11484 DPE 95 DPPE H13X HAL2 0.090000 1.0080 0 11485 DPE 95 DPPE H13Y HAL2 0.090000 1.0080 0 11486 DPE 95 DPPE C314 CTL2 -0.180000 12.0110 0 11487 DPE 95 DPPE H14X HAL2 0.090000 1.0080 0 11488 DPE 95 DPPE H14Y HAL2 0.090000 1.0080 0 11489 DPE 95 DPPE C315 CTL2 -0.180000 12.0110 0 11490 DPE 95 DPPE H15X HAL2 0.090000 1.0080 0 11491 DPE 95 DPPE H15Y HAL2 0.090000 1.0080 0 11492 DPE 95 DPPE C316 CTL3 -0.270000 12.0110 0 11493 DPE 95 DPPE H16X HAL3 0.090000 1.0080 0 11494 DPE 95 DPPE H16Y HAL3 0.090000 1.0080 0 11495 DPE 95 DPPE H16Z HAL3 0.090000 1.0080 0 11496 DPE 96 DPPE N NH3L -0.300000 14.0070 0 11497 DPE 96 DPPE HN1 HCL 0.330000 1.0080 0 11498 DPE 96 DPPE HN2 HCL 0.330000 1.0080 0 11499 DPE 96 DPPE HN3 HCL 0.330000 1.0080 0 11500 DPE 96 DPPE C12 CTL2 0.130000 12.0110 0 11501 DPE 96 DPPE H12A HAL2 0.090000 1.0080 0 11502 DPE 96 DPPE H12B HAL2 0.090000 1.0080 0 11503 DPE 96 DPPE C11 CTL2 -0.080000 12.0110 0 11504 DPE 96 DPPE H11A HAL2 0.090000 1.0080 0 11505 DPE 96 DPPE H11B HAL2 0.090000 1.0080 0 11506 DPE 96 DPPE P PL 1.500000 30.9740 0 11507 DPE 96 DPPE O13 O2L -0.780000 15.9994 0 11508 DPE 96 DPPE O14 O2L -0.780000 15.9994 0 11509 DPE 96 DPPE O11 OSL -0.570000 15.9994 0 11510 DPE 96 DPPE O12 OSL -0.570000 15.9994 0 11511 DPE 96 DPPE C1 CTL2 -0.080000 12.0110 0 11512 DPE 96 DPPE HA HAL2 0.090000 1.0080 0 11513 DPE 96 DPPE HB HAL2 0.090000 1.0080 0 11514 DPE 96 DPPE C2 CTL1 0.040000 12.0110 0 11515 DPE 96 DPPE HS HAL1 0.090000 1.0080 0 11516 DPE 96 DPPE O21 OSL -0.340000 15.9994 0 11517 DPE 96 DPPE C21 CL 0.630000 12.0110 0 11518 DPE 96 DPPE O22 OBL -0.520000 15.9994 0 11519 DPE 96 DPPE C22 CTL2 -0.080000 12.0110 0 11520 DPE 96 DPPE H2R HAL2 0.090000 1.0080 0 11521 DPE 96 DPPE H2S HAL2 0.090000 1.0080 0 11522 DPE 96 DPPE C3 CTL2 -0.050000 12.0110 0 11523 DPE 96 DPPE HX HAL2 0.090000 1.0080 0 11524 DPE 96 DPPE HY HAL2 0.090000 1.0080 0 11525 DPE 96 DPPE O31 OSL -0.340000 15.9994 0 11526 DPE 96 DPPE C31 CL 0.630000 12.0110 0 11527 DPE 96 DPPE O32 OBL -0.520000 15.9994 0 11528 DPE 96 DPPE C32 CTL2 -0.080000 12.0110 0 11529 DPE 96 DPPE H2X HAL2 0.090000 1.0080 0 11530 DPE 96 DPPE H2Y HAL2 0.090000 1.0080 0 11531 DPE 96 DPPE C23 CTL2 -0.180000 12.0110 0 11532 DPE 96 DPPE H3R HAL2 0.090000 1.0080 0 11533 DPE 96 DPPE H3S HAL2 0.090000 1.0080 0 11534 DPE 96 DPPE C24 CTL2 -0.180000 12.0110 0 11535 DPE 96 DPPE H4R HAL2 0.090000 1.0080 0 11536 DPE 96 DPPE H4S HAL2 0.090000 1.0080 0 11537 DPE 96 DPPE C25 CTL2 -0.180000 12.0110 0 11538 DPE 96 DPPE H5R HAL2 0.090000 1.0080 0 11539 DPE 96 DPPE H5S HAL2 0.090000 1.0080 0 11540 DPE 96 DPPE C26 CTL2 -0.180000 12.0110 0 11541 DPE 96 DPPE H6R HAL2 0.090000 1.0080 0 11542 DPE 96 DPPE H6S HAL2 0.090000 1.0080 0 11543 DPE 96 DPPE C27 CTL2 -0.180000 12.0110 0 11544 DPE 96 DPPE H7R HAL2 0.090000 1.0080 0 11545 DPE 96 DPPE H7S HAL2 0.090000 1.0080 0 11546 DPE 96 DPPE C28 CTL2 -0.180000 12.0110 0 11547 DPE 96 DPPE H8R HAL2 0.090000 1.0080 0 11548 DPE 96 DPPE H8S HAL2 0.090000 1.0080 0 11549 DPE 96 DPPE C29 CTL2 -0.180000 12.0110 0 11550 DPE 96 DPPE H9R HAL2 0.090000 1.0080 0 11551 DPE 96 DPPE H9S HAL2 0.090000 1.0080 0 11552 DPE 96 DPPE C210 CTL2 -0.180000 12.0110 0 11553 DPE 96 DPPE H10R HAL2 0.090000 1.0080 0 11554 DPE 96 DPPE H10S HAL2 0.090000 1.0080 0 11555 DPE 96 DPPE C211 CTL2 -0.180000 12.0110 0 11556 DPE 96 DPPE H11R HAL2 0.090000 1.0080 0 11557 DPE 96 DPPE H11S HAL2 0.090000 1.0080 0 11558 DPE 96 DPPE C212 CTL2 -0.180000 12.0110 0 11559 DPE 96 DPPE H12R HAL2 0.090000 1.0080 0 11560 DPE 96 DPPE H12S HAL2 0.090000 1.0080 0 11561 DPE 96 DPPE C213 CTL2 -0.180000 12.0110 0 11562 DPE 96 DPPE H13R HAL2 0.090000 1.0080 0 11563 DPE 96 DPPE H13S HAL2 0.090000 1.0080 0 11564 DPE 96 DPPE C214 CTL2 -0.180000 12.0110 0 11565 DPE 96 DPPE H14R HAL2 0.090000 1.0080 0 11566 DPE 96 DPPE H14S HAL2 0.090000 1.0080 0 11567 DPE 96 DPPE C215 CTL2 -0.180000 12.0110 0 11568 DPE 96 DPPE H15R HAL2 0.090000 1.0080 0 11569 DPE 96 DPPE H15S HAL2 0.090000 1.0080 0 11570 DPE 96 DPPE C216 CTL3 -0.270000 12.0110 0 11571 DPE 96 DPPE H16R HAL3 0.090000 1.0080 0 11572 DPE 96 DPPE H16S HAL3 0.090000 1.0080 0 11573 DPE 96 DPPE H16T HAL3 0.090000 1.0080 0 11574 DPE 96 DPPE C33 CTL2 -0.180000 12.0110 0 11575 DPE 96 DPPE H3X HAL2 0.090000 1.0080 0 11576 DPE 96 DPPE H3Y HAL2 0.090000 1.0080 0 11577 DPE 96 DPPE C34 CTL2 -0.180000 12.0110 0 11578 DPE 96 DPPE H4X HAL2 0.090000 1.0080 0 11579 DPE 96 DPPE H4Y HAL2 0.090000 1.0080 0 11580 DPE 96 DPPE C35 CTL2 -0.180000 12.0110 0 11581 DPE 96 DPPE H5X HAL2 0.090000 1.0080 0 11582 DPE 96 DPPE H5Y HAL2 0.090000 1.0080 0 11583 DPE 96 DPPE C36 CTL2 -0.180000 12.0110 0 11584 DPE 96 DPPE H6X HAL2 0.090000 1.0080 0 11585 DPE 96 DPPE H6Y HAL2 0.090000 1.0080 0 11586 DPE 96 DPPE C37 CTL2 -0.180000 12.0110 0 11587 DPE 96 DPPE H7X HAL2 0.090000 1.0080 0 11588 DPE 96 DPPE H7Y HAL2 0.090000 1.0080 0 11589 DPE 96 DPPE C38 CTL2 -0.180000 12.0110 0 11590 DPE 96 DPPE H8X HAL2 0.090000 1.0080 0 11591 DPE 96 DPPE H8Y HAL2 0.090000 1.0080 0 11592 DPE 96 DPPE C39 CTL2 -0.180000 12.0110 0 11593 DPE 96 DPPE H9X HAL2 0.090000 1.0080 0 11594 DPE 96 DPPE H9Y HAL2 0.090000 1.0080 0 11595 DPE 96 DPPE C310 CTL2 -0.180000 12.0110 0 11596 DPE 96 DPPE H10X HAL2 0.090000 1.0080 0 11597 DPE 96 DPPE H10Y HAL2 0.090000 1.0080 0 11598 DPE 96 DPPE C311 CTL2 -0.180000 12.0110 0 11599 DPE 96 DPPE H11X HAL2 0.090000 1.0080 0 11600 DPE 96 DPPE H11Y HAL2 0.090000 1.0080 0 11601 DPE 96 DPPE C312 CTL2 -0.180000 12.0110 0 11602 DPE 96 DPPE H12X HAL2 0.090000 1.0080 0 11603 DPE 96 DPPE H12Y HAL2 0.090000 1.0080 0 11604 DPE 96 DPPE C313 CTL2 -0.180000 12.0110 0 11605 DPE 96 DPPE H13X HAL2 0.090000 1.0080 0 11606 DPE 96 DPPE H13Y HAL2 0.090000 1.0080 0 11607 DPE 96 DPPE C314 CTL2 -0.180000 12.0110 0 11608 DPE 96 DPPE H14X HAL2 0.090000 1.0080 0 11609 DPE 96 DPPE H14Y HAL2 0.090000 1.0080 0 11610 DPE 96 DPPE C315 CTL2 -0.180000 12.0110 0 11611 DPE 96 DPPE H15X HAL2 0.090000 1.0080 0 11612 DPE 96 DPPE H15Y HAL2 0.090000 1.0080 0 11613 DPE 96 DPPE C316 CTL3 -0.270000 12.0110 0 11614 DPE 96 DPPE H16X HAL3 0.090000 1.0080 0 11615 DPE 96 DPPE H16Y HAL3 0.090000 1.0080 0 11616 DPE 96 DPPE H16Z HAL3 0.090000 1.0080 0 11617 DPE 97 DPPE N NH3L -0.300000 14.0070 0 11618 DPE 97 DPPE HN1 HCL 0.330000 1.0080 0 11619 DPE 97 DPPE HN2 HCL 0.330000 1.0080 0 11620 DPE 97 DPPE HN3 HCL 0.330000 1.0080 0 11621 DPE 97 DPPE C12 CTL2 0.130000 12.0110 0 11622 DPE 97 DPPE H12A HAL2 0.090000 1.0080 0 11623 DPE 97 DPPE H12B HAL2 0.090000 1.0080 0 11624 DPE 97 DPPE C11 CTL2 -0.080000 12.0110 0 11625 DPE 97 DPPE H11A HAL2 0.090000 1.0080 0 11626 DPE 97 DPPE H11B HAL2 0.090000 1.0080 0 11627 DPE 97 DPPE P PL 1.500000 30.9740 0 11628 DPE 97 DPPE O13 O2L -0.780000 15.9994 0 11629 DPE 97 DPPE O14 O2L -0.780000 15.9994 0 11630 DPE 97 DPPE O11 OSL -0.570000 15.9994 0 11631 DPE 97 DPPE O12 OSL -0.570000 15.9994 0 11632 DPE 97 DPPE C1 CTL2 -0.080000 12.0110 0 11633 DPE 97 DPPE HA HAL2 0.090000 1.0080 0 11634 DPE 97 DPPE HB HAL2 0.090000 1.0080 0 11635 DPE 97 DPPE C2 CTL1 0.040000 12.0110 0 11636 DPE 97 DPPE HS HAL1 0.090000 1.0080 0 11637 DPE 97 DPPE O21 OSL -0.340000 15.9994 0 11638 DPE 97 DPPE C21 CL 0.630000 12.0110 0 11639 DPE 97 DPPE O22 OBL -0.520000 15.9994 0 11640 DPE 97 DPPE C22 CTL2 -0.080000 12.0110 0 11641 DPE 97 DPPE H2R HAL2 0.090000 1.0080 0 11642 DPE 97 DPPE H2S HAL2 0.090000 1.0080 0 11643 DPE 97 DPPE C3 CTL2 -0.050000 12.0110 0 11644 DPE 97 DPPE HX HAL2 0.090000 1.0080 0 11645 DPE 97 DPPE HY HAL2 0.090000 1.0080 0 11646 DPE 97 DPPE O31 OSL -0.340000 15.9994 0 11647 DPE 97 DPPE C31 CL 0.630000 12.0110 0 11648 DPE 97 DPPE O32 OBL -0.520000 15.9994 0 11649 DPE 97 DPPE C32 CTL2 -0.080000 12.0110 0 11650 DPE 97 DPPE H2X HAL2 0.090000 1.0080 0 11651 DPE 97 DPPE H2Y HAL2 0.090000 1.0080 0 11652 DPE 97 DPPE C23 CTL2 -0.180000 12.0110 0 11653 DPE 97 DPPE H3R HAL2 0.090000 1.0080 0 11654 DPE 97 DPPE H3S HAL2 0.090000 1.0080 0 11655 DPE 97 DPPE C24 CTL2 -0.180000 12.0110 0 11656 DPE 97 DPPE H4R HAL2 0.090000 1.0080 0 11657 DPE 97 DPPE H4S HAL2 0.090000 1.0080 0 11658 DPE 97 DPPE C25 CTL2 -0.180000 12.0110 0 11659 DPE 97 DPPE H5R HAL2 0.090000 1.0080 0 11660 DPE 97 DPPE H5S HAL2 0.090000 1.0080 0 11661 DPE 97 DPPE C26 CTL2 -0.180000 12.0110 0 11662 DPE 97 DPPE H6R HAL2 0.090000 1.0080 0 11663 DPE 97 DPPE H6S HAL2 0.090000 1.0080 0 11664 DPE 97 DPPE C27 CTL2 -0.180000 12.0110 0 11665 DPE 97 DPPE H7R HAL2 0.090000 1.0080 0 11666 DPE 97 DPPE H7S HAL2 0.090000 1.0080 0 11667 DPE 97 DPPE C28 CTL2 -0.180000 12.0110 0 11668 DPE 97 DPPE H8R HAL2 0.090000 1.0080 0 11669 DPE 97 DPPE H8S HAL2 0.090000 1.0080 0 11670 DPE 97 DPPE C29 CTL2 -0.180000 12.0110 0 11671 DPE 97 DPPE H9R HAL2 0.090000 1.0080 0 11672 DPE 97 DPPE H9S HAL2 0.090000 1.0080 0 11673 DPE 97 DPPE C210 CTL2 -0.180000 12.0110 0 11674 DPE 97 DPPE H10R HAL2 0.090000 1.0080 0 11675 DPE 97 DPPE H10S HAL2 0.090000 1.0080 0 11676 DPE 97 DPPE C211 CTL2 -0.180000 12.0110 0 11677 DPE 97 DPPE H11R HAL2 0.090000 1.0080 0 11678 DPE 97 DPPE H11S HAL2 0.090000 1.0080 0 11679 DPE 97 DPPE C212 CTL2 -0.180000 12.0110 0 11680 DPE 97 DPPE H12R HAL2 0.090000 1.0080 0 11681 DPE 97 DPPE H12S HAL2 0.090000 1.0080 0 11682 DPE 97 DPPE C213 CTL2 -0.180000 12.0110 0 11683 DPE 97 DPPE H13R HAL2 0.090000 1.0080 0 11684 DPE 97 DPPE H13S HAL2 0.090000 1.0080 0 11685 DPE 97 DPPE C214 CTL2 -0.180000 12.0110 0 11686 DPE 97 DPPE H14R HAL2 0.090000 1.0080 0 11687 DPE 97 DPPE H14S HAL2 0.090000 1.0080 0 11688 DPE 97 DPPE C215 CTL2 -0.180000 12.0110 0 11689 DPE 97 DPPE H15R HAL2 0.090000 1.0080 0 11690 DPE 97 DPPE H15S HAL2 0.090000 1.0080 0 11691 DPE 97 DPPE C216 CTL3 -0.270000 12.0110 0 11692 DPE 97 DPPE H16R HAL3 0.090000 1.0080 0 11693 DPE 97 DPPE H16S HAL3 0.090000 1.0080 0 11694 DPE 97 DPPE H16T HAL3 0.090000 1.0080 0 11695 DPE 97 DPPE C33 CTL2 -0.180000 12.0110 0 11696 DPE 97 DPPE H3X HAL2 0.090000 1.0080 0 11697 DPE 97 DPPE H3Y HAL2 0.090000 1.0080 0 11698 DPE 97 DPPE C34 CTL2 -0.180000 12.0110 0 11699 DPE 97 DPPE H4X HAL2 0.090000 1.0080 0 11700 DPE 97 DPPE H4Y HAL2 0.090000 1.0080 0 11701 DPE 97 DPPE C35 CTL2 -0.180000 12.0110 0 11702 DPE 97 DPPE H5X HAL2 0.090000 1.0080 0 11703 DPE 97 DPPE H5Y HAL2 0.090000 1.0080 0 11704 DPE 97 DPPE C36 CTL2 -0.180000 12.0110 0 11705 DPE 97 DPPE H6X HAL2 0.090000 1.0080 0 11706 DPE 97 DPPE H6Y HAL2 0.090000 1.0080 0 11707 DPE 97 DPPE C37 CTL2 -0.180000 12.0110 0 11708 DPE 97 DPPE H7X HAL2 0.090000 1.0080 0 11709 DPE 97 DPPE H7Y HAL2 0.090000 1.0080 0 11710 DPE 97 DPPE C38 CTL2 -0.180000 12.0110 0 11711 DPE 97 DPPE H8X HAL2 0.090000 1.0080 0 11712 DPE 97 DPPE H8Y HAL2 0.090000 1.0080 0 11713 DPE 97 DPPE C39 CTL2 -0.180000 12.0110 0 11714 DPE 97 DPPE H9X HAL2 0.090000 1.0080 0 11715 DPE 97 DPPE H9Y HAL2 0.090000 1.0080 0 11716 DPE 97 DPPE C310 CTL2 -0.180000 12.0110 0 11717 DPE 97 DPPE H10X HAL2 0.090000 1.0080 0 11718 DPE 97 DPPE H10Y HAL2 0.090000 1.0080 0 11719 DPE 97 DPPE C311 CTL2 -0.180000 12.0110 0 11720 DPE 97 DPPE H11X HAL2 0.090000 1.0080 0 11721 DPE 97 DPPE H11Y HAL2 0.090000 1.0080 0 11722 DPE 97 DPPE C312 CTL2 -0.180000 12.0110 0 11723 DPE 97 DPPE H12X HAL2 0.090000 1.0080 0 11724 DPE 97 DPPE H12Y HAL2 0.090000 1.0080 0 11725 DPE 97 DPPE C313 CTL2 -0.180000 12.0110 0 11726 DPE 97 DPPE H13X HAL2 0.090000 1.0080 0 11727 DPE 97 DPPE H13Y HAL2 0.090000 1.0080 0 11728 DPE 97 DPPE C314 CTL2 -0.180000 12.0110 0 11729 DPE 97 DPPE H14X HAL2 0.090000 1.0080 0 11730 DPE 97 DPPE H14Y HAL2 0.090000 1.0080 0 11731 DPE 97 DPPE C315 CTL2 -0.180000 12.0110 0 11732 DPE 97 DPPE H15X HAL2 0.090000 1.0080 0 11733 DPE 97 DPPE H15Y HAL2 0.090000 1.0080 0 11734 DPE 97 DPPE C316 CTL3 -0.270000 12.0110 0 11735 DPE 97 DPPE H16X HAL3 0.090000 1.0080 0 11736 DPE 97 DPPE H16Y HAL3 0.090000 1.0080 0 11737 DPE 97 DPPE H16Z HAL3 0.090000 1.0080 0 11738 DPE 98 DPPE N NH3L -0.300000 14.0070 0 11739 DPE 98 DPPE HN1 HCL 0.330000 1.0080 0 11740 DPE 98 DPPE HN2 HCL 0.330000 1.0080 0 11741 DPE 98 DPPE HN3 HCL 0.330000 1.0080 0 11742 DPE 98 DPPE C12 CTL2 0.130000 12.0110 0 11743 DPE 98 DPPE H12A HAL2 0.090000 1.0080 0 11744 DPE 98 DPPE H12B HAL2 0.090000 1.0080 0 11745 DPE 98 DPPE C11 CTL2 -0.080000 12.0110 0 11746 DPE 98 DPPE H11A HAL2 0.090000 1.0080 0 11747 DPE 98 DPPE H11B HAL2 0.090000 1.0080 0 11748 DPE 98 DPPE P PL 1.500000 30.9740 0 11749 DPE 98 DPPE O13 O2L -0.780000 15.9994 0 11750 DPE 98 DPPE O14 O2L -0.780000 15.9994 0 11751 DPE 98 DPPE O11 OSL -0.570000 15.9994 0 11752 DPE 98 DPPE O12 OSL -0.570000 15.9994 0 11753 DPE 98 DPPE C1 CTL2 -0.080000 12.0110 0 11754 DPE 98 DPPE HA HAL2 0.090000 1.0080 0 11755 DPE 98 DPPE HB HAL2 0.090000 1.0080 0 11756 DPE 98 DPPE C2 CTL1 0.040000 12.0110 0 11757 DPE 98 DPPE HS HAL1 0.090000 1.0080 0 11758 DPE 98 DPPE O21 OSL -0.340000 15.9994 0 11759 DPE 98 DPPE C21 CL 0.630000 12.0110 0 11760 DPE 98 DPPE O22 OBL -0.520000 15.9994 0 11761 DPE 98 DPPE C22 CTL2 -0.080000 12.0110 0 11762 DPE 98 DPPE H2R HAL2 0.090000 1.0080 0 11763 DPE 98 DPPE H2S HAL2 0.090000 1.0080 0 11764 DPE 98 DPPE C3 CTL2 -0.050000 12.0110 0 11765 DPE 98 DPPE HX HAL2 0.090000 1.0080 0 11766 DPE 98 DPPE HY HAL2 0.090000 1.0080 0 11767 DPE 98 DPPE O31 OSL -0.340000 15.9994 0 11768 DPE 98 DPPE C31 CL 0.630000 12.0110 0 11769 DPE 98 DPPE O32 OBL -0.520000 15.9994 0 11770 DPE 98 DPPE C32 CTL2 -0.080000 12.0110 0 11771 DPE 98 DPPE H2X HAL2 0.090000 1.0080 0 11772 DPE 98 DPPE H2Y HAL2 0.090000 1.0080 0 11773 DPE 98 DPPE C23 CTL2 -0.180000 12.0110 0 11774 DPE 98 DPPE H3R HAL2 0.090000 1.0080 0 11775 DPE 98 DPPE H3S HAL2 0.090000 1.0080 0 11776 DPE 98 DPPE C24 CTL2 -0.180000 12.0110 0 11777 DPE 98 DPPE H4R HAL2 0.090000 1.0080 0 11778 DPE 98 DPPE H4S HAL2 0.090000 1.0080 0 11779 DPE 98 DPPE C25 CTL2 -0.180000 12.0110 0 11780 DPE 98 DPPE H5R HAL2 0.090000 1.0080 0 11781 DPE 98 DPPE H5S HAL2 0.090000 1.0080 0 11782 DPE 98 DPPE C26 CTL2 -0.180000 12.0110 0 11783 DPE 98 DPPE H6R HAL2 0.090000 1.0080 0 11784 DPE 98 DPPE H6S HAL2 0.090000 1.0080 0 11785 DPE 98 DPPE C27 CTL2 -0.180000 12.0110 0 11786 DPE 98 DPPE H7R HAL2 0.090000 1.0080 0 11787 DPE 98 DPPE H7S HAL2 0.090000 1.0080 0 11788 DPE 98 DPPE C28 CTL2 -0.180000 12.0110 0 11789 DPE 98 DPPE H8R HAL2 0.090000 1.0080 0 11790 DPE 98 DPPE H8S HAL2 0.090000 1.0080 0 11791 DPE 98 DPPE C29 CTL2 -0.180000 12.0110 0 11792 DPE 98 DPPE H9R HAL2 0.090000 1.0080 0 11793 DPE 98 DPPE H9S HAL2 0.090000 1.0080 0 11794 DPE 98 DPPE C210 CTL2 -0.180000 12.0110 0 11795 DPE 98 DPPE H10R HAL2 0.090000 1.0080 0 11796 DPE 98 DPPE H10S HAL2 0.090000 1.0080 0 11797 DPE 98 DPPE C211 CTL2 -0.180000 12.0110 0 11798 DPE 98 DPPE H11R HAL2 0.090000 1.0080 0 11799 DPE 98 DPPE H11S HAL2 0.090000 1.0080 0 11800 DPE 98 DPPE C212 CTL2 -0.180000 12.0110 0 11801 DPE 98 DPPE H12R HAL2 0.090000 1.0080 0 11802 DPE 98 DPPE H12S HAL2 0.090000 1.0080 0 11803 DPE 98 DPPE C213 CTL2 -0.180000 12.0110 0 11804 DPE 98 DPPE H13R HAL2 0.090000 1.0080 0 11805 DPE 98 DPPE H13S HAL2 0.090000 1.0080 0 11806 DPE 98 DPPE C214 CTL2 -0.180000 12.0110 0 11807 DPE 98 DPPE H14R HAL2 0.090000 1.0080 0 11808 DPE 98 DPPE H14S HAL2 0.090000 1.0080 0 11809 DPE 98 DPPE C215 CTL2 -0.180000 12.0110 0 11810 DPE 98 DPPE H15R HAL2 0.090000 1.0080 0 11811 DPE 98 DPPE H15S HAL2 0.090000 1.0080 0 11812 DPE 98 DPPE C216 CTL3 -0.270000 12.0110 0 11813 DPE 98 DPPE H16R HAL3 0.090000 1.0080 0 11814 DPE 98 DPPE H16S HAL3 0.090000 1.0080 0 11815 DPE 98 DPPE H16T HAL3 0.090000 1.0080 0 11816 DPE 98 DPPE C33 CTL2 -0.180000 12.0110 0 11817 DPE 98 DPPE H3X HAL2 0.090000 1.0080 0 11818 DPE 98 DPPE H3Y HAL2 0.090000 1.0080 0 11819 DPE 98 DPPE C34 CTL2 -0.180000 12.0110 0 11820 DPE 98 DPPE H4X HAL2 0.090000 1.0080 0 11821 DPE 98 DPPE H4Y HAL2 0.090000 1.0080 0 11822 DPE 98 DPPE C35 CTL2 -0.180000 12.0110 0 11823 DPE 98 DPPE H5X HAL2 0.090000 1.0080 0 11824 DPE 98 DPPE H5Y HAL2 0.090000 1.0080 0 11825 DPE 98 DPPE C36 CTL2 -0.180000 12.0110 0 11826 DPE 98 DPPE H6X HAL2 0.090000 1.0080 0 11827 DPE 98 DPPE H6Y HAL2 0.090000 1.0080 0 11828 DPE 98 DPPE C37 CTL2 -0.180000 12.0110 0 11829 DPE 98 DPPE H7X HAL2 0.090000 1.0080 0 11830 DPE 98 DPPE H7Y HAL2 0.090000 1.0080 0 11831 DPE 98 DPPE C38 CTL2 -0.180000 12.0110 0 11832 DPE 98 DPPE H8X HAL2 0.090000 1.0080 0 11833 DPE 98 DPPE H8Y HAL2 0.090000 1.0080 0 11834 DPE 98 DPPE C39 CTL2 -0.180000 12.0110 0 11835 DPE 98 DPPE H9X HAL2 0.090000 1.0080 0 11836 DPE 98 DPPE H9Y HAL2 0.090000 1.0080 0 11837 DPE 98 DPPE C310 CTL2 -0.180000 12.0110 0 11838 DPE 98 DPPE H10X HAL2 0.090000 1.0080 0 11839 DPE 98 DPPE H10Y HAL2 0.090000 1.0080 0 11840 DPE 98 DPPE C311 CTL2 -0.180000 12.0110 0 11841 DPE 98 DPPE H11X HAL2 0.090000 1.0080 0 11842 DPE 98 DPPE H11Y HAL2 0.090000 1.0080 0 11843 DPE 98 DPPE C312 CTL2 -0.180000 12.0110 0 11844 DPE 98 DPPE H12X HAL2 0.090000 1.0080 0 11845 DPE 98 DPPE H12Y HAL2 0.090000 1.0080 0 11846 DPE 98 DPPE C313 CTL2 -0.180000 12.0110 0 11847 DPE 98 DPPE H13X HAL2 0.090000 1.0080 0 11848 DPE 98 DPPE H13Y HAL2 0.090000 1.0080 0 11849 DPE 98 DPPE C314 CTL2 -0.180000 12.0110 0 11850 DPE 98 DPPE H14X HAL2 0.090000 1.0080 0 11851 DPE 98 DPPE H14Y HAL2 0.090000 1.0080 0 11852 DPE 98 DPPE C315 CTL2 -0.180000 12.0110 0 11853 DPE 98 DPPE H15X HAL2 0.090000 1.0080 0 11854 DPE 98 DPPE H15Y HAL2 0.090000 1.0080 0 11855 DPE 98 DPPE C316 CTL3 -0.270000 12.0110 0 11856 DPE 98 DPPE H16X HAL3 0.090000 1.0080 0 11857 DPE 98 DPPE H16Y HAL3 0.090000 1.0080 0 11858 DPE 98 DPPE H16Z HAL3 0.090000 1.0080 0 11859 DPE 99 DPPE N NH3L -0.300000 14.0070 0 11860 DPE 99 DPPE HN1 HCL 0.330000 1.0080 0 11861 DPE 99 DPPE HN2 HCL 0.330000 1.0080 0 11862 DPE 99 DPPE HN3 HCL 0.330000 1.0080 0 11863 DPE 99 DPPE C12 CTL2 0.130000 12.0110 0 11864 DPE 99 DPPE H12A HAL2 0.090000 1.0080 0 11865 DPE 99 DPPE H12B HAL2 0.090000 1.0080 0 11866 DPE 99 DPPE C11 CTL2 -0.080000 12.0110 0 11867 DPE 99 DPPE H11A HAL2 0.090000 1.0080 0 11868 DPE 99 DPPE H11B HAL2 0.090000 1.0080 0 11869 DPE 99 DPPE P PL 1.500000 30.9740 0 11870 DPE 99 DPPE O13 O2L -0.780000 15.9994 0 11871 DPE 99 DPPE O14 O2L -0.780000 15.9994 0 11872 DPE 99 DPPE O11 OSL -0.570000 15.9994 0 11873 DPE 99 DPPE O12 OSL -0.570000 15.9994 0 11874 DPE 99 DPPE C1 CTL2 -0.080000 12.0110 0 11875 DPE 99 DPPE HA HAL2 0.090000 1.0080 0 11876 DPE 99 DPPE HB HAL2 0.090000 1.0080 0 11877 DPE 99 DPPE C2 CTL1 0.040000 12.0110 0 11878 DPE 99 DPPE HS HAL1 0.090000 1.0080 0 11879 DPE 99 DPPE O21 OSL -0.340000 15.9994 0 11880 DPE 99 DPPE C21 CL 0.630000 12.0110 0 11881 DPE 99 DPPE O22 OBL -0.520000 15.9994 0 11882 DPE 99 DPPE C22 CTL2 -0.080000 12.0110 0 11883 DPE 99 DPPE H2R HAL2 0.090000 1.0080 0 11884 DPE 99 DPPE H2S HAL2 0.090000 1.0080 0 11885 DPE 99 DPPE C3 CTL2 -0.050000 12.0110 0 11886 DPE 99 DPPE HX HAL2 0.090000 1.0080 0 11887 DPE 99 DPPE HY HAL2 0.090000 1.0080 0 11888 DPE 99 DPPE O31 OSL -0.340000 15.9994 0 11889 DPE 99 DPPE C31 CL 0.630000 12.0110 0 11890 DPE 99 DPPE O32 OBL -0.520000 15.9994 0 11891 DPE 99 DPPE C32 CTL2 -0.080000 12.0110 0 11892 DPE 99 DPPE H2X HAL2 0.090000 1.0080 0 11893 DPE 99 DPPE H2Y HAL2 0.090000 1.0080 0 11894 DPE 99 DPPE C23 CTL2 -0.180000 12.0110 0 11895 DPE 99 DPPE H3R HAL2 0.090000 1.0080 0 11896 DPE 99 DPPE H3S HAL2 0.090000 1.0080 0 11897 DPE 99 DPPE C24 CTL2 -0.180000 12.0110 0 11898 DPE 99 DPPE H4R HAL2 0.090000 1.0080 0 11899 DPE 99 DPPE H4S HAL2 0.090000 1.0080 0 11900 DPE 99 DPPE C25 CTL2 -0.180000 12.0110 0 11901 DPE 99 DPPE H5R HAL2 0.090000 1.0080 0 11902 DPE 99 DPPE H5S HAL2 0.090000 1.0080 0 11903 DPE 99 DPPE C26 CTL2 -0.180000 12.0110 0 11904 DPE 99 DPPE H6R HAL2 0.090000 1.0080 0 11905 DPE 99 DPPE H6S HAL2 0.090000 1.0080 0 11906 DPE 99 DPPE C27 CTL2 -0.180000 12.0110 0 11907 DPE 99 DPPE H7R HAL2 0.090000 1.0080 0 11908 DPE 99 DPPE H7S HAL2 0.090000 1.0080 0 11909 DPE 99 DPPE C28 CTL2 -0.180000 12.0110 0 11910 DPE 99 DPPE H8R HAL2 0.090000 1.0080 0 11911 DPE 99 DPPE H8S HAL2 0.090000 1.0080 0 11912 DPE 99 DPPE C29 CTL2 -0.180000 12.0110 0 11913 DPE 99 DPPE H9R HAL2 0.090000 1.0080 0 11914 DPE 99 DPPE H9S HAL2 0.090000 1.0080 0 11915 DPE 99 DPPE C210 CTL2 -0.180000 12.0110 0 11916 DPE 99 DPPE H10R HAL2 0.090000 1.0080 0 11917 DPE 99 DPPE H10S HAL2 0.090000 1.0080 0 11918 DPE 99 DPPE C211 CTL2 -0.180000 12.0110 0 11919 DPE 99 DPPE H11R HAL2 0.090000 1.0080 0 11920 DPE 99 DPPE H11S HAL2 0.090000 1.0080 0 11921 DPE 99 DPPE C212 CTL2 -0.180000 12.0110 0 11922 DPE 99 DPPE H12R HAL2 0.090000 1.0080 0 11923 DPE 99 DPPE H12S HAL2 0.090000 1.0080 0 11924 DPE 99 DPPE C213 CTL2 -0.180000 12.0110 0 11925 DPE 99 DPPE H13R HAL2 0.090000 1.0080 0 11926 DPE 99 DPPE H13S HAL2 0.090000 1.0080 0 11927 DPE 99 DPPE C214 CTL2 -0.180000 12.0110 0 11928 DPE 99 DPPE H14R HAL2 0.090000 1.0080 0 11929 DPE 99 DPPE H14S HAL2 0.090000 1.0080 0 11930 DPE 99 DPPE C215 CTL2 -0.180000 12.0110 0 11931 DPE 99 DPPE H15R HAL2 0.090000 1.0080 0 11932 DPE 99 DPPE H15S HAL2 0.090000 1.0080 0 11933 DPE 99 DPPE C216 CTL3 -0.270000 12.0110 0 11934 DPE 99 DPPE H16R HAL3 0.090000 1.0080 0 11935 DPE 99 DPPE H16S HAL3 0.090000 1.0080 0 11936 DPE 99 DPPE H16T HAL3 0.090000 1.0080 0 11937 DPE 99 DPPE C33 CTL2 -0.180000 12.0110 0 11938 DPE 99 DPPE H3X HAL2 0.090000 1.0080 0 11939 DPE 99 DPPE H3Y HAL2 0.090000 1.0080 0 11940 DPE 99 DPPE C34 CTL2 -0.180000 12.0110 0 11941 DPE 99 DPPE H4X HAL2 0.090000 1.0080 0 11942 DPE 99 DPPE H4Y HAL2 0.090000 1.0080 0 11943 DPE 99 DPPE C35 CTL2 -0.180000 12.0110 0 11944 DPE 99 DPPE H5X HAL2 0.090000 1.0080 0 11945 DPE 99 DPPE H5Y HAL2 0.090000 1.0080 0 11946 DPE 99 DPPE C36 CTL2 -0.180000 12.0110 0 11947 DPE 99 DPPE H6X HAL2 0.090000 1.0080 0 11948 DPE 99 DPPE H6Y HAL2 0.090000 1.0080 0 11949 DPE 99 DPPE C37 CTL2 -0.180000 12.0110 0 11950 DPE 99 DPPE H7X HAL2 0.090000 1.0080 0 11951 DPE 99 DPPE H7Y HAL2 0.090000 1.0080 0 11952 DPE 99 DPPE C38 CTL2 -0.180000 12.0110 0 11953 DPE 99 DPPE H8X HAL2 0.090000 1.0080 0 11954 DPE 99 DPPE H8Y HAL2 0.090000 1.0080 0 11955 DPE 99 DPPE C39 CTL2 -0.180000 12.0110 0 11956 DPE 99 DPPE H9X HAL2 0.090000 1.0080 0 11957 DPE 99 DPPE H9Y HAL2 0.090000 1.0080 0 11958 DPE 99 DPPE C310 CTL2 -0.180000 12.0110 0 11959 DPE 99 DPPE H10X HAL2 0.090000 1.0080 0 11960 DPE 99 DPPE H10Y HAL2 0.090000 1.0080 0 11961 DPE 99 DPPE C311 CTL2 -0.180000 12.0110 0 11962 DPE 99 DPPE H11X HAL2 0.090000 1.0080 0 11963 DPE 99 DPPE H11Y HAL2 0.090000 1.0080 0 11964 DPE 99 DPPE C312 CTL2 -0.180000 12.0110 0 11965 DPE 99 DPPE H12X HAL2 0.090000 1.0080 0 11966 DPE 99 DPPE H12Y HAL2 0.090000 1.0080 0 11967 DPE 99 DPPE C313 CTL2 -0.180000 12.0110 0 11968 DPE 99 DPPE H13X HAL2 0.090000 1.0080 0 11969 DPE 99 DPPE H13Y HAL2 0.090000 1.0080 0 11970 DPE 99 DPPE C314 CTL2 -0.180000 12.0110 0 11971 DPE 99 DPPE H14X HAL2 0.090000 1.0080 0 11972 DPE 99 DPPE H14Y HAL2 0.090000 1.0080 0 11973 DPE 99 DPPE C315 CTL2 -0.180000 12.0110 0 11974 DPE 99 DPPE H15X HAL2 0.090000 1.0080 0 11975 DPE 99 DPPE H15Y HAL2 0.090000 1.0080 0 11976 DPE 99 DPPE C316 CTL3 -0.270000 12.0110 0 11977 DPE 99 DPPE H16X HAL3 0.090000 1.0080 0 11978 DPE 99 DPPE H16Y HAL3 0.090000 1.0080 0 11979 DPE 99 DPPE H16Z HAL3 0.090000 1.0080 0 11980 DPE 100 DPPE N NH3L -0.300000 14.0070 0 11981 DPE 100 DPPE HN1 HCL 0.330000 1.0080 0 11982 DPE 100 DPPE HN2 HCL 0.330000 1.0080 0 11983 DPE 100 DPPE HN3 HCL 0.330000 1.0080 0 11984 DPE 100 DPPE C12 CTL2 0.130000 12.0110 0 11985 DPE 100 DPPE H12A HAL2 0.090000 1.0080 0 11986 DPE 100 DPPE H12B HAL2 0.090000 1.0080 0 11987 DPE 100 DPPE C11 CTL2 -0.080000 12.0110 0 11988 DPE 100 DPPE H11A HAL2 0.090000 1.0080 0 11989 DPE 100 DPPE H11B HAL2 0.090000 1.0080 0 11990 DPE 100 DPPE P PL 1.500000 30.9740 0 11991 DPE 100 DPPE O13 O2L -0.780000 15.9994 0 11992 DPE 100 DPPE O14 O2L -0.780000 15.9994 0 11993 DPE 100 DPPE O11 OSL -0.570000 15.9994 0 11994 DPE 100 DPPE O12 OSL -0.570000 15.9994 0 11995 DPE 100 DPPE C1 CTL2 -0.080000 12.0110 0 11996 DPE 100 DPPE HA HAL2 0.090000 1.0080 0 11997 DPE 100 DPPE HB HAL2 0.090000 1.0080 0 11998 DPE 100 DPPE C2 CTL1 0.040000 12.0110 0 11999 DPE 100 DPPE HS HAL1 0.090000 1.0080 0 12000 DPE 100 DPPE O21 OSL -0.340000 15.9994 0 12001 DPE 100 DPPE C21 CL 0.630000 12.0110 0 12002 DPE 100 DPPE O22 OBL -0.520000 15.9994 0 12003 DPE 100 DPPE C22 CTL2 -0.080000 12.0110 0 12004 DPE 100 DPPE H2R HAL2 0.090000 1.0080 0 12005 DPE 100 DPPE H2S HAL2 0.090000 1.0080 0 12006 DPE 100 DPPE C3 CTL2 -0.050000 12.0110 0 12007 DPE 100 DPPE HX HAL2 0.090000 1.0080 0 12008 DPE 100 DPPE HY HAL2 0.090000 1.0080 0 12009 DPE 100 DPPE O31 OSL -0.340000 15.9994 0 12010 DPE 100 DPPE C31 CL 0.630000 12.0110 0 12011 DPE 100 DPPE O32 OBL -0.520000 15.9994 0 12012 DPE 100 DPPE C32 CTL2 -0.080000 12.0110 0 12013 DPE 100 DPPE H2X HAL2 0.090000 1.0080 0 12014 DPE 100 DPPE H2Y HAL2 0.090000 1.0080 0 12015 DPE 100 DPPE C23 CTL2 -0.180000 12.0110 0 12016 DPE 100 DPPE H3R HAL2 0.090000 1.0080 0 12017 DPE 100 DPPE H3S HAL2 0.090000 1.0080 0 12018 DPE 100 DPPE C24 CTL2 -0.180000 12.0110 0 12019 DPE 100 DPPE H4R HAL2 0.090000 1.0080 0 12020 DPE 100 DPPE H4S HAL2 0.090000 1.0080 0 12021 DPE 100 DPPE C25 CTL2 -0.180000 12.0110 0 12022 DPE 100 DPPE H5R HAL2 0.090000 1.0080 0 12023 DPE 100 DPPE H5S HAL2 0.090000 1.0080 0 12024 DPE 100 DPPE C26 CTL2 -0.180000 12.0110 0 12025 DPE 100 DPPE H6R HAL2 0.090000 1.0080 0 12026 DPE 100 DPPE H6S HAL2 0.090000 1.0080 0 12027 DPE 100 DPPE C27 CTL2 -0.180000 12.0110 0 12028 DPE 100 DPPE H7R HAL2 0.090000 1.0080 0 12029 DPE 100 DPPE H7S HAL2 0.090000 1.0080 0 12030 DPE 100 DPPE C28 CTL2 -0.180000 12.0110 0 12031 DPE 100 DPPE H8R HAL2 0.090000 1.0080 0 12032 DPE 100 DPPE H8S HAL2 0.090000 1.0080 0 12033 DPE 100 DPPE C29 CTL2 -0.180000 12.0110 0 12034 DPE 100 DPPE H9R HAL2 0.090000 1.0080 0 12035 DPE 100 DPPE H9S HAL2 0.090000 1.0080 0 12036 DPE 100 DPPE C210 CTL2 -0.180000 12.0110 0 12037 DPE 100 DPPE H10R HAL2 0.090000 1.0080 0 12038 DPE 100 DPPE H10S HAL2 0.090000 1.0080 0 12039 DPE 100 DPPE C211 CTL2 -0.180000 12.0110 0 12040 DPE 100 DPPE H11R HAL2 0.090000 1.0080 0 12041 DPE 100 DPPE H11S HAL2 0.090000 1.0080 0 12042 DPE 100 DPPE C212 CTL2 -0.180000 12.0110 0 12043 DPE 100 DPPE H12R HAL2 0.090000 1.0080 0 12044 DPE 100 DPPE H12S HAL2 0.090000 1.0080 0 12045 DPE 100 DPPE C213 CTL2 -0.180000 12.0110 0 12046 DPE 100 DPPE H13R HAL2 0.090000 1.0080 0 12047 DPE 100 DPPE H13S HAL2 0.090000 1.0080 0 12048 DPE 100 DPPE C214 CTL2 -0.180000 12.0110 0 12049 DPE 100 DPPE H14R HAL2 0.090000 1.0080 0 12050 DPE 100 DPPE H14S HAL2 0.090000 1.0080 0 12051 DPE 100 DPPE C215 CTL2 -0.180000 12.0110 0 12052 DPE 100 DPPE H15R HAL2 0.090000 1.0080 0 12053 DPE 100 DPPE H15S HAL2 0.090000 1.0080 0 12054 DPE 100 DPPE C216 CTL3 -0.270000 12.0110 0 12055 DPE 100 DPPE H16R HAL3 0.090000 1.0080 0 12056 DPE 100 DPPE H16S HAL3 0.090000 1.0080 0 12057 DPE 100 DPPE H16T HAL3 0.090000 1.0080 0 12058 DPE 100 DPPE C33 CTL2 -0.180000 12.0110 0 12059 DPE 100 DPPE H3X HAL2 0.090000 1.0080 0 12060 DPE 100 DPPE H3Y HAL2 0.090000 1.0080 0 12061 DPE 100 DPPE C34 CTL2 -0.180000 12.0110 0 12062 DPE 100 DPPE H4X HAL2 0.090000 1.0080 0 12063 DPE 100 DPPE H4Y HAL2 0.090000 1.0080 0 12064 DPE 100 DPPE C35 CTL2 -0.180000 12.0110 0 12065 DPE 100 DPPE H5X HAL2 0.090000 1.0080 0 12066 DPE 100 DPPE H5Y HAL2 0.090000 1.0080 0 12067 DPE 100 DPPE C36 CTL2 -0.180000 12.0110 0 12068 DPE 100 DPPE H6X HAL2 0.090000 1.0080 0 12069 DPE 100 DPPE H6Y HAL2 0.090000 1.0080 0 12070 DPE 100 DPPE C37 CTL2 -0.180000 12.0110 0 12071 DPE 100 DPPE H7X HAL2 0.090000 1.0080 0 12072 DPE 100 DPPE H7Y HAL2 0.090000 1.0080 0 12073 DPE 100 DPPE C38 CTL2 -0.180000 12.0110 0 12074 DPE 100 DPPE H8X HAL2 0.090000 1.0080 0 12075 DPE 100 DPPE H8Y HAL2 0.090000 1.0080 0 12076 DPE 100 DPPE C39 CTL2 -0.180000 12.0110 0 12077 DPE 100 DPPE H9X HAL2 0.090000 1.0080 0 12078 DPE 100 DPPE H9Y HAL2 0.090000 1.0080 0 12079 DPE 100 DPPE C310 CTL2 -0.180000 12.0110 0 12080 DPE 100 DPPE H10X HAL2 0.090000 1.0080 0 12081 DPE 100 DPPE H10Y HAL2 0.090000 1.0080 0 12082 DPE 100 DPPE C311 CTL2 -0.180000 12.0110 0 12083 DPE 100 DPPE H11X HAL2 0.090000 1.0080 0 12084 DPE 100 DPPE H11Y HAL2 0.090000 1.0080 0 12085 DPE 100 DPPE C312 CTL2 -0.180000 12.0110 0 12086 DPE 100 DPPE H12X HAL2 0.090000 1.0080 0 12087 DPE 100 DPPE H12Y HAL2 0.090000 1.0080 0 12088 DPE 100 DPPE C313 CTL2 -0.180000 12.0110 0 12089 DPE 100 DPPE H13X HAL2 0.090000 1.0080 0 12090 DPE 100 DPPE H13Y HAL2 0.090000 1.0080 0 12091 DPE 100 DPPE C314 CTL2 -0.180000 12.0110 0 12092 DPE 100 DPPE H14X HAL2 0.090000 1.0080 0 12093 DPE 100 DPPE H14Y HAL2 0.090000 1.0080 0 12094 DPE 100 DPPE C315 CTL2 -0.180000 12.0110 0 12095 DPE 100 DPPE H15X HAL2 0.090000 1.0080 0 12096 DPE 100 DPPE H15Y HAL2 0.090000 1.0080 0 12097 DPE 100 DPPE C316 CTL3 -0.270000 12.0110 0 12098 DPE 100 DPPE H16X HAL3 0.090000 1.0080 0 12099 DPE 100 DPPE H16Y HAL3 0.090000 1.0080 0 12100 DPE 100 DPPE H16Z HAL3 0.090000 1.0080 0 12101 DPE 101 DPPE N NH3L -0.300000 14.0070 0 12102 DPE 101 DPPE HN1 HCL 0.330000 1.0080 0 12103 DPE 101 DPPE HN2 HCL 0.330000 1.0080 0 12104 DPE 101 DPPE HN3 HCL 0.330000 1.0080 0 12105 DPE 101 DPPE C12 CTL2 0.130000 12.0110 0 12106 DPE 101 DPPE H12A HAL2 0.090000 1.0080 0 12107 DPE 101 DPPE H12B HAL2 0.090000 1.0080 0 12108 DPE 101 DPPE C11 CTL2 -0.080000 12.0110 0 12109 DPE 101 DPPE H11A HAL2 0.090000 1.0080 0 12110 DPE 101 DPPE H11B HAL2 0.090000 1.0080 0 12111 DPE 101 DPPE P PL 1.500000 30.9740 0 12112 DPE 101 DPPE O13 O2L -0.780000 15.9994 0 12113 DPE 101 DPPE O14 O2L -0.780000 15.9994 0 12114 DPE 101 DPPE O11 OSL -0.570000 15.9994 0 12115 DPE 101 DPPE O12 OSL -0.570000 15.9994 0 12116 DPE 101 DPPE C1 CTL2 -0.080000 12.0110 0 12117 DPE 101 DPPE HA HAL2 0.090000 1.0080 0 12118 DPE 101 DPPE HB HAL2 0.090000 1.0080 0 12119 DPE 101 DPPE C2 CTL1 0.040000 12.0110 0 12120 DPE 101 DPPE HS HAL1 0.090000 1.0080 0 12121 DPE 101 DPPE O21 OSL -0.340000 15.9994 0 12122 DPE 101 DPPE C21 CL 0.630000 12.0110 0 12123 DPE 101 DPPE O22 OBL -0.520000 15.9994 0 12124 DPE 101 DPPE C22 CTL2 -0.080000 12.0110 0 12125 DPE 101 DPPE H2R HAL2 0.090000 1.0080 0 12126 DPE 101 DPPE H2S HAL2 0.090000 1.0080 0 12127 DPE 101 DPPE C3 CTL2 -0.050000 12.0110 0 12128 DPE 101 DPPE HX HAL2 0.090000 1.0080 0 12129 DPE 101 DPPE HY HAL2 0.090000 1.0080 0 12130 DPE 101 DPPE O31 OSL -0.340000 15.9994 0 12131 DPE 101 DPPE C31 CL 0.630000 12.0110 0 12132 DPE 101 DPPE O32 OBL -0.520000 15.9994 0 12133 DPE 101 DPPE C32 CTL2 -0.080000 12.0110 0 12134 DPE 101 DPPE H2X HAL2 0.090000 1.0080 0 12135 DPE 101 DPPE H2Y HAL2 0.090000 1.0080 0 12136 DPE 101 DPPE C23 CTL2 -0.180000 12.0110 0 12137 DPE 101 DPPE H3R HAL2 0.090000 1.0080 0 12138 DPE 101 DPPE H3S HAL2 0.090000 1.0080 0 12139 DPE 101 DPPE C24 CTL2 -0.180000 12.0110 0 12140 DPE 101 DPPE H4R HAL2 0.090000 1.0080 0 12141 DPE 101 DPPE H4S HAL2 0.090000 1.0080 0 12142 DPE 101 DPPE C25 CTL2 -0.180000 12.0110 0 12143 DPE 101 DPPE H5R HAL2 0.090000 1.0080 0 12144 DPE 101 DPPE H5S HAL2 0.090000 1.0080 0 12145 DPE 101 DPPE C26 CTL2 -0.180000 12.0110 0 12146 DPE 101 DPPE H6R HAL2 0.090000 1.0080 0 12147 DPE 101 DPPE H6S HAL2 0.090000 1.0080 0 12148 DPE 101 DPPE C27 CTL2 -0.180000 12.0110 0 12149 DPE 101 DPPE H7R HAL2 0.090000 1.0080 0 12150 DPE 101 DPPE H7S HAL2 0.090000 1.0080 0 12151 DPE 101 DPPE C28 CTL2 -0.180000 12.0110 0 12152 DPE 101 DPPE H8R HAL2 0.090000 1.0080 0 12153 DPE 101 DPPE H8S HAL2 0.090000 1.0080 0 12154 DPE 101 DPPE C29 CTL2 -0.180000 12.0110 0 12155 DPE 101 DPPE H9R HAL2 0.090000 1.0080 0 12156 DPE 101 DPPE H9S HAL2 0.090000 1.0080 0 12157 DPE 101 DPPE C210 CTL2 -0.180000 12.0110 0 12158 DPE 101 DPPE H10R HAL2 0.090000 1.0080 0 12159 DPE 101 DPPE H10S HAL2 0.090000 1.0080 0 12160 DPE 101 DPPE C211 CTL2 -0.180000 12.0110 0 12161 DPE 101 DPPE H11R HAL2 0.090000 1.0080 0 12162 DPE 101 DPPE H11S HAL2 0.090000 1.0080 0 12163 DPE 101 DPPE C212 CTL2 -0.180000 12.0110 0 12164 DPE 101 DPPE H12R HAL2 0.090000 1.0080 0 12165 DPE 101 DPPE H12S HAL2 0.090000 1.0080 0 12166 DPE 101 DPPE C213 CTL2 -0.180000 12.0110 0 12167 DPE 101 DPPE H13R HAL2 0.090000 1.0080 0 12168 DPE 101 DPPE H13S HAL2 0.090000 1.0080 0 12169 DPE 101 DPPE C214 CTL2 -0.180000 12.0110 0 12170 DPE 101 DPPE H14R HAL2 0.090000 1.0080 0 12171 DPE 101 DPPE H14S HAL2 0.090000 1.0080 0 12172 DPE 101 DPPE C215 CTL2 -0.180000 12.0110 0 12173 DPE 101 DPPE H15R HAL2 0.090000 1.0080 0 12174 DPE 101 DPPE H15S HAL2 0.090000 1.0080 0 12175 DPE 101 DPPE C216 CTL3 -0.270000 12.0110 0 12176 DPE 101 DPPE H16R HAL3 0.090000 1.0080 0 12177 DPE 101 DPPE H16S HAL3 0.090000 1.0080 0 12178 DPE 101 DPPE H16T HAL3 0.090000 1.0080 0 12179 DPE 101 DPPE C33 CTL2 -0.180000 12.0110 0 12180 DPE 101 DPPE H3X HAL2 0.090000 1.0080 0 12181 DPE 101 DPPE H3Y HAL2 0.090000 1.0080 0 12182 DPE 101 DPPE C34 CTL2 -0.180000 12.0110 0 12183 DPE 101 DPPE H4X HAL2 0.090000 1.0080 0 12184 DPE 101 DPPE H4Y HAL2 0.090000 1.0080 0 12185 DPE 101 DPPE C35 CTL2 -0.180000 12.0110 0 12186 DPE 101 DPPE H5X HAL2 0.090000 1.0080 0 12187 DPE 101 DPPE H5Y HAL2 0.090000 1.0080 0 12188 DPE 101 DPPE C36 CTL2 -0.180000 12.0110 0 12189 DPE 101 DPPE H6X HAL2 0.090000 1.0080 0 12190 DPE 101 DPPE H6Y HAL2 0.090000 1.0080 0 12191 DPE 101 DPPE C37 CTL2 -0.180000 12.0110 0 12192 DPE 101 DPPE H7X HAL2 0.090000 1.0080 0 12193 DPE 101 DPPE H7Y HAL2 0.090000 1.0080 0 12194 DPE 101 DPPE C38 CTL2 -0.180000 12.0110 0 12195 DPE 101 DPPE H8X HAL2 0.090000 1.0080 0 12196 DPE 101 DPPE H8Y HAL2 0.090000 1.0080 0 12197 DPE 101 DPPE C39 CTL2 -0.180000 12.0110 0 12198 DPE 101 DPPE H9X HAL2 0.090000 1.0080 0 12199 DPE 101 DPPE H9Y HAL2 0.090000 1.0080 0 12200 DPE 101 DPPE C310 CTL2 -0.180000 12.0110 0 12201 DPE 101 DPPE H10X HAL2 0.090000 1.0080 0 12202 DPE 101 DPPE H10Y HAL2 0.090000 1.0080 0 12203 DPE 101 DPPE C311 CTL2 -0.180000 12.0110 0 12204 DPE 101 DPPE H11X HAL2 0.090000 1.0080 0 12205 DPE 101 DPPE H11Y HAL2 0.090000 1.0080 0 12206 DPE 101 DPPE C312 CTL2 -0.180000 12.0110 0 12207 DPE 101 DPPE H12X HAL2 0.090000 1.0080 0 12208 DPE 101 DPPE H12Y HAL2 0.090000 1.0080 0 12209 DPE 101 DPPE C313 CTL2 -0.180000 12.0110 0 12210 DPE 101 DPPE H13X HAL2 0.090000 1.0080 0 12211 DPE 101 DPPE H13Y HAL2 0.090000 1.0080 0 12212 DPE 101 DPPE C314 CTL2 -0.180000 12.0110 0 12213 DPE 101 DPPE H14X HAL2 0.090000 1.0080 0 12214 DPE 101 DPPE H14Y HAL2 0.090000 1.0080 0 12215 DPE 101 DPPE C315 CTL2 -0.180000 12.0110 0 12216 DPE 101 DPPE H15X HAL2 0.090000 1.0080 0 12217 DPE 101 DPPE H15Y HAL2 0.090000 1.0080 0 12218 DPE 101 DPPE C316 CTL3 -0.270000 12.0110 0 12219 DPE 101 DPPE H16X HAL3 0.090000 1.0080 0 12220 DPE 101 DPPE H16Y HAL3 0.090000 1.0080 0 12221 DPE 101 DPPE H16Z HAL3 0.090000 1.0080 0 12222 DPE 102 DPPE N NH3L -0.300000 14.0070 0 12223 DPE 102 DPPE HN1 HCL 0.330000 1.0080 0 12224 DPE 102 DPPE HN2 HCL 0.330000 1.0080 0 12225 DPE 102 DPPE HN3 HCL 0.330000 1.0080 0 12226 DPE 102 DPPE C12 CTL2 0.130000 12.0110 0 12227 DPE 102 DPPE H12A HAL2 0.090000 1.0080 0 12228 DPE 102 DPPE H12B HAL2 0.090000 1.0080 0 12229 DPE 102 DPPE C11 CTL2 -0.080000 12.0110 0 12230 DPE 102 DPPE H11A HAL2 0.090000 1.0080 0 12231 DPE 102 DPPE H11B HAL2 0.090000 1.0080 0 12232 DPE 102 DPPE P PL 1.500000 30.9740 0 12233 DPE 102 DPPE O13 O2L -0.780000 15.9994 0 12234 DPE 102 DPPE O14 O2L -0.780000 15.9994 0 12235 DPE 102 DPPE O11 OSL -0.570000 15.9994 0 12236 DPE 102 DPPE O12 OSL -0.570000 15.9994 0 12237 DPE 102 DPPE C1 CTL2 -0.080000 12.0110 0 12238 DPE 102 DPPE HA HAL2 0.090000 1.0080 0 12239 DPE 102 DPPE HB HAL2 0.090000 1.0080 0 12240 DPE 102 DPPE C2 CTL1 0.040000 12.0110 0 12241 DPE 102 DPPE HS HAL1 0.090000 1.0080 0 12242 DPE 102 DPPE O21 OSL -0.340000 15.9994 0 12243 DPE 102 DPPE C21 CL 0.630000 12.0110 0 12244 DPE 102 DPPE O22 OBL -0.520000 15.9994 0 12245 DPE 102 DPPE C22 CTL2 -0.080000 12.0110 0 12246 DPE 102 DPPE H2R HAL2 0.090000 1.0080 0 12247 DPE 102 DPPE H2S HAL2 0.090000 1.0080 0 12248 DPE 102 DPPE C3 CTL2 -0.050000 12.0110 0 12249 DPE 102 DPPE HX HAL2 0.090000 1.0080 0 12250 DPE 102 DPPE HY HAL2 0.090000 1.0080 0 12251 DPE 102 DPPE O31 OSL -0.340000 15.9994 0 12252 DPE 102 DPPE C31 CL 0.630000 12.0110 0 12253 DPE 102 DPPE O32 OBL -0.520000 15.9994 0 12254 DPE 102 DPPE C32 CTL2 -0.080000 12.0110 0 12255 DPE 102 DPPE H2X HAL2 0.090000 1.0080 0 12256 DPE 102 DPPE H2Y HAL2 0.090000 1.0080 0 12257 DPE 102 DPPE C23 CTL2 -0.180000 12.0110 0 12258 DPE 102 DPPE H3R HAL2 0.090000 1.0080 0 12259 DPE 102 DPPE H3S HAL2 0.090000 1.0080 0 12260 DPE 102 DPPE C24 CTL2 -0.180000 12.0110 0 12261 DPE 102 DPPE H4R HAL2 0.090000 1.0080 0 12262 DPE 102 DPPE H4S HAL2 0.090000 1.0080 0 12263 DPE 102 DPPE C25 CTL2 -0.180000 12.0110 0 12264 DPE 102 DPPE H5R HAL2 0.090000 1.0080 0 12265 DPE 102 DPPE H5S HAL2 0.090000 1.0080 0 12266 DPE 102 DPPE C26 CTL2 -0.180000 12.0110 0 12267 DPE 102 DPPE H6R HAL2 0.090000 1.0080 0 12268 DPE 102 DPPE H6S HAL2 0.090000 1.0080 0 12269 DPE 102 DPPE C27 CTL2 -0.180000 12.0110 0 12270 DPE 102 DPPE H7R HAL2 0.090000 1.0080 0 12271 DPE 102 DPPE H7S HAL2 0.090000 1.0080 0 12272 DPE 102 DPPE C28 CTL2 -0.180000 12.0110 0 12273 DPE 102 DPPE H8R HAL2 0.090000 1.0080 0 12274 DPE 102 DPPE H8S HAL2 0.090000 1.0080 0 12275 DPE 102 DPPE C29 CTL2 -0.180000 12.0110 0 12276 DPE 102 DPPE H9R HAL2 0.090000 1.0080 0 12277 DPE 102 DPPE H9S HAL2 0.090000 1.0080 0 12278 DPE 102 DPPE C210 CTL2 -0.180000 12.0110 0 12279 DPE 102 DPPE H10R HAL2 0.090000 1.0080 0 12280 DPE 102 DPPE H10S HAL2 0.090000 1.0080 0 12281 DPE 102 DPPE C211 CTL2 -0.180000 12.0110 0 12282 DPE 102 DPPE H11R HAL2 0.090000 1.0080 0 12283 DPE 102 DPPE H11S HAL2 0.090000 1.0080 0 12284 DPE 102 DPPE C212 CTL2 -0.180000 12.0110 0 12285 DPE 102 DPPE H12R HAL2 0.090000 1.0080 0 12286 DPE 102 DPPE H12S HAL2 0.090000 1.0080 0 12287 DPE 102 DPPE C213 CTL2 -0.180000 12.0110 0 12288 DPE 102 DPPE H13R HAL2 0.090000 1.0080 0 12289 DPE 102 DPPE H13S HAL2 0.090000 1.0080 0 12290 DPE 102 DPPE C214 CTL2 -0.180000 12.0110 0 12291 DPE 102 DPPE H14R HAL2 0.090000 1.0080 0 12292 DPE 102 DPPE H14S HAL2 0.090000 1.0080 0 12293 DPE 102 DPPE C215 CTL2 -0.180000 12.0110 0 12294 DPE 102 DPPE H15R HAL2 0.090000 1.0080 0 12295 DPE 102 DPPE H15S HAL2 0.090000 1.0080 0 12296 DPE 102 DPPE C216 CTL3 -0.270000 12.0110 0 12297 DPE 102 DPPE H16R HAL3 0.090000 1.0080 0 12298 DPE 102 DPPE H16S HAL3 0.090000 1.0080 0 12299 DPE 102 DPPE H16T HAL3 0.090000 1.0080 0 12300 DPE 102 DPPE C33 CTL2 -0.180000 12.0110 0 12301 DPE 102 DPPE H3X HAL2 0.090000 1.0080 0 12302 DPE 102 DPPE H3Y HAL2 0.090000 1.0080 0 12303 DPE 102 DPPE C34 CTL2 -0.180000 12.0110 0 12304 DPE 102 DPPE H4X HAL2 0.090000 1.0080 0 12305 DPE 102 DPPE H4Y HAL2 0.090000 1.0080 0 12306 DPE 102 DPPE C35 CTL2 -0.180000 12.0110 0 12307 DPE 102 DPPE H5X HAL2 0.090000 1.0080 0 12308 DPE 102 DPPE H5Y HAL2 0.090000 1.0080 0 12309 DPE 102 DPPE C36 CTL2 -0.180000 12.0110 0 12310 DPE 102 DPPE H6X HAL2 0.090000 1.0080 0 12311 DPE 102 DPPE H6Y HAL2 0.090000 1.0080 0 12312 DPE 102 DPPE C37 CTL2 -0.180000 12.0110 0 12313 DPE 102 DPPE H7X HAL2 0.090000 1.0080 0 12314 DPE 102 DPPE H7Y HAL2 0.090000 1.0080 0 12315 DPE 102 DPPE C38 CTL2 -0.180000 12.0110 0 12316 DPE 102 DPPE H8X HAL2 0.090000 1.0080 0 12317 DPE 102 DPPE H8Y HAL2 0.090000 1.0080 0 12318 DPE 102 DPPE C39 CTL2 -0.180000 12.0110 0 12319 DPE 102 DPPE H9X HAL2 0.090000 1.0080 0 12320 DPE 102 DPPE H9Y HAL2 0.090000 1.0080 0 12321 DPE 102 DPPE C310 CTL2 -0.180000 12.0110 0 12322 DPE 102 DPPE H10X HAL2 0.090000 1.0080 0 12323 DPE 102 DPPE H10Y HAL2 0.090000 1.0080 0 12324 DPE 102 DPPE C311 CTL2 -0.180000 12.0110 0 12325 DPE 102 DPPE H11X HAL2 0.090000 1.0080 0 12326 DPE 102 DPPE H11Y HAL2 0.090000 1.0080 0 12327 DPE 102 DPPE C312 CTL2 -0.180000 12.0110 0 12328 DPE 102 DPPE H12X HAL2 0.090000 1.0080 0 12329 DPE 102 DPPE H12Y HAL2 0.090000 1.0080 0 12330 DPE 102 DPPE C313 CTL2 -0.180000 12.0110 0 12331 DPE 102 DPPE H13X HAL2 0.090000 1.0080 0 12332 DPE 102 DPPE H13Y HAL2 0.090000 1.0080 0 12333 DPE 102 DPPE C314 CTL2 -0.180000 12.0110 0 12334 DPE 102 DPPE H14X HAL2 0.090000 1.0080 0 12335 DPE 102 DPPE H14Y HAL2 0.090000 1.0080 0 12336 DPE 102 DPPE C315 CTL2 -0.180000 12.0110 0 12337 DPE 102 DPPE H15X HAL2 0.090000 1.0080 0 12338 DPE 102 DPPE H15Y HAL2 0.090000 1.0080 0 12339 DPE 102 DPPE C316 CTL3 -0.270000 12.0110 0 12340 DPE 102 DPPE H16X HAL3 0.090000 1.0080 0 12341 DPE 102 DPPE H16Y HAL3 0.090000 1.0080 0 12342 DPE 102 DPPE H16Z HAL3 0.090000 1.0080 0 12343 DPE 103 DPPE N NH3L -0.300000 14.0070 0 12344 DPE 103 DPPE HN1 HCL 0.330000 1.0080 0 12345 DPE 103 DPPE HN2 HCL 0.330000 1.0080 0 12346 DPE 103 DPPE HN3 HCL 0.330000 1.0080 0 12347 DPE 103 DPPE C12 CTL2 0.130000 12.0110 0 12348 DPE 103 DPPE H12A HAL2 0.090000 1.0080 0 12349 DPE 103 DPPE H12B HAL2 0.090000 1.0080 0 12350 DPE 103 DPPE C11 CTL2 -0.080000 12.0110 0 12351 DPE 103 DPPE H11A HAL2 0.090000 1.0080 0 12352 DPE 103 DPPE H11B HAL2 0.090000 1.0080 0 12353 DPE 103 DPPE P PL 1.500000 30.9740 0 12354 DPE 103 DPPE O13 O2L -0.780000 15.9994 0 12355 DPE 103 DPPE O14 O2L -0.780000 15.9994 0 12356 DPE 103 DPPE O11 OSL -0.570000 15.9994 0 12357 DPE 103 DPPE O12 OSL -0.570000 15.9994 0 12358 DPE 103 DPPE C1 CTL2 -0.080000 12.0110 0 12359 DPE 103 DPPE HA HAL2 0.090000 1.0080 0 12360 DPE 103 DPPE HB HAL2 0.090000 1.0080 0 12361 DPE 103 DPPE C2 CTL1 0.040000 12.0110 0 12362 DPE 103 DPPE HS HAL1 0.090000 1.0080 0 12363 DPE 103 DPPE O21 OSL -0.340000 15.9994 0 12364 DPE 103 DPPE C21 CL 0.630000 12.0110 0 12365 DPE 103 DPPE O22 OBL -0.520000 15.9994 0 12366 DPE 103 DPPE C22 CTL2 -0.080000 12.0110 0 12367 DPE 103 DPPE H2R HAL2 0.090000 1.0080 0 12368 DPE 103 DPPE H2S HAL2 0.090000 1.0080 0 12369 DPE 103 DPPE C3 CTL2 -0.050000 12.0110 0 12370 DPE 103 DPPE HX HAL2 0.090000 1.0080 0 12371 DPE 103 DPPE HY HAL2 0.090000 1.0080 0 12372 DPE 103 DPPE O31 OSL -0.340000 15.9994 0 12373 DPE 103 DPPE C31 CL 0.630000 12.0110 0 12374 DPE 103 DPPE O32 OBL -0.520000 15.9994 0 12375 DPE 103 DPPE C32 CTL2 -0.080000 12.0110 0 12376 DPE 103 DPPE H2X HAL2 0.090000 1.0080 0 12377 DPE 103 DPPE H2Y HAL2 0.090000 1.0080 0 12378 DPE 103 DPPE C23 CTL2 -0.180000 12.0110 0 12379 DPE 103 DPPE H3R HAL2 0.090000 1.0080 0 12380 DPE 103 DPPE H3S HAL2 0.090000 1.0080 0 12381 DPE 103 DPPE C24 CTL2 -0.180000 12.0110 0 12382 DPE 103 DPPE H4R HAL2 0.090000 1.0080 0 12383 DPE 103 DPPE H4S HAL2 0.090000 1.0080 0 12384 DPE 103 DPPE C25 CTL2 -0.180000 12.0110 0 12385 DPE 103 DPPE H5R HAL2 0.090000 1.0080 0 12386 DPE 103 DPPE H5S HAL2 0.090000 1.0080 0 12387 DPE 103 DPPE C26 CTL2 -0.180000 12.0110 0 12388 DPE 103 DPPE H6R HAL2 0.090000 1.0080 0 12389 DPE 103 DPPE H6S HAL2 0.090000 1.0080 0 12390 DPE 103 DPPE C27 CTL2 -0.180000 12.0110 0 12391 DPE 103 DPPE H7R HAL2 0.090000 1.0080 0 12392 DPE 103 DPPE H7S HAL2 0.090000 1.0080 0 12393 DPE 103 DPPE C28 CTL2 -0.180000 12.0110 0 12394 DPE 103 DPPE H8R HAL2 0.090000 1.0080 0 12395 DPE 103 DPPE H8S HAL2 0.090000 1.0080 0 12396 DPE 103 DPPE C29 CTL2 -0.180000 12.0110 0 12397 DPE 103 DPPE H9R HAL2 0.090000 1.0080 0 12398 DPE 103 DPPE H9S HAL2 0.090000 1.0080 0 12399 DPE 103 DPPE C210 CTL2 -0.180000 12.0110 0 12400 DPE 103 DPPE H10R HAL2 0.090000 1.0080 0 12401 DPE 103 DPPE H10S HAL2 0.090000 1.0080 0 12402 DPE 103 DPPE C211 CTL2 -0.180000 12.0110 0 12403 DPE 103 DPPE H11R HAL2 0.090000 1.0080 0 12404 DPE 103 DPPE H11S HAL2 0.090000 1.0080 0 12405 DPE 103 DPPE C212 CTL2 -0.180000 12.0110 0 12406 DPE 103 DPPE H12R HAL2 0.090000 1.0080 0 12407 DPE 103 DPPE H12S HAL2 0.090000 1.0080 0 12408 DPE 103 DPPE C213 CTL2 -0.180000 12.0110 0 12409 DPE 103 DPPE H13R HAL2 0.090000 1.0080 0 12410 DPE 103 DPPE H13S HAL2 0.090000 1.0080 0 12411 DPE 103 DPPE C214 CTL2 -0.180000 12.0110 0 12412 DPE 103 DPPE H14R HAL2 0.090000 1.0080 0 12413 DPE 103 DPPE H14S HAL2 0.090000 1.0080 0 12414 DPE 103 DPPE C215 CTL2 -0.180000 12.0110 0 12415 DPE 103 DPPE H15R HAL2 0.090000 1.0080 0 12416 DPE 103 DPPE H15S HAL2 0.090000 1.0080 0 12417 DPE 103 DPPE C216 CTL3 -0.270000 12.0110 0 12418 DPE 103 DPPE H16R HAL3 0.090000 1.0080 0 12419 DPE 103 DPPE H16S HAL3 0.090000 1.0080 0 12420 DPE 103 DPPE H16T HAL3 0.090000 1.0080 0 12421 DPE 103 DPPE C33 CTL2 -0.180000 12.0110 0 12422 DPE 103 DPPE H3X HAL2 0.090000 1.0080 0 12423 DPE 103 DPPE H3Y HAL2 0.090000 1.0080 0 12424 DPE 103 DPPE C34 CTL2 -0.180000 12.0110 0 12425 DPE 103 DPPE H4X HAL2 0.090000 1.0080 0 12426 DPE 103 DPPE H4Y HAL2 0.090000 1.0080 0 12427 DPE 103 DPPE C35 CTL2 -0.180000 12.0110 0 12428 DPE 103 DPPE H5X HAL2 0.090000 1.0080 0 12429 DPE 103 DPPE H5Y HAL2 0.090000 1.0080 0 12430 DPE 103 DPPE C36 CTL2 -0.180000 12.0110 0 12431 DPE 103 DPPE H6X HAL2 0.090000 1.0080 0 12432 DPE 103 DPPE H6Y HAL2 0.090000 1.0080 0 12433 DPE 103 DPPE C37 CTL2 -0.180000 12.0110 0 12434 DPE 103 DPPE H7X HAL2 0.090000 1.0080 0 12435 DPE 103 DPPE H7Y HAL2 0.090000 1.0080 0 12436 DPE 103 DPPE C38 CTL2 -0.180000 12.0110 0 12437 DPE 103 DPPE H8X HAL2 0.090000 1.0080 0 12438 DPE 103 DPPE H8Y HAL2 0.090000 1.0080 0 12439 DPE 103 DPPE C39 CTL2 -0.180000 12.0110 0 12440 DPE 103 DPPE H9X HAL2 0.090000 1.0080 0 12441 DPE 103 DPPE H9Y HAL2 0.090000 1.0080 0 12442 DPE 103 DPPE C310 CTL2 -0.180000 12.0110 0 12443 DPE 103 DPPE H10X HAL2 0.090000 1.0080 0 12444 DPE 103 DPPE H10Y HAL2 0.090000 1.0080 0 12445 DPE 103 DPPE C311 CTL2 -0.180000 12.0110 0 12446 DPE 103 DPPE H11X HAL2 0.090000 1.0080 0 12447 DPE 103 DPPE H11Y HAL2 0.090000 1.0080 0 12448 DPE 103 DPPE C312 CTL2 -0.180000 12.0110 0 12449 DPE 103 DPPE H12X HAL2 0.090000 1.0080 0 12450 DPE 103 DPPE H12Y HAL2 0.090000 1.0080 0 12451 DPE 103 DPPE C313 CTL2 -0.180000 12.0110 0 12452 DPE 103 DPPE H13X HAL2 0.090000 1.0080 0 12453 DPE 103 DPPE H13Y HAL2 0.090000 1.0080 0 12454 DPE 103 DPPE C314 CTL2 -0.180000 12.0110 0 12455 DPE 103 DPPE H14X HAL2 0.090000 1.0080 0 12456 DPE 103 DPPE H14Y HAL2 0.090000 1.0080 0 12457 DPE 103 DPPE C315 CTL2 -0.180000 12.0110 0 12458 DPE 103 DPPE H15X HAL2 0.090000 1.0080 0 12459 DPE 103 DPPE H15Y HAL2 0.090000 1.0080 0 12460 DPE 103 DPPE C316 CTL3 -0.270000 12.0110 0 12461 DPE 103 DPPE H16X HAL3 0.090000 1.0080 0 12462 DPE 103 DPPE H16Y HAL3 0.090000 1.0080 0 12463 DPE 103 DPPE H16Z HAL3 0.090000 1.0080 0 12464 DPE 104 DPPE N NH3L -0.300000 14.0070 0 12465 DPE 104 DPPE HN1 HCL 0.330000 1.0080 0 12466 DPE 104 DPPE HN2 HCL 0.330000 1.0080 0 12467 DPE 104 DPPE HN3 HCL 0.330000 1.0080 0 12468 DPE 104 DPPE C12 CTL2 0.130000 12.0110 0 12469 DPE 104 DPPE H12A HAL2 0.090000 1.0080 0 12470 DPE 104 DPPE H12B HAL2 0.090000 1.0080 0 12471 DPE 104 DPPE C11 CTL2 -0.080000 12.0110 0 12472 DPE 104 DPPE H11A HAL2 0.090000 1.0080 0 12473 DPE 104 DPPE H11B HAL2 0.090000 1.0080 0 12474 DPE 104 DPPE P PL 1.500000 30.9740 0 12475 DPE 104 DPPE O13 O2L -0.780000 15.9994 0 12476 DPE 104 DPPE O14 O2L -0.780000 15.9994 0 12477 DPE 104 DPPE O11 OSL -0.570000 15.9994 0 12478 DPE 104 DPPE O12 OSL -0.570000 15.9994 0 12479 DPE 104 DPPE C1 CTL2 -0.080000 12.0110 0 12480 DPE 104 DPPE HA HAL2 0.090000 1.0080 0 12481 DPE 104 DPPE HB HAL2 0.090000 1.0080 0 12482 DPE 104 DPPE C2 CTL1 0.040000 12.0110 0 12483 DPE 104 DPPE HS HAL1 0.090000 1.0080 0 12484 DPE 104 DPPE O21 OSL -0.340000 15.9994 0 12485 DPE 104 DPPE C21 CL 0.630000 12.0110 0 12486 DPE 104 DPPE O22 OBL -0.520000 15.9994 0 12487 DPE 104 DPPE C22 CTL2 -0.080000 12.0110 0 12488 DPE 104 DPPE H2R HAL2 0.090000 1.0080 0 12489 DPE 104 DPPE H2S HAL2 0.090000 1.0080 0 12490 DPE 104 DPPE C3 CTL2 -0.050000 12.0110 0 12491 DPE 104 DPPE HX HAL2 0.090000 1.0080 0 12492 DPE 104 DPPE HY HAL2 0.090000 1.0080 0 12493 DPE 104 DPPE O31 OSL -0.340000 15.9994 0 12494 DPE 104 DPPE C31 CL 0.630000 12.0110 0 12495 DPE 104 DPPE O32 OBL -0.520000 15.9994 0 12496 DPE 104 DPPE C32 CTL2 -0.080000 12.0110 0 12497 DPE 104 DPPE H2X HAL2 0.090000 1.0080 0 12498 DPE 104 DPPE H2Y HAL2 0.090000 1.0080 0 12499 DPE 104 DPPE C23 CTL2 -0.180000 12.0110 0 12500 DPE 104 DPPE H3R HAL2 0.090000 1.0080 0 12501 DPE 104 DPPE H3S HAL2 0.090000 1.0080 0 12502 DPE 104 DPPE C24 CTL2 -0.180000 12.0110 0 12503 DPE 104 DPPE H4R HAL2 0.090000 1.0080 0 12504 DPE 104 DPPE H4S HAL2 0.090000 1.0080 0 12505 DPE 104 DPPE C25 CTL2 -0.180000 12.0110 0 12506 DPE 104 DPPE H5R HAL2 0.090000 1.0080 0 12507 DPE 104 DPPE H5S HAL2 0.090000 1.0080 0 12508 DPE 104 DPPE C26 CTL2 -0.180000 12.0110 0 12509 DPE 104 DPPE H6R HAL2 0.090000 1.0080 0 12510 DPE 104 DPPE H6S HAL2 0.090000 1.0080 0 12511 DPE 104 DPPE C27 CTL2 -0.180000 12.0110 0 12512 DPE 104 DPPE H7R HAL2 0.090000 1.0080 0 12513 DPE 104 DPPE H7S HAL2 0.090000 1.0080 0 12514 DPE 104 DPPE C28 CTL2 -0.180000 12.0110 0 12515 DPE 104 DPPE H8R HAL2 0.090000 1.0080 0 12516 DPE 104 DPPE H8S HAL2 0.090000 1.0080 0 12517 DPE 104 DPPE C29 CTL2 -0.180000 12.0110 0 12518 DPE 104 DPPE H9R HAL2 0.090000 1.0080 0 12519 DPE 104 DPPE H9S HAL2 0.090000 1.0080 0 12520 DPE 104 DPPE C210 CTL2 -0.180000 12.0110 0 12521 DPE 104 DPPE H10R HAL2 0.090000 1.0080 0 12522 DPE 104 DPPE H10S HAL2 0.090000 1.0080 0 12523 DPE 104 DPPE C211 CTL2 -0.180000 12.0110 0 12524 DPE 104 DPPE H11R HAL2 0.090000 1.0080 0 12525 DPE 104 DPPE H11S HAL2 0.090000 1.0080 0 12526 DPE 104 DPPE C212 CTL2 -0.180000 12.0110 0 12527 DPE 104 DPPE H12R HAL2 0.090000 1.0080 0 12528 DPE 104 DPPE H12S HAL2 0.090000 1.0080 0 12529 DPE 104 DPPE C213 CTL2 -0.180000 12.0110 0 12530 DPE 104 DPPE H13R HAL2 0.090000 1.0080 0 12531 DPE 104 DPPE H13S HAL2 0.090000 1.0080 0 12532 DPE 104 DPPE C214 CTL2 -0.180000 12.0110 0 12533 DPE 104 DPPE H14R HAL2 0.090000 1.0080 0 12534 DPE 104 DPPE H14S HAL2 0.090000 1.0080 0 12535 DPE 104 DPPE C215 CTL2 -0.180000 12.0110 0 12536 DPE 104 DPPE H15R HAL2 0.090000 1.0080 0 12537 DPE 104 DPPE H15S HAL2 0.090000 1.0080 0 12538 DPE 104 DPPE C216 CTL3 -0.270000 12.0110 0 12539 DPE 104 DPPE H16R HAL3 0.090000 1.0080 0 12540 DPE 104 DPPE H16S HAL3 0.090000 1.0080 0 12541 DPE 104 DPPE H16T HAL3 0.090000 1.0080 0 12542 DPE 104 DPPE C33 CTL2 -0.180000 12.0110 0 12543 DPE 104 DPPE H3X HAL2 0.090000 1.0080 0 12544 DPE 104 DPPE H3Y HAL2 0.090000 1.0080 0 12545 DPE 104 DPPE C34 CTL2 -0.180000 12.0110 0 12546 DPE 104 DPPE H4X HAL2 0.090000 1.0080 0 12547 DPE 104 DPPE H4Y HAL2 0.090000 1.0080 0 12548 DPE 104 DPPE C35 CTL2 -0.180000 12.0110 0 12549 DPE 104 DPPE H5X HAL2 0.090000 1.0080 0 12550 DPE 104 DPPE H5Y HAL2 0.090000 1.0080 0 12551 DPE 104 DPPE C36 CTL2 -0.180000 12.0110 0 12552 DPE 104 DPPE H6X HAL2 0.090000 1.0080 0 12553 DPE 104 DPPE H6Y HAL2 0.090000 1.0080 0 12554 DPE 104 DPPE C37 CTL2 -0.180000 12.0110 0 12555 DPE 104 DPPE H7X HAL2 0.090000 1.0080 0 12556 DPE 104 DPPE H7Y HAL2 0.090000 1.0080 0 12557 DPE 104 DPPE C38 CTL2 -0.180000 12.0110 0 12558 DPE 104 DPPE H8X HAL2 0.090000 1.0080 0 12559 DPE 104 DPPE H8Y HAL2 0.090000 1.0080 0 12560 DPE 104 DPPE C39 CTL2 -0.180000 12.0110 0 12561 DPE 104 DPPE H9X HAL2 0.090000 1.0080 0 12562 DPE 104 DPPE H9Y HAL2 0.090000 1.0080 0 12563 DPE 104 DPPE C310 CTL2 -0.180000 12.0110 0 12564 DPE 104 DPPE H10X HAL2 0.090000 1.0080 0 12565 DPE 104 DPPE H10Y HAL2 0.090000 1.0080 0 12566 DPE 104 DPPE C311 CTL2 -0.180000 12.0110 0 12567 DPE 104 DPPE H11X HAL2 0.090000 1.0080 0 12568 DPE 104 DPPE H11Y HAL2 0.090000 1.0080 0 12569 DPE 104 DPPE C312 CTL2 -0.180000 12.0110 0 12570 DPE 104 DPPE H12X HAL2 0.090000 1.0080 0 12571 DPE 104 DPPE H12Y HAL2 0.090000 1.0080 0 12572 DPE 104 DPPE C313 CTL2 -0.180000 12.0110 0 12573 DPE 104 DPPE H13X HAL2 0.090000 1.0080 0 12574 DPE 104 DPPE H13Y HAL2 0.090000 1.0080 0 12575 DPE 104 DPPE C314 CTL2 -0.180000 12.0110 0 12576 DPE 104 DPPE H14X HAL2 0.090000 1.0080 0 12577 DPE 104 DPPE H14Y HAL2 0.090000 1.0080 0 12578 DPE 104 DPPE C315 CTL2 -0.180000 12.0110 0 12579 DPE 104 DPPE H15X HAL2 0.090000 1.0080 0 12580 DPE 104 DPPE H15Y HAL2 0.090000 1.0080 0 12581 DPE 104 DPPE C316 CTL3 -0.270000 12.0110 0 12582 DPE 104 DPPE H16X HAL3 0.090000 1.0080 0 12583 DPE 104 DPPE H16Y HAL3 0.090000 1.0080 0 12584 DPE 104 DPPE H16Z HAL3 0.090000 1.0080 0 12585 DPE 105 DPPE N NH3L -0.300000 14.0070 0 12586 DPE 105 DPPE HN1 HCL 0.330000 1.0080 0 12587 DPE 105 DPPE HN2 HCL 0.330000 1.0080 0 12588 DPE 105 DPPE HN3 HCL 0.330000 1.0080 0 12589 DPE 105 DPPE C12 CTL2 0.130000 12.0110 0 12590 DPE 105 DPPE H12A HAL2 0.090000 1.0080 0 12591 DPE 105 DPPE H12B HAL2 0.090000 1.0080 0 12592 DPE 105 DPPE C11 CTL2 -0.080000 12.0110 0 12593 DPE 105 DPPE H11A HAL2 0.090000 1.0080 0 12594 DPE 105 DPPE H11B HAL2 0.090000 1.0080 0 12595 DPE 105 DPPE P PL 1.500000 30.9740 0 12596 DPE 105 DPPE O13 O2L -0.780000 15.9994 0 12597 DPE 105 DPPE O14 O2L -0.780000 15.9994 0 12598 DPE 105 DPPE O11 OSL -0.570000 15.9994 0 12599 DPE 105 DPPE O12 OSL -0.570000 15.9994 0 12600 DPE 105 DPPE C1 CTL2 -0.080000 12.0110 0 12601 DPE 105 DPPE HA HAL2 0.090000 1.0080 0 12602 DPE 105 DPPE HB HAL2 0.090000 1.0080 0 12603 DPE 105 DPPE C2 CTL1 0.040000 12.0110 0 12604 DPE 105 DPPE HS HAL1 0.090000 1.0080 0 12605 DPE 105 DPPE O21 OSL -0.340000 15.9994 0 12606 DPE 105 DPPE C21 CL 0.630000 12.0110 0 12607 DPE 105 DPPE O22 OBL -0.520000 15.9994 0 12608 DPE 105 DPPE C22 CTL2 -0.080000 12.0110 0 12609 DPE 105 DPPE H2R HAL2 0.090000 1.0080 0 12610 DPE 105 DPPE H2S HAL2 0.090000 1.0080 0 12611 DPE 105 DPPE C3 CTL2 -0.050000 12.0110 0 12612 DPE 105 DPPE HX HAL2 0.090000 1.0080 0 12613 DPE 105 DPPE HY HAL2 0.090000 1.0080 0 12614 DPE 105 DPPE O31 OSL -0.340000 15.9994 0 12615 DPE 105 DPPE C31 CL 0.630000 12.0110 0 12616 DPE 105 DPPE O32 OBL -0.520000 15.9994 0 12617 DPE 105 DPPE C32 CTL2 -0.080000 12.0110 0 12618 DPE 105 DPPE H2X HAL2 0.090000 1.0080 0 12619 DPE 105 DPPE H2Y HAL2 0.090000 1.0080 0 12620 DPE 105 DPPE C23 CTL2 -0.180000 12.0110 0 12621 DPE 105 DPPE H3R HAL2 0.090000 1.0080 0 12622 DPE 105 DPPE H3S HAL2 0.090000 1.0080 0 12623 DPE 105 DPPE C24 CTL2 -0.180000 12.0110 0 12624 DPE 105 DPPE H4R HAL2 0.090000 1.0080 0 12625 DPE 105 DPPE H4S HAL2 0.090000 1.0080 0 12626 DPE 105 DPPE C25 CTL2 -0.180000 12.0110 0 12627 DPE 105 DPPE H5R HAL2 0.090000 1.0080 0 12628 DPE 105 DPPE H5S HAL2 0.090000 1.0080 0 12629 DPE 105 DPPE C26 CTL2 -0.180000 12.0110 0 12630 DPE 105 DPPE H6R HAL2 0.090000 1.0080 0 12631 DPE 105 DPPE H6S HAL2 0.090000 1.0080 0 12632 DPE 105 DPPE C27 CTL2 -0.180000 12.0110 0 12633 DPE 105 DPPE H7R HAL2 0.090000 1.0080 0 12634 DPE 105 DPPE H7S HAL2 0.090000 1.0080 0 12635 DPE 105 DPPE C28 CTL2 -0.180000 12.0110 0 12636 DPE 105 DPPE H8R HAL2 0.090000 1.0080 0 12637 DPE 105 DPPE H8S HAL2 0.090000 1.0080 0 12638 DPE 105 DPPE C29 CTL2 -0.180000 12.0110 0 12639 DPE 105 DPPE H9R HAL2 0.090000 1.0080 0 12640 DPE 105 DPPE H9S HAL2 0.090000 1.0080 0 12641 DPE 105 DPPE C210 CTL2 -0.180000 12.0110 0 12642 DPE 105 DPPE H10R HAL2 0.090000 1.0080 0 12643 DPE 105 DPPE H10S HAL2 0.090000 1.0080 0 12644 DPE 105 DPPE C211 CTL2 -0.180000 12.0110 0 12645 DPE 105 DPPE H11R HAL2 0.090000 1.0080 0 12646 DPE 105 DPPE H11S HAL2 0.090000 1.0080 0 12647 DPE 105 DPPE C212 CTL2 -0.180000 12.0110 0 12648 DPE 105 DPPE H12R HAL2 0.090000 1.0080 0 12649 DPE 105 DPPE H12S HAL2 0.090000 1.0080 0 12650 DPE 105 DPPE C213 CTL2 -0.180000 12.0110 0 12651 DPE 105 DPPE H13R HAL2 0.090000 1.0080 0 12652 DPE 105 DPPE H13S HAL2 0.090000 1.0080 0 12653 DPE 105 DPPE C214 CTL2 -0.180000 12.0110 0 12654 DPE 105 DPPE H14R HAL2 0.090000 1.0080 0 12655 DPE 105 DPPE H14S HAL2 0.090000 1.0080 0 12656 DPE 105 DPPE C215 CTL2 -0.180000 12.0110 0 12657 DPE 105 DPPE H15R HAL2 0.090000 1.0080 0 12658 DPE 105 DPPE H15S HAL2 0.090000 1.0080 0 12659 DPE 105 DPPE C216 CTL3 -0.270000 12.0110 0 12660 DPE 105 DPPE H16R HAL3 0.090000 1.0080 0 12661 DPE 105 DPPE H16S HAL3 0.090000 1.0080 0 12662 DPE 105 DPPE H16T HAL3 0.090000 1.0080 0 12663 DPE 105 DPPE C33 CTL2 -0.180000 12.0110 0 12664 DPE 105 DPPE H3X HAL2 0.090000 1.0080 0 12665 DPE 105 DPPE H3Y HAL2 0.090000 1.0080 0 12666 DPE 105 DPPE C34 CTL2 -0.180000 12.0110 0 12667 DPE 105 DPPE H4X HAL2 0.090000 1.0080 0 12668 DPE 105 DPPE H4Y HAL2 0.090000 1.0080 0 12669 DPE 105 DPPE C35 CTL2 -0.180000 12.0110 0 12670 DPE 105 DPPE H5X HAL2 0.090000 1.0080 0 12671 DPE 105 DPPE H5Y HAL2 0.090000 1.0080 0 12672 DPE 105 DPPE C36 CTL2 -0.180000 12.0110 0 12673 DPE 105 DPPE H6X HAL2 0.090000 1.0080 0 12674 DPE 105 DPPE H6Y HAL2 0.090000 1.0080 0 12675 DPE 105 DPPE C37 CTL2 -0.180000 12.0110 0 12676 DPE 105 DPPE H7X HAL2 0.090000 1.0080 0 12677 DPE 105 DPPE H7Y HAL2 0.090000 1.0080 0 12678 DPE 105 DPPE C38 CTL2 -0.180000 12.0110 0 12679 DPE 105 DPPE H8X HAL2 0.090000 1.0080 0 12680 DPE 105 DPPE H8Y HAL2 0.090000 1.0080 0 12681 DPE 105 DPPE C39 CTL2 -0.180000 12.0110 0 12682 DPE 105 DPPE H9X HAL2 0.090000 1.0080 0 12683 DPE 105 DPPE H9Y HAL2 0.090000 1.0080 0 12684 DPE 105 DPPE C310 CTL2 -0.180000 12.0110 0 12685 DPE 105 DPPE H10X HAL2 0.090000 1.0080 0 12686 DPE 105 DPPE H10Y HAL2 0.090000 1.0080 0 12687 DPE 105 DPPE C311 CTL2 -0.180000 12.0110 0 12688 DPE 105 DPPE H11X HAL2 0.090000 1.0080 0 12689 DPE 105 DPPE H11Y HAL2 0.090000 1.0080 0 12690 DPE 105 DPPE C312 CTL2 -0.180000 12.0110 0 12691 DPE 105 DPPE H12X HAL2 0.090000 1.0080 0 12692 DPE 105 DPPE H12Y HAL2 0.090000 1.0080 0 12693 DPE 105 DPPE C313 CTL2 -0.180000 12.0110 0 12694 DPE 105 DPPE H13X HAL2 0.090000 1.0080 0 12695 DPE 105 DPPE H13Y HAL2 0.090000 1.0080 0 12696 DPE 105 DPPE C314 CTL2 -0.180000 12.0110 0 12697 DPE 105 DPPE H14X HAL2 0.090000 1.0080 0 12698 DPE 105 DPPE H14Y HAL2 0.090000 1.0080 0 12699 DPE 105 DPPE C315 CTL2 -0.180000 12.0110 0 12700 DPE 105 DPPE H15X HAL2 0.090000 1.0080 0 12701 DPE 105 DPPE H15Y HAL2 0.090000 1.0080 0 12702 DPE 105 DPPE C316 CTL3 -0.270000 12.0110 0 12703 DPE 105 DPPE H16X HAL3 0.090000 1.0080 0 12704 DPE 105 DPPE H16Y HAL3 0.090000 1.0080 0 12705 DPE 105 DPPE H16Z HAL3 0.090000 1.0080 0 12706 DPE 106 DPPE N NH3L -0.300000 14.0070 0 12707 DPE 106 DPPE HN1 HCL 0.330000 1.0080 0 12708 DPE 106 DPPE HN2 HCL 0.330000 1.0080 0 12709 DPE 106 DPPE HN3 HCL 0.330000 1.0080 0 12710 DPE 106 DPPE C12 CTL2 0.130000 12.0110 0 12711 DPE 106 DPPE H12A HAL2 0.090000 1.0080 0 12712 DPE 106 DPPE H12B HAL2 0.090000 1.0080 0 12713 DPE 106 DPPE C11 CTL2 -0.080000 12.0110 0 12714 DPE 106 DPPE H11A HAL2 0.090000 1.0080 0 12715 DPE 106 DPPE H11B HAL2 0.090000 1.0080 0 12716 DPE 106 DPPE P PL 1.500000 30.9740 0 12717 DPE 106 DPPE O13 O2L -0.780000 15.9994 0 12718 DPE 106 DPPE O14 O2L -0.780000 15.9994 0 12719 DPE 106 DPPE O11 OSL -0.570000 15.9994 0 12720 DPE 106 DPPE O12 OSL -0.570000 15.9994 0 12721 DPE 106 DPPE C1 CTL2 -0.080000 12.0110 0 12722 DPE 106 DPPE HA HAL2 0.090000 1.0080 0 12723 DPE 106 DPPE HB HAL2 0.090000 1.0080 0 12724 DPE 106 DPPE C2 CTL1 0.040000 12.0110 0 12725 DPE 106 DPPE HS HAL1 0.090000 1.0080 0 12726 DPE 106 DPPE O21 OSL -0.340000 15.9994 0 12727 DPE 106 DPPE C21 CL 0.630000 12.0110 0 12728 DPE 106 DPPE O22 OBL -0.520000 15.9994 0 12729 DPE 106 DPPE C22 CTL2 -0.080000 12.0110 0 12730 DPE 106 DPPE H2R HAL2 0.090000 1.0080 0 12731 DPE 106 DPPE H2S HAL2 0.090000 1.0080 0 12732 DPE 106 DPPE C3 CTL2 -0.050000 12.0110 0 12733 DPE 106 DPPE HX HAL2 0.090000 1.0080 0 12734 DPE 106 DPPE HY HAL2 0.090000 1.0080 0 12735 DPE 106 DPPE O31 OSL -0.340000 15.9994 0 12736 DPE 106 DPPE C31 CL 0.630000 12.0110 0 12737 DPE 106 DPPE O32 OBL -0.520000 15.9994 0 12738 DPE 106 DPPE C32 CTL2 -0.080000 12.0110 0 12739 DPE 106 DPPE H2X HAL2 0.090000 1.0080 0 12740 DPE 106 DPPE H2Y HAL2 0.090000 1.0080 0 12741 DPE 106 DPPE C23 CTL2 -0.180000 12.0110 0 12742 DPE 106 DPPE H3R HAL2 0.090000 1.0080 0 12743 DPE 106 DPPE H3S HAL2 0.090000 1.0080 0 12744 DPE 106 DPPE C24 CTL2 -0.180000 12.0110 0 12745 DPE 106 DPPE H4R HAL2 0.090000 1.0080 0 12746 DPE 106 DPPE H4S HAL2 0.090000 1.0080 0 12747 DPE 106 DPPE C25 CTL2 -0.180000 12.0110 0 12748 DPE 106 DPPE H5R HAL2 0.090000 1.0080 0 12749 DPE 106 DPPE H5S HAL2 0.090000 1.0080 0 12750 DPE 106 DPPE C26 CTL2 -0.180000 12.0110 0 12751 DPE 106 DPPE H6R HAL2 0.090000 1.0080 0 12752 DPE 106 DPPE H6S HAL2 0.090000 1.0080 0 12753 DPE 106 DPPE C27 CTL2 -0.180000 12.0110 0 12754 DPE 106 DPPE H7R HAL2 0.090000 1.0080 0 12755 DPE 106 DPPE H7S HAL2 0.090000 1.0080 0 12756 DPE 106 DPPE C28 CTL2 -0.180000 12.0110 0 12757 DPE 106 DPPE H8R HAL2 0.090000 1.0080 0 12758 DPE 106 DPPE H8S HAL2 0.090000 1.0080 0 12759 DPE 106 DPPE C29 CTL2 -0.180000 12.0110 0 12760 DPE 106 DPPE H9R HAL2 0.090000 1.0080 0 12761 DPE 106 DPPE H9S HAL2 0.090000 1.0080 0 12762 DPE 106 DPPE C210 CTL2 -0.180000 12.0110 0 12763 DPE 106 DPPE H10R HAL2 0.090000 1.0080 0 12764 DPE 106 DPPE H10S HAL2 0.090000 1.0080 0 12765 DPE 106 DPPE C211 CTL2 -0.180000 12.0110 0 12766 DPE 106 DPPE H11R HAL2 0.090000 1.0080 0 12767 DPE 106 DPPE H11S HAL2 0.090000 1.0080 0 12768 DPE 106 DPPE C212 CTL2 -0.180000 12.0110 0 12769 DPE 106 DPPE H12R HAL2 0.090000 1.0080 0 12770 DPE 106 DPPE H12S HAL2 0.090000 1.0080 0 12771 DPE 106 DPPE C213 CTL2 -0.180000 12.0110 0 12772 DPE 106 DPPE H13R HAL2 0.090000 1.0080 0 12773 DPE 106 DPPE H13S HAL2 0.090000 1.0080 0 12774 DPE 106 DPPE C214 CTL2 -0.180000 12.0110 0 12775 DPE 106 DPPE H14R HAL2 0.090000 1.0080 0 12776 DPE 106 DPPE H14S HAL2 0.090000 1.0080 0 12777 DPE 106 DPPE C215 CTL2 -0.180000 12.0110 0 12778 DPE 106 DPPE H15R HAL2 0.090000 1.0080 0 12779 DPE 106 DPPE H15S HAL2 0.090000 1.0080 0 12780 DPE 106 DPPE C216 CTL3 -0.270000 12.0110 0 12781 DPE 106 DPPE H16R HAL3 0.090000 1.0080 0 12782 DPE 106 DPPE H16S HAL3 0.090000 1.0080 0 12783 DPE 106 DPPE H16T HAL3 0.090000 1.0080 0 12784 DPE 106 DPPE C33 CTL2 -0.180000 12.0110 0 12785 DPE 106 DPPE H3X HAL2 0.090000 1.0080 0 12786 DPE 106 DPPE H3Y HAL2 0.090000 1.0080 0 12787 DPE 106 DPPE C34 CTL2 -0.180000 12.0110 0 12788 DPE 106 DPPE H4X HAL2 0.090000 1.0080 0 12789 DPE 106 DPPE H4Y HAL2 0.090000 1.0080 0 12790 DPE 106 DPPE C35 CTL2 -0.180000 12.0110 0 12791 DPE 106 DPPE H5X HAL2 0.090000 1.0080 0 12792 DPE 106 DPPE H5Y HAL2 0.090000 1.0080 0 12793 DPE 106 DPPE C36 CTL2 -0.180000 12.0110 0 12794 DPE 106 DPPE H6X HAL2 0.090000 1.0080 0 12795 DPE 106 DPPE H6Y HAL2 0.090000 1.0080 0 12796 DPE 106 DPPE C37 CTL2 -0.180000 12.0110 0 12797 DPE 106 DPPE H7X HAL2 0.090000 1.0080 0 12798 DPE 106 DPPE H7Y HAL2 0.090000 1.0080 0 12799 DPE 106 DPPE C38 CTL2 -0.180000 12.0110 0 12800 DPE 106 DPPE H8X HAL2 0.090000 1.0080 0 12801 DPE 106 DPPE H8Y HAL2 0.090000 1.0080 0 12802 DPE 106 DPPE C39 CTL2 -0.180000 12.0110 0 12803 DPE 106 DPPE H9X HAL2 0.090000 1.0080 0 12804 DPE 106 DPPE H9Y HAL2 0.090000 1.0080 0 12805 DPE 106 DPPE C310 CTL2 -0.180000 12.0110 0 12806 DPE 106 DPPE H10X HAL2 0.090000 1.0080 0 12807 DPE 106 DPPE H10Y HAL2 0.090000 1.0080 0 12808 DPE 106 DPPE C311 CTL2 -0.180000 12.0110 0 12809 DPE 106 DPPE H11X HAL2 0.090000 1.0080 0 12810 DPE 106 DPPE H11Y HAL2 0.090000 1.0080 0 12811 DPE 106 DPPE C312 CTL2 -0.180000 12.0110 0 12812 DPE 106 DPPE H12X HAL2 0.090000 1.0080 0 12813 DPE 106 DPPE H12Y HAL2 0.090000 1.0080 0 12814 DPE 106 DPPE C313 CTL2 -0.180000 12.0110 0 12815 DPE 106 DPPE H13X HAL2 0.090000 1.0080 0 12816 DPE 106 DPPE H13Y HAL2 0.090000 1.0080 0 12817 DPE 106 DPPE C314 CTL2 -0.180000 12.0110 0 12818 DPE 106 DPPE H14X HAL2 0.090000 1.0080 0 12819 DPE 106 DPPE H14Y HAL2 0.090000 1.0080 0 12820 DPE 106 DPPE C315 CTL2 -0.180000 12.0110 0 12821 DPE 106 DPPE H15X HAL2 0.090000 1.0080 0 12822 DPE 106 DPPE H15Y HAL2 0.090000 1.0080 0 12823 DPE 106 DPPE C316 CTL3 -0.270000 12.0110 0 12824 DPE 106 DPPE H16X HAL3 0.090000 1.0080 0 12825 DPE 106 DPPE H16Y HAL3 0.090000 1.0080 0 12826 DPE 106 DPPE H16Z HAL3 0.090000 1.0080 0 12827 DPE 107 DPPE N NH3L -0.300000 14.0070 0 12828 DPE 107 DPPE HN1 HCL 0.330000 1.0080 0 12829 DPE 107 DPPE HN2 HCL 0.330000 1.0080 0 12830 DPE 107 DPPE HN3 HCL 0.330000 1.0080 0 12831 DPE 107 DPPE C12 CTL2 0.130000 12.0110 0 12832 DPE 107 DPPE H12A HAL2 0.090000 1.0080 0 12833 DPE 107 DPPE H12B HAL2 0.090000 1.0080 0 12834 DPE 107 DPPE C11 CTL2 -0.080000 12.0110 0 12835 DPE 107 DPPE H11A HAL2 0.090000 1.0080 0 12836 DPE 107 DPPE H11B HAL2 0.090000 1.0080 0 12837 DPE 107 DPPE P PL 1.500000 30.9740 0 12838 DPE 107 DPPE O13 O2L -0.780000 15.9994 0 12839 DPE 107 DPPE O14 O2L -0.780000 15.9994 0 12840 DPE 107 DPPE O11 OSL -0.570000 15.9994 0 12841 DPE 107 DPPE O12 OSL -0.570000 15.9994 0 12842 DPE 107 DPPE C1 CTL2 -0.080000 12.0110 0 12843 DPE 107 DPPE HA HAL2 0.090000 1.0080 0 12844 DPE 107 DPPE HB HAL2 0.090000 1.0080 0 12845 DPE 107 DPPE C2 CTL1 0.040000 12.0110 0 12846 DPE 107 DPPE HS HAL1 0.090000 1.0080 0 12847 DPE 107 DPPE O21 OSL -0.340000 15.9994 0 12848 DPE 107 DPPE C21 CL 0.630000 12.0110 0 12849 DPE 107 DPPE O22 OBL -0.520000 15.9994 0 12850 DPE 107 DPPE C22 CTL2 -0.080000 12.0110 0 12851 DPE 107 DPPE H2R HAL2 0.090000 1.0080 0 12852 DPE 107 DPPE H2S HAL2 0.090000 1.0080 0 12853 DPE 107 DPPE C3 CTL2 -0.050000 12.0110 0 12854 DPE 107 DPPE HX HAL2 0.090000 1.0080 0 12855 DPE 107 DPPE HY HAL2 0.090000 1.0080 0 12856 DPE 107 DPPE O31 OSL -0.340000 15.9994 0 12857 DPE 107 DPPE C31 CL 0.630000 12.0110 0 12858 DPE 107 DPPE O32 OBL -0.520000 15.9994 0 12859 DPE 107 DPPE C32 CTL2 -0.080000 12.0110 0 12860 DPE 107 DPPE H2X HAL2 0.090000 1.0080 0 12861 DPE 107 DPPE H2Y HAL2 0.090000 1.0080 0 12862 DPE 107 DPPE C23 CTL2 -0.180000 12.0110 0 12863 DPE 107 DPPE H3R HAL2 0.090000 1.0080 0 12864 DPE 107 DPPE H3S HAL2 0.090000 1.0080 0 12865 DPE 107 DPPE C24 CTL2 -0.180000 12.0110 0 12866 DPE 107 DPPE H4R HAL2 0.090000 1.0080 0 12867 DPE 107 DPPE H4S HAL2 0.090000 1.0080 0 12868 DPE 107 DPPE C25 CTL2 -0.180000 12.0110 0 12869 DPE 107 DPPE H5R HAL2 0.090000 1.0080 0 12870 DPE 107 DPPE H5S HAL2 0.090000 1.0080 0 12871 DPE 107 DPPE C26 CTL2 -0.180000 12.0110 0 12872 DPE 107 DPPE H6R HAL2 0.090000 1.0080 0 12873 DPE 107 DPPE H6S HAL2 0.090000 1.0080 0 12874 DPE 107 DPPE C27 CTL2 -0.180000 12.0110 0 12875 DPE 107 DPPE H7R HAL2 0.090000 1.0080 0 12876 DPE 107 DPPE H7S HAL2 0.090000 1.0080 0 12877 DPE 107 DPPE C28 CTL2 -0.180000 12.0110 0 12878 DPE 107 DPPE H8R HAL2 0.090000 1.0080 0 12879 DPE 107 DPPE H8S HAL2 0.090000 1.0080 0 12880 DPE 107 DPPE C29 CTL2 -0.180000 12.0110 0 12881 DPE 107 DPPE H9R HAL2 0.090000 1.0080 0 12882 DPE 107 DPPE H9S HAL2 0.090000 1.0080 0 12883 DPE 107 DPPE C210 CTL2 -0.180000 12.0110 0 12884 DPE 107 DPPE H10R HAL2 0.090000 1.0080 0 12885 DPE 107 DPPE H10S HAL2 0.090000 1.0080 0 12886 DPE 107 DPPE C211 CTL2 -0.180000 12.0110 0 12887 DPE 107 DPPE H11R HAL2 0.090000 1.0080 0 12888 DPE 107 DPPE H11S HAL2 0.090000 1.0080 0 12889 DPE 107 DPPE C212 CTL2 -0.180000 12.0110 0 12890 DPE 107 DPPE H12R HAL2 0.090000 1.0080 0 12891 DPE 107 DPPE H12S HAL2 0.090000 1.0080 0 12892 DPE 107 DPPE C213 CTL2 -0.180000 12.0110 0 12893 DPE 107 DPPE H13R HAL2 0.090000 1.0080 0 12894 DPE 107 DPPE H13S HAL2 0.090000 1.0080 0 12895 DPE 107 DPPE C214 CTL2 -0.180000 12.0110 0 12896 DPE 107 DPPE H14R HAL2 0.090000 1.0080 0 12897 DPE 107 DPPE H14S HAL2 0.090000 1.0080 0 12898 DPE 107 DPPE C215 CTL2 -0.180000 12.0110 0 12899 DPE 107 DPPE H15R HAL2 0.090000 1.0080 0 12900 DPE 107 DPPE H15S HAL2 0.090000 1.0080 0 12901 DPE 107 DPPE C216 CTL3 -0.270000 12.0110 0 12902 DPE 107 DPPE H16R HAL3 0.090000 1.0080 0 12903 DPE 107 DPPE H16S HAL3 0.090000 1.0080 0 12904 DPE 107 DPPE H16T HAL3 0.090000 1.0080 0 12905 DPE 107 DPPE C33 CTL2 -0.180000 12.0110 0 12906 DPE 107 DPPE H3X HAL2 0.090000 1.0080 0 12907 DPE 107 DPPE H3Y HAL2 0.090000 1.0080 0 12908 DPE 107 DPPE C34 CTL2 -0.180000 12.0110 0 12909 DPE 107 DPPE H4X HAL2 0.090000 1.0080 0 12910 DPE 107 DPPE H4Y HAL2 0.090000 1.0080 0 12911 DPE 107 DPPE C35 CTL2 -0.180000 12.0110 0 12912 DPE 107 DPPE H5X HAL2 0.090000 1.0080 0 12913 DPE 107 DPPE H5Y HAL2 0.090000 1.0080 0 12914 DPE 107 DPPE C36 CTL2 -0.180000 12.0110 0 12915 DPE 107 DPPE H6X HAL2 0.090000 1.0080 0 12916 DPE 107 DPPE H6Y HAL2 0.090000 1.0080 0 12917 DPE 107 DPPE C37 CTL2 -0.180000 12.0110 0 12918 DPE 107 DPPE H7X HAL2 0.090000 1.0080 0 12919 DPE 107 DPPE H7Y HAL2 0.090000 1.0080 0 12920 DPE 107 DPPE C38 CTL2 -0.180000 12.0110 0 12921 DPE 107 DPPE H8X HAL2 0.090000 1.0080 0 12922 DPE 107 DPPE H8Y HAL2 0.090000 1.0080 0 12923 DPE 107 DPPE C39 CTL2 -0.180000 12.0110 0 12924 DPE 107 DPPE H9X HAL2 0.090000 1.0080 0 12925 DPE 107 DPPE H9Y HAL2 0.090000 1.0080 0 12926 DPE 107 DPPE C310 CTL2 -0.180000 12.0110 0 12927 DPE 107 DPPE H10X HAL2 0.090000 1.0080 0 12928 DPE 107 DPPE H10Y HAL2 0.090000 1.0080 0 12929 DPE 107 DPPE C311 CTL2 -0.180000 12.0110 0 12930 DPE 107 DPPE H11X HAL2 0.090000 1.0080 0 12931 DPE 107 DPPE H11Y HAL2 0.090000 1.0080 0 12932 DPE 107 DPPE C312 CTL2 -0.180000 12.0110 0 12933 DPE 107 DPPE H12X HAL2 0.090000 1.0080 0 12934 DPE 107 DPPE H12Y HAL2 0.090000 1.0080 0 12935 DPE 107 DPPE C313 CTL2 -0.180000 12.0110 0 12936 DPE 107 DPPE H13X HAL2 0.090000 1.0080 0 12937 DPE 107 DPPE H13Y HAL2 0.090000 1.0080 0 12938 DPE 107 DPPE C314 CTL2 -0.180000 12.0110 0 12939 DPE 107 DPPE H14X HAL2 0.090000 1.0080 0 12940 DPE 107 DPPE H14Y HAL2 0.090000 1.0080 0 12941 DPE 107 DPPE C315 CTL2 -0.180000 12.0110 0 12942 DPE 107 DPPE H15X HAL2 0.090000 1.0080 0 12943 DPE 107 DPPE H15Y HAL2 0.090000 1.0080 0 12944 DPE 107 DPPE C316 CTL3 -0.270000 12.0110 0 12945 DPE 107 DPPE H16X HAL3 0.090000 1.0080 0 12946 DPE 107 DPPE H16Y HAL3 0.090000 1.0080 0 12947 DPE 107 DPPE H16Z HAL3 0.090000 1.0080 0 12948 DPE 108 DPPE N NH3L -0.300000 14.0070 0 12949 DPE 108 DPPE HN1 HCL 0.330000 1.0080 0 12950 DPE 108 DPPE HN2 HCL 0.330000 1.0080 0 12951 DPE 108 DPPE HN3 HCL 0.330000 1.0080 0 12952 DPE 108 DPPE C12 CTL2 0.130000 12.0110 0 12953 DPE 108 DPPE H12A HAL2 0.090000 1.0080 0 12954 DPE 108 DPPE H12B HAL2 0.090000 1.0080 0 12955 DPE 108 DPPE C11 CTL2 -0.080000 12.0110 0 12956 DPE 108 DPPE H11A HAL2 0.090000 1.0080 0 12957 DPE 108 DPPE H11B HAL2 0.090000 1.0080 0 12958 DPE 108 DPPE P PL 1.500000 30.9740 0 12959 DPE 108 DPPE O13 O2L -0.780000 15.9994 0 12960 DPE 108 DPPE O14 O2L -0.780000 15.9994 0 12961 DPE 108 DPPE O11 OSL -0.570000 15.9994 0 12962 DPE 108 DPPE O12 OSL -0.570000 15.9994 0 12963 DPE 108 DPPE C1 CTL2 -0.080000 12.0110 0 12964 DPE 108 DPPE HA HAL2 0.090000 1.0080 0 12965 DPE 108 DPPE HB HAL2 0.090000 1.0080 0 12966 DPE 108 DPPE C2 CTL1 0.040000 12.0110 0 12967 DPE 108 DPPE HS HAL1 0.090000 1.0080 0 12968 DPE 108 DPPE O21 OSL -0.340000 15.9994 0 12969 DPE 108 DPPE C21 CL 0.630000 12.0110 0 12970 DPE 108 DPPE O22 OBL -0.520000 15.9994 0 12971 DPE 108 DPPE C22 CTL2 -0.080000 12.0110 0 12972 DPE 108 DPPE H2R HAL2 0.090000 1.0080 0 12973 DPE 108 DPPE H2S HAL2 0.090000 1.0080 0 12974 DPE 108 DPPE C3 CTL2 -0.050000 12.0110 0 12975 DPE 108 DPPE HX HAL2 0.090000 1.0080 0 12976 DPE 108 DPPE HY HAL2 0.090000 1.0080 0 12977 DPE 108 DPPE O31 OSL -0.340000 15.9994 0 12978 DPE 108 DPPE C31 CL 0.630000 12.0110 0 12979 DPE 108 DPPE O32 OBL -0.520000 15.9994 0 12980 DPE 108 DPPE C32 CTL2 -0.080000 12.0110 0 12981 DPE 108 DPPE H2X HAL2 0.090000 1.0080 0 12982 DPE 108 DPPE H2Y HAL2 0.090000 1.0080 0 12983 DPE 108 DPPE C23 CTL2 -0.180000 12.0110 0 12984 DPE 108 DPPE H3R HAL2 0.090000 1.0080 0 12985 DPE 108 DPPE H3S HAL2 0.090000 1.0080 0 12986 DPE 108 DPPE C24 CTL2 -0.180000 12.0110 0 12987 DPE 108 DPPE H4R HAL2 0.090000 1.0080 0 12988 DPE 108 DPPE H4S HAL2 0.090000 1.0080 0 12989 DPE 108 DPPE C25 CTL2 -0.180000 12.0110 0 12990 DPE 108 DPPE H5R HAL2 0.090000 1.0080 0 12991 DPE 108 DPPE H5S HAL2 0.090000 1.0080 0 12992 DPE 108 DPPE C26 CTL2 -0.180000 12.0110 0 12993 DPE 108 DPPE H6R HAL2 0.090000 1.0080 0 12994 DPE 108 DPPE H6S HAL2 0.090000 1.0080 0 12995 DPE 108 DPPE C27 CTL2 -0.180000 12.0110 0 12996 DPE 108 DPPE H7R HAL2 0.090000 1.0080 0 12997 DPE 108 DPPE H7S HAL2 0.090000 1.0080 0 12998 DPE 108 DPPE C28 CTL2 -0.180000 12.0110 0 12999 DPE 108 DPPE H8R HAL2 0.090000 1.0080 0 13000 DPE 108 DPPE H8S HAL2 0.090000 1.0080 0 13001 DPE 108 DPPE C29 CTL2 -0.180000 12.0110 0 13002 DPE 108 DPPE H9R HAL2 0.090000 1.0080 0 13003 DPE 108 DPPE H9S HAL2 0.090000 1.0080 0 13004 DPE 108 DPPE C210 CTL2 -0.180000 12.0110 0 13005 DPE 108 DPPE H10R HAL2 0.090000 1.0080 0 13006 DPE 108 DPPE H10S HAL2 0.090000 1.0080 0 13007 DPE 108 DPPE C211 CTL2 -0.180000 12.0110 0 13008 DPE 108 DPPE H11R HAL2 0.090000 1.0080 0 13009 DPE 108 DPPE H11S HAL2 0.090000 1.0080 0 13010 DPE 108 DPPE C212 CTL2 -0.180000 12.0110 0 13011 DPE 108 DPPE H12R HAL2 0.090000 1.0080 0 13012 DPE 108 DPPE H12S HAL2 0.090000 1.0080 0 13013 DPE 108 DPPE C213 CTL2 -0.180000 12.0110 0 13014 DPE 108 DPPE H13R HAL2 0.090000 1.0080 0 13015 DPE 108 DPPE H13S HAL2 0.090000 1.0080 0 13016 DPE 108 DPPE C214 CTL2 -0.180000 12.0110 0 13017 DPE 108 DPPE H14R HAL2 0.090000 1.0080 0 13018 DPE 108 DPPE H14S HAL2 0.090000 1.0080 0 13019 DPE 108 DPPE C215 CTL2 -0.180000 12.0110 0 13020 DPE 108 DPPE H15R HAL2 0.090000 1.0080 0 13021 DPE 108 DPPE H15S HAL2 0.090000 1.0080 0 13022 DPE 108 DPPE C216 CTL3 -0.270000 12.0110 0 13023 DPE 108 DPPE H16R HAL3 0.090000 1.0080 0 13024 DPE 108 DPPE H16S HAL3 0.090000 1.0080 0 13025 DPE 108 DPPE H16T HAL3 0.090000 1.0080 0 13026 DPE 108 DPPE C33 CTL2 -0.180000 12.0110 0 13027 DPE 108 DPPE H3X HAL2 0.090000 1.0080 0 13028 DPE 108 DPPE H3Y HAL2 0.090000 1.0080 0 13029 DPE 108 DPPE C34 CTL2 -0.180000 12.0110 0 13030 DPE 108 DPPE H4X HAL2 0.090000 1.0080 0 13031 DPE 108 DPPE H4Y HAL2 0.090000 1.0080 0 13032 DPE 108 DPPE C35 CTL2 -0.180000 12.0110 0 13033 DPE 108 DPPE H5X HAL2 0.090000 1.0080 0 13034 DPE 108 DPPE H5Y HAL2 0.090000 1.0080 0 13035 DPE 108 DPPE C36 CTL2 -0.180000 12.0110 0 13036 DPE 108 DPPE H6X HAL2 0.090000 1.0080 0 13037 DPE 108 DPPE H6Y HAL2 0.090000 1.0080 0 13038 DPE 108 DPPE C37 CTL2 -0.180000 12.0110 0 13039 DPE 108 DPPE H7X HAL2 0.090000 1.0080 0 13040 DPE 108 DPPE H7Y HAL2 0.090000 1.0080 0 13041 DPE 108 DPPE C38 CTL2 -0.180000 12.0110 0 13042 DPE 108 DPPE H8X HAL2 0.090000 1.0080 0 13043 DPE 108 DPPE H8Y HAL2 0.090000 1.0080 0 13044 DPE 108 DPPE C39 CTL2 -0.180000 12.0110 0 13045 DPE 108 DPPE H9X HAL2 0.090000 1.0080 0 13046 DPE 108 DPPE H9Y HAL2 0.090000 1.0080 0 13047 DPE 108 DPPE C310 CTL2 -0.180000 12.0110 0 13048 DPE 108 DPPE H10X HAL2 0.090000 1.0080 0 13049 DPE 108 DPPE H10Y HAL2 0.090000 1.0080 0 13050 DPE 108 DPPE C311 CTL2 -0.180000 12.0110 0 13051 DPE 108 DPPE H11X HAL2 0.090000 1.0080 0 13052 DPE 108 DPPE H11Y HAL2 0.090000 1.0080 0 13053 DPE 108 DPPE C312 CTL2 -0.180000 12.0110 0 13054 DPE 108 DPPE H12X HAL2 0.090000 1.0080 0 13055 DPE 108 DPPE H12Y HAL2 0.090000 1.0080 0 13056 DPE 108 DPPE C313 CTL2 -0.180000 12.0110 0 13057 DPE 108 DPPE H13X HAL2 0.090000 1.0080 0 13058 DPE 108 DPPE H13Y HAL2 0.090000 1.0080 0 13059 DPE 108 DPPE C314 CTL2 -0.180000 12.0110 0 13060 DPE 108 DPPE H14X HAL2 0.090000 1.0080 0 13061 DPE 108 DPPE H14Y HAL2 0.090000 1.0080 0 13062 DPE 108 DPPE C315 CTL2 -0.180000 12.0110 0 13063 DPE 108 DPPE H15X HAL2 0.090000 1.0080 0 13064 DPE 108 DPPE H15Y HAL2 0.090000 1.0080 0 13065 DPE 108 DPPE C316 CTL3 -0.270000 12.0110 0 13066 DPE 108 DPPE H16X HAL3 0.090000 1.0080 0 13067 DPE 108 DPPE H16Y HAL3 0.090000 1.0080 0 13068 DPE 108 DPPE H16Z HAL3 0.090000 1.0080 0 13069 DPE 109 DPPE N NH3L -0.300000 14.0070 0 13070 DPE 109 DPPE HN1 HCL 0.330000 1.0080 0 13071 DPE 109 DPPE HN2 HCL 0.330000 1.0080 0 13072 DPE 109 DPPE HN3 HCL 0.330000 1.0080 0 13073 DPE 109 DPPE C12 CTL2 0.130000 12.0110 0 13074 DPE 109 DPPE H12A HAL2 0.090000 1.0080 0 13075 DPE 109 DPPE H12B HAL2 0.090000 1.0080 0 13076 DPE 109 DPPE C11 CTL2 -0.080000 12.0110 0 13077 DPE 109 DPPE H11A HAL2 0.090000 1.0080 0 13078 DPE 109 DPPE H11B HAL2 0.090000 1.0080 0 13079 DPE 109 DPPE P PL 1.500000 30.9740 0 13080 DPE 109 DPPE O13 O2L -0.780000 15.9994 0 13081 DPE 109 DPPE O14 O2L -0.780000 15.9994 0 13082 DPE 109 DPPE O11 OSL -0.570000 15.9994 0 13083 DPE 109 DPPE O12 OSL -0.570000 15.9994 0 13084 DPE 109 DPPE C1 CTL2 -0.080000 12.0110 0 13085 DPE 109 DPPE HA HAL2 0.090000 1.0080 0 13086 DPE 109 DPPE HB HAL2 0.090000 1.0080 0 13087 DPE 109 DPPE C2 CTL1 0.040000 12.0110 0 13088 DPE 109 DPPE HS HAL1 0.090000 1.0080 0 13089 DPE 109 DPPE O21 OSL -0.340000 15.9994 0 13090 DPE 109 DPPE C21 CL 0.630000 12.0110 0 13091 DPE 109 DPPE O22 OBL -0.520000 15.9994 0 13092 DPE 109 DPPE C22 CTL2 -0.080000 12.0110 0 13093 DPE 109 DPPE H2R HAL2 0.090000 1.0080 0 13094 DPE 109 DPPE H2S HAL2 0.090000 1.0080 0 13095 DPE 109 DPPE C3 CTL2 -0.050000 12.0110 0 13096 DPE 109 DPPE HX HAL2 0.090000 1.0080 0 13097 DPE 109 DPPE HY HAL2 0.090000 1.0080 0 13098 DPE 109 DPPE O31 OSL -0.340000 15.9994 0 13099 DPE 109 DPPE C31 CL 0.630000 12.0110 0 13100 DPE 109 DPPE O32 OBL -0.520000 15.9994 0 13101 DPE 109 DPPE C32 CTL2 -0.080000 12.0110 0 13102 DPE 109 DPPE H2X HAL2 0.090000 1.0080 0 13103 DPE 109 DPPE H2Y HAL2 0.090000 1.0080 0 13104 DPE 109 DPPE C23 CTL2 -0.180000 12.0110 0 13105 DPE 109 DPPE H3R HAL2 0.090000 1.0080 0 13106 DPE 109 DPPE H3S HAL2 0.090000 1.0080 0 13107 DPE 109 DPPE C24 CTL2 -0.180000 12.0110 0 13108 DPE 109 DPPE H4R HAL2 0.090000 1.0080 0 13109 DPE 109 DPPE H4S HAL2 0.090000 1.0080 0 13110 DPE 109 DPPE C25 CTL2 -0.180000 12.0110 0 13111 DPE 109 DPPE H5R HAL2 0.090000 1.0080 0 13112 DPE 109 DPPE H5S HAL2 0.090000 1.0080 0 13113 DPE 109 DPPE C26 CTL2 -0.180000 12.0110 0 13114 DPE 109 DPPE H6R HAL2 0.090000 1.0080 0 13115 DPE 109 DPPE H6S HAL2 0.090000 1.0080 0 13116 DPE 109 DPPE C27 CTL2 -0.180000 12.0110 0 13117 DPE 109 DPPE H7R HAL2 0.090000 1.0080 0 13118 DPE 109 DPPE H7S HAL2 0.090000 1.0080 0 13119 DPE 109 DPPE C28 CTL2 -0.180000 12.0110 0 13120 DPE 109 DPPE H8R HAL2 0.090000 1.0080 0 13121 DPE 109 DPPE H8S HAL2 0.090000 1.0080 0 13122 DPE 109 DPPE C29 CTL2 -0.180000 12.0110 0 13123 DPE 109 DPPE H9R HAL2 0.090000 1.0080 0 13124 DPE 109 DPPE H9S HAL2 0.090000 1.0080 0 13125 DPE 109 DPPE C210 CTL2 -0.180000 12.0110 0 13126 DPE 109 DPPE H10R HAL2 0.090000 1.0080 0 13127 DPE 109 DPPE H10S HAL2 0.090000 1.0080 0 13128 DPE 109 DPPE C211 CTL2 -0.180000 12.0110 0 13129 DPE 109 DPPE H11R HAL2 0.090000 1.0080 0 13130 DPE 109 DPPE H11S HAL2 0.090000 1.0080 0 13131 DPE 109 DPPE C212 CTL2 -0.180000 12.0110 0 13132 DPE 109 DPPE H12R HAL2 0.090000 1.0080 0 13133 DPE 109 DPPE H12S HAL2 0.090000 1.0080 0 13134 DPE 109 DPPE C213 CTL2 -0.180000 12.0110 0 13135 DPE 109 DPPE H13R HAL2 0.090000 1.0080 0 13136 DPE 109 DPPE H13S HAL2 0.090000 1.0080 0 13137 DPE 109 DPPE C214 CTL2 -0.180000 12.0110 0 13138 DPE 109 DPPE H14R HAL2 0.090000 1.0080 0 13139 DPE 109 DPPE H14S HAL2 0.090000 1.0080 0 13140 DPE 109 DPPE C215 CTL2 -0.180000 12.0110 0 13141 DPE 109 DPPE H15R HAL2 0.090000 1.0080 0 13142 DPE 109 DPPE H15S HAL2 0.090000 1.0080 0 13143 DPE 109 DPPE C216 CTL3 -0.270000 12.0110 0 13144 DPE 109 DPPE H16R HAL3 0.090000 1.0080 0 13145 DPE 109 DPPE H16S HAL3 0.090000 1.0080 0 13146 DPE 109 DPPE H16T HAL3 0.090000 1.0080 0 13147 DPE 109 DPPE C33 CTL2 -0.180000 12.0110 0 13148 DPE 109 DPPE H3X HAL2 0.090000 1.0080 0 13149 DPE 109 DPPE H3Y HAL2 0.090000 1.0080 0 13150 DPE 109 DPPE C34 CTL2 -0.180000 12.0110 0 13151 DPE 109 DPPE H4X HAL2 0.090000 1.0080 0 13152 DPE 109 DPPE H4Y HAL2 0.090000 1.0080 0 13153 DPE 109 DPPE C35 CTL2 -0.180000 12.0110 0 13154 DPE 109 DPPE H5X HAL2 0.090000 1.0080 0 13155 DPE 109 DPPE H5Y HAL2 0.090000 1.0080 0 13156 DPE 109 DPPE C36 CTL2 -0.180000 12.0110 0 13157 DPE 109 DPPE H6X HAL2 0.090000 1.0080 0 13158 DPE 109 DPPE H6Y HAL2 0.090000 1.0080 0 13159 DPE 109 DPPE C37 CTL2 -0.180000 12.0110 0 13160 DPE 109 DPPE H7X HAL2 0.090000 1.0080 0 13161 DPE 109 DPPE H7Y HAL2 0.090000 1.0080 0 13162 DPE 109 DPPE C38 CTL2 -0.180000 12.0110 0 13163 DPE 109 DPPE H8X HAL2 0.090000 1.0080 0 13164 DPE 109 DPPE H8Y HAL2 0.090000 1.0080 0 13165 DPE 109 DPPE C39 CTL2 -0.180000 12.0110 0 13166 DPE 109 DPPE H9X HAL2 0.090000 1.0080 0 13167 DPE 109 DPPE H9Y HAL2 0.090000 1.0080 0 13168 DPE 109 DPPE C310 CTL2 -0.180000 12.0110 0 13169 DPE 109 DPPE H10X HAL2 0.090000 1.0080 0 13170 DPE 109 DPPE H10Y HAL2 0.090000 1.0080 0 13171 DPE 109 DPPE C311 CTL2 -0.180000 12.0110 0 13172 DPE 109 DPPE H11X HAL2 0.090000 1.0080 0 13173 DPE 109 DPPE H11Y HAL2 0.090000 1.0080 0 13174 DPE 109 DPPE C312 CTL2 -0.180000 12.0110 0 13175 DPE 109 DPPE H12X HAL2 0.090000 1.0080 0 13176 DPE 109 DPPE H12Y HAL2 0.090000 1.0080 0 13177 DPE 109 DPPE C313 CTL2 -0.180000 12.0110 0 13178 DPE 109 DPPE H13X HAL2 0.090000 1.0080 0 13179 DPE 109 DPPE H13Y HAL2 0.090000 1.0080 0 13180 DPE 109 DPPE C314 CTL2 -0.180000 12.0110 0 13181 DPE 109 DPPE H14X HAL2 0.090000 1.0080 0 13182 DPE 109 DPPE H14Y HAL2 0.090000 1.0080 0 13183 DPE 109 DPPE C315 CTL2 -0.180000 12.0110 0 13184 DPE 109 DPPE H15X HAL2 0.090000 1.0080 0 13185 DPE 109 DPPE H15Y HAL2 0.090000 1.0080 0 13186 DPE 109 DPPE C316 CTL3 -0.270000 12.0110 0 13187 DPE 109 DPPE H16X HAL3 0.090000 1.0080 0 13188 DPE 109 DPPE H16Y HAL3 0.090000 1.0080 0 13189 DPE 109 DPPE H16Z HAL3 0.090000 1.0080 0 13190 DPE 110 DPPE N NH3L -0.300000 14.0070 0 13191 DPE 110 DPPE HN1 HCL 0.330000 1.0080 0 13192 DPE 110 DPPE HN2 HCL 0.330000 1.0080 0 13193 DPE 110 DPPE HN3 HCL 0.330000 1.0080 0 13194 DPE 110 DPPE C12 CTL2 0.130000 12.0110 0 13195 DPE 110 DPPE H12A HAL2 0.090000 1.0080 0 13196 DPE 110 DPPE H12B HAL2 0.090000 1.0080 0 13197 DPE 110 DPPE C11 CTL2 -0.080000 12.0110 0 13198 DPE 110 DPPE H11A HAL2 0.090000 1.0080 0 13199 DPE 110 DPPE H11B HAL2 0.090000 1.0080 0 13200 DPE 110 DPPE P PL 1.500000 30.9740 0 13201 DPE 110 DPPE O13 O2L -0.780000 15.9994 0 13202 DPE 110 DPPE O14 O2L -0.780000 15.9994 0 13203 DPE 110 DPPE O11 OSL -0.570000 15.9994 0 13204 DPE 110 DPPE O12 OSL -0.570000 15.9994 0 13205 DPE 110 DPPE C1 CTL2 -0.080000 12.0110 0 13206 DPE 110 DPPE HA HAL2 0.090000 1.0080 0 13207 DPE 110 DPPE HB HAL2 0.090000 1.0080 0 13208 DPE 110 DPPE C2 CTL1 0.040000 12.0110 0 13209 DPE 110 DPPE HS HAL1 0.090000 1.0080 0 13210 DPE 110 DPPE O21 OSL -0.340000 15.9994 0 13211 DPE 110 DPPE C21 CL 0.630000 12.0110 0 13212 DPE 110 DPPE O22 OBL -0.520000 15.9994 0 13213 DPE 110 DPPE C22 CTL2 -0.080000 12.0110 0 13214 DPE 110 DPPE H2R HAL2 0.090000 1.0080 0 13215 DPE 110 DPPE H2S HAL2 0.090000 1.0080 0 13216 DPE 110 DPPE C3 CTL2 -0.050000 12.0110 0 13217 DPE 110 DPPE HX HAL2 0.090000 1.0080 0 13218 DPE 110 DPPE HY HAL2 0.090000 1.0080 0 13219 DPE 110 DPPE O31 OSL -0.340000 15.9994 0 13220 DPE 110 DPPE C31 CL 0.630000 12.0110 0 13221 DPE 110 DPPE O32 OBL -0.520000 15.9994 0 13222 DPE 110 DPPE C32 CTL2 -0.080000 12.0110 0 13223 DPE 110 DPPE H2X HAL2 0.090000 1.0080 0 13224 DPE 110 DPPE H2Y HAL2 0.090000 1.0080 0 13225 DPE 110 DPPE C23 CTL2 -0.180000 12.0110 0 13226 DPE 110 DPPE H3R HAL2 0.090000 1.0080 0 13227 DPE 110 DPPE H3S HAL2 0.090000 1.0080 0 13228 DPE 110 DPPE C24 CTL2 -0.180000 12.0110 0 13229 DPE 110 DPPE H4R HAL2 0.090000 1.0080 0 13230 DPE 110 DPPE H4S HAL2 0.090000 1.0080 0 13231 DPE 110 DPPE C25 CTL2 -0.180000 12.0110 0 13232 DPE 110 DPPE H5R HAL2 0.090000 1.0080 0 13233 DPE 110 DPPE H5S HAL2 0.090000 1.0080 0 13234 DPE 110 DPPE C26 CTL2 -0.180000 12.0110 0 13235 DPE 110 DPPE H6R HAL2 0.090000 1.0080 0 13236 DPE 110 DPPE H6S HAL2 0.090000 1.0080 0 13237 DPE 110 DPPE C27 CTL2 -0.180000 12.0110 0 13238 DPE 110 DPPE H7R HAL2 0.090000 1.0080 0 13239 DPE 110 DPPE H7S HAL2 0.090000 1.0080 0 13240 DPE 110 DPPE C28 CTL2 -0.180000 12.0110 0 13241 DPE 110 DPPE H8R HAL2 0.090000 1.0080 0 13242 DPE 110 DPPE H8S HAL2 0.090000 1.0080 0 13243 DPE 110 DPPE C29 CTL2 -0.180000 12.0110 0 13244 DPE 110 DPPE H9R HAL2 0.090000 1.0080 0 13245 DPE 110 DPPE H9S HAL2 0.090000 1.0080 0 13246 DPE 110 DPPE C210 CTL2 -0.180000 12.0110 0 13247 DPE 110 DPPE H10R HAL2 0.090000 1.0080 0 13248 DPE 110 DPPE H10S HAL2 0.090000 1.0080 0 13249 DPE 110 DPPE C211 CTL2 -0.180000 12.0110 0 13250 DPE 110 DPPE H11R HAL2 0.090000 1.0080 0 13251 DPE 110 DPPE H11S HAL2 0.090000 1.0080 0 13252 DPE 110 DPPE C212 CTL2 -0.180000 12.0110 0 13253 DPE 110 DPPE H12R HAL2 0.090000 1.0080 0 13254 DPE 110 DPPE H12S HAL2 0.090000 1.0080 0 13255 DPE 110 DPPE C213 CTL2 -0.180000 12.0110 0 13256 DPE 110 DPPE H13R HAL2 0.090000 1.0080 0 13257 DPE 110 DPPE H13S HAL2 0.090000 1.0080 0 13258 DPE 110 DPPE C214 CTL2 -0.180000 12.0110 0 13259 DPE 110 DPPE H14R HAL2 0.090000 1.0080 0 13260 DPE 110 DPPE H14S HAL2 0.090000 1.0080 0 13261 DPE 110 DPPE C215 CTL2 -0.180000 12.0110 0 13262 DPE 110 DPPE H15R HAL2 0.090000 1.0080 0 13263 DPE 110 DPPE H15S HAL2 0.090000 1.0080 0 13264 DPE 110 DPPE C216 CTL3 -0.270000 12.0110 0 13265 DPE 110 DPPE H16R HAL3 0.090000 1.0080 0 13266 DPE 110 DPPE H16S HAL3 0.090000 1.0080 0 13267 DPE 110 DPPE H16T HAL3 0.090000 1.0080 0 13268 DPE 110 DPPE C33 CTL2 -0.180000 12.0110 0 13269 DPE 110 DPPE H3X HAL2 0.090000 1.0080 0 13270 DPE 110 DPPE H3Y HAL2 0.090000 1.0080 0 13271 DPE 110 DPPE C34 CTL2 -0.180000 12.0110 0 13272 DPE 110 DPPE H4X HAL2 0.090000 1.0080 0 13273 DPE 110 DPPE H4Y HAL2 0.090000 1.0080 0 13274 DPE 110 DPPE C35 CTL2 -0.180000 12.0110 0 13275 DPE 110 DPPE H5X HAL2 0.090000 1.0080 0 13276 DPE 110 DPPE H5Y HAL2 0.090000 1.0080 0 13277 DPE 110 DPPE C36 CTL2 -0.180000 12.0110 0 13278 DPE 110 DPPE H6X HAL2 0.090000 1.0080 0 13279 DPE 110 DPPE H6Y HAL2 0.090000 1.0080 0 13280 DPE 110 DPPE C37 CTL2 -0.180000 12.0110 0 13281 DPE 110 DPPE H7X HAL2 0.090000 1.0080 0 13282 DPE 110 DPPE H7Y HAL2 0.090000 1.0080 0 13283 DPE 110 DPPE C38 CTL2 -0.180000 12.0110 0 13284 DPE 110 DPPE H8X HAL2 0.090000 1.0080 0 13285 DPE 110 DPPE H8Y HAL2 0.090000 1.0080 0 13286 DPE 110 DPPE C39 CTL2 -0.180000 12.0110 0 13287 DPE 110 DPPE H9X HAL2 0.090000 1.0080 0 13288 DPE 110 DPPE H9Y HAL2 0.090000 1.0080 0 13289 DPE 110 DPPE C310 CTL2 -0.180000 12.0110 0 13290 DPE 110 DPPE H10X HAL2 0.090000 1.0080 0 13291 DPE 110 DPPE H10Y HAL2 0.090000 1.0080 0 13292 DPE 110 DPPE C311 CTL2 -0.180000 12.0110 0 13293 DPE 110 DPPE H11X HAL2 0.090000 1.0080 0 13294 DPE 110 DPPE H11Y HAL2 0.090000 1.0080 0 13295 DPE 110 DPPE C312 CTL2 -0.180000 12.0110 0 13296 DPE 110 DPPE H12X HAL2 0.090000 1.0080 0 13297 DPE 110 DPPE H12Y HAL2 0.090000 1.0080 0 13298 DPE 110 DPPE C313 CTL2 -0.180000 12.0110 0 13299 DPE 110 DPPE H13X HAL2 0.090000 1.0080 0 13300 DPE 110 DPPE H13Y HAL2 0.090000 1.0080 0 13301 DPE 110 DPPE C314 CTL2 -0.180000 12.0110 0 13302 DPE 110 DPPE H14X HAL2 0.090000 1.0080 0 13303 DPE 110 DPPE H14Y HAL2 0.090000 1.0080 0 13304 DPE 110 DPPE C315 CTL2 -0.180000 12.0110 0 13305 DPE 110 DPPE H15X HAL2 0.090000 1.0080 0 13306 DPE 110 DPPE H15Y HAL2 0.090000 1.0080 0 13307 DPE 110 DPPE C316 CTL3 -0.270000 12.0110 0 13308 DPE 110 DPPE H16X HAL3 0.090000 1.0080 0 13309 DPE 110 DPPE H16Y HAL3 0.090000 1.0080 0 13310 DPE 110 DPPE H16Z HAL3 0.090000 1.0080 0 13311 DPE 111 DPPE N NH3L -0.300000 14.0070 0 13312 DPE 111 DPPE HN1 HCL 0.330000 1.0080 0 13313 DPE 111 DPPE HN2 HCL 0.330000 1.0080 0 13314 DPE 111 DPPE HN3 HCL 0.330000 1.0080 0 13315 DPE 111 DPPE C12 CTL2 0.130000 12.0110 0 13316 DPE 111 DPPE H12A HAL2 0.090000 1.0080 0 13317 DPE 111 DPPE H12B HAL2 0.090000 1.0080 0 13318 DPE 111 DPPE C11 CTL2 -0.080000 12.0110 0 13319 DPE 111 DPPE H11A HAL2 0.090000 1.0080 0 13320 DPE 111 DPPE H11B HAL2 0.090000 1.0080 0 13321 DPE 111 DPPE P PL 1.500000 30.9740 0 13322 DPE 111 DPPE O13 O2L -0.780000 15.9994 0 13323 DPE 111 DPPE O14 O2L -0.780000 15.9994 0 13324 DPE 111 DPPE O11 OSL -0.570000 15.9994 0 13325 DPE 111 DPPE O12 OSL -0.570000 15.9994 0 13326 DPE 111 DPPE C1 CTL2 -0.080000 12.0110 0 13327 DPE 111 DPPE HA HAL2 0.090000 1.0080 0 13328 DPE 111 DPPE HB HAL2 0.090000 1.0080 0 13329 DPE 111 DPPE C2 CTL1 0.040000 12.0110 0 13330 DPE 111 DPPE HS HAL1 0.090000 1.0080 0 13331 DPE 111 DPPE O21 OSL -0.340000 15.9994 0 13332 DPE 111 DPPE C21 CL 0.630000 12.0110 0 13333 DPE 111 DPPE O22 OBL -0.520000 15.9994 0 13334 DPE 111 DPPE C22 CTL2 -0.080000 12.0110 0 13335 DPE 111 DPPE H2R HAL2 0.090000 1.0080 0 13336 DPE 111 DPPE H2S HAL2 0.090000 1.0080 0 13337 DPE 111 DPPE C3 CTL2 -0.050000 12.0110 0 13338 DPE 111 DPPE HX HAL2 0.090000 1.0080 0 13339 DPE 111 DPPE HY HAL2 0.090000 1.0080 0 13340 DPE 111 DPPE O31 OSL -0.340000 15.9994 0 13341 DPE 111 DPPE C31 CL 0.630000 12.0110 0 13342 DPE 111 DPPE O32 OBL -0.520000 15.9994 0 13343 DPE 111 DPPE C32 CTL2 -0.080000 12.0110 0 13344 DPE 111 DPPE H2X HAL2 0.090000 1.0080 0 13345 DPE 111 DPPE H2Y HAL2 0.090000 1.0080 0 13346 DPE 111 DPPE C23 CTL2 -0.180000 12.0110 0 13347 DPE 111 DPPE H3R HAL2 0.090000 1.0080 0 13348 DPE 111 DPPE H3S HAL2 0.090000 1.0080 0 13349 DPE 111 DPPE C24 CTL2 -0.180000 12.0110 0 13350 DPE 111 DPPE H4R HAL2 0.090000 1.0080 0 13351 DPE 111 DPPE H4S HAL2 0.090000 1.0080 0 13352 DPE 111 DPPE C25 CTL2 -0.180000 12.0110 0 13353 DPE 111 DPPE H5R HAL2 0.090000 1.0080 0 13354 DPE 111 DPPE H5S HAL2 0.090000 1.0080 0 13355 DPE 111 DPPE C26 CTL2 -0.180000 12.0110 0 13356 DPE 111 DPPE H6R HAL2 0.090000 1.0080 0 13357 DPE 111 DPPE H6S HAL2 0.090000 1.0080 0 13358 DPE 111 DPPE C27 CTL2 -0.180000 12.0110 0 13359 DPE 111 DPPE H7R HAL2 0.090000 1.0080 0 13360 DPE 111 DPPE H7S HAL2 0.090000 1.0080 0 13361 DPE 111 DPPE C28 CTL2 -0.180000 12.0110 0 13362 DPE 111 DPPE H8R HAL2 0.090000 1.0080 0 13363 DPE 111 DPPE H8S HAL2 0.090000 1.0080 0 13364 DPE 111 DPPE C29 CTL2 -0.180000 12.0110 0 13365 DPE 111 DPPE H9R HAL2 0.090000 1.0080 0 13366 DPE 111 DPPE H9S HAL2 0.090000 1.0080 0 13367 DPE 111 DPPE C210 CTL2 -0.180000 12.0110 0 13368 DPE 111 DPPE H10R HAL2 0.090000 1.0080 0 13369 DPE 111 DPPE H10S HAL2 0.090000 1.0080 0 13370 DPE 111 DPPE C211 CTL2 -0.180000 12.0110 0 13371 DPE 111 DPPE H11R HAL2 0.090000 1.0080 0 13372 DPE 111 DPPE H11S HAL2 0.090000 1.0080 0 13373 DPE 111 DPPE C212 CTL2 -0.180000 12.0110 0 13374 DPE 111 DPPE H12R HAL2 0.090000 1.0080 0 13375 DPE 111 DPPE H12S HAL2 0.090000 1.0080 0 13376 DPE 111 DPPE C213 CTL2 -0.180000 12.0110 0 13377 DPE 111 DPPE H13R HAL2 0.090000 1.0080 0 13378 DPE 111 DPPE H13S HAL2 0.090000 1.0080 0 13379 DPE 111 DPPE C214 CTL2 -0.180000 12.0110 0 13380 DPE 111 DPPE H14R HAL2 0.090000 1.0080 0 13381 DPE 111 DPPE H14S HAL2 0.090000 1.0080 0 13382 DPE 111 DPPE C215 CTL2 -0.180000 12.0110 0 13383 DPE 111 DPPE H15R HAL2 0.090000 1.0080 0 13384 DPE 111 DPPE H15S HAL2 0.090000 1.0080 0 13385 DPE 111 DPPE C216 CTL3 -0.270000 12.0110 0 13386 DPE 111 DPPE H16R HAL3 0.090000 1.0080 0 13387 DPE 111 DPPE H16S HAL3 0.090000 1.0080 0 13388 DPE 111 DPPE H16T HAL3 0.090000 1.0080 0 13389 DPE 111 DPPE C33 CTL2 -0.180000 12.0110 0 13390 DPE 111 DPPE H3X HAL2 0.090000 1.0080 0 13391 DPE 111 DPPE H3Y HAL2 0.090000 1.0080 0 13392 DPE 111 DPPE C34 CTL2 -0.180000 12.0110 0 13393 DPE 111 DPPE H4X HAL2 0.090000 1.0080 0 13394 DPE 111 DPPE H4Y HAL2 0.090000 1.0080 0 13395 DPE 111 DPPE C35 CTL2 -0.180000 12.0110 0 13396 DPE 111 DPPE H5X HAL2 0.090000 1.0080 0 13397 DPE 111 DPPE H5Y HAL2 0.090000 1.0080 0 13398 DPE 111 DPPE C36 CTL2 -0.180000 12.0110 0 13399 DPE 111 DPPE H6X HAL2 0.090000 1.0080 0 13400 DPE 111 DPPE H6Y HAL2 0.090000 1.0080 0 13401 DPE 111 DPPE C37 CTL2 -0.180000 12.0110 0 13402 DPE 111 DPPE H7X HAL2 0.090000 1.0080 0 13403 DPE 111 DPPE H7Y HAL2 0.090000 1.0080 0 13404 DPE 111 DPPE C38 CTL2 -0.180000 12.0110 0 13405 DPE 111 DPPE H8X HAL2 0.090000 1.0080 0 13406 DPE 111 DPPE H8Y HAL2 0.090000 1.0080 0 13407 DPE 111 DPPE C39 CTL2 -0.180000 12.0110 0 13408 DPE 111 DPPE H9X HAL2 0.090000 1.0080 0 13409 DPE 111 DPPE H9Y HAL2 0.090000 1.0080 0 13410 DPE 111 DPPE C310 CTL2 -0.180000 12.0110 0 13411 DPE 111 DPPE H10X HAL2 0.090000 1.0080 0 13412 DPE 111 DPPE H10Y HAL2 0.090000 1.0080 0 13413 DPE 111 DPPE C311 CTL2 -0.180000 12.0110 0 13414 DPE 111 DPPE H11X HAL2 0.090000 1.0080 0 13415 DPE 111 DPPE H11Y HAL2 0.090000 1.0080 0 13416 DPE 111 DPPE C312 CTL2 -0.180000 12.0110 0 13417 DPE 111 DPPE H12X HAL2 0.090000 1.0080 0 13418 DPE 111 DPPE H12Y HAL2 0.090000 1.0080 0 13419 DPE 111 DPPE C313 CTL2 -0.180000 12.0110 0 13420 DPE 111 DPPE H13X HAL2 0.090000 1.0080 0 13421 DPE 111 DPPE H13Y HAL2 0.090000 1.0080 0 13422 DPE 111 DPPE C314 CTL2 -0.180000 12.0110 0 13423 DPE 111 DPPE H14X HAL2 0.090000 1.0080 0 13424 DPE 111 DPPE H14Y HAL2 0.090000 1.0080 0 13425 DPE 111 DPPE C315 CTL2 -0.180000 12.0110 0 13426 DPE 111 DPPE H15X HAL2 0.090000 1.0080 0 13427 DPE 111 DPPE H15Y HAL2 0.090000 1.0080 0 13428 DPE 111 DPPE C316 CTL3 -0.270000 12.0110 0 13429 DPE 111 DPPE H16X HAL3 0.090000 1.0080 0 13430 DPE 111 DPPE H16Y HAL3 0.090000 1.0080 0 13431 DPE 111 DPPE H16Z HAL3 0.090000 1.0080 0 13432 DPE 112 DPPE N NH3L -0.300000 14.0070 0 13433 DPE 112 DPPE HN1 HCL 0.330000 1.0080 0 13434 DPE 112 DPPE HN2 HCL 0.330000 1.0080 0 13435 DPE 112 DPPE HN3 HCL 0.330000 1.0080 0 13436 DPE 112 DPPE C12 CTL2 0.130000 12.0110 0 13437 DPE 112 DPPE H12A HAL2 0.090000 1.0080 0 13438 DPE 112 DPPE H12B HAL2 0.090000 1.0080 0 13439 DPE 112 DPPE C11 CTL2 -0.080000 12.0110 0 13440 DPE 112 DPPE H11A HAL2 0.090000 1.0080 0 13441 DPE 112 DPPE H11B HAL2 0.090000 1.0080 0 13442 DPE 112 DPPE P PL 1.500000 30.9740 0 13443 DPE 112 DPPE O13 O2L -0.780000 15.9994 0 13444 DPE 112 DPPE O14 O2L -0.780000 15.9994 0 13445 DPE 112 DPPE O11 OSL -0.570000 15.9994 0 13446 DPE 112 DPPE O12 OSL -0.570000 15.9994 0 13447 DPE 112 DPPE C1 CTL2 -0.080000 12.0110 0 13448 DPE 112 DPPE HA HAL2 0.090000 1.0080 0 13449 DPE 112 DPPE HB HAL2 0.090000 1.0080 0 13450 DPE 112 DPPE C2 CTL1 0.040000 12.0110 0 13451 DPE 112 DPPE HS HAL1 0.090000 1.0080 0 13452 DPE 112 DPPE O21 OSL -0.340000 15.9994 0 13453 DPE 112 DPPE C21 CL 0.630000 12.0110 0 13454 DPE 112 DPPE O22 OBL -0.520000 15.9994 0 13455 DPE 112 DPPE C22 CTL2 -0.080000 12.0110 0 13456 DPE 112 DPPE H2R HAL2 0.090000 1.0080 0 13457 DPE 112 DPPE H2S HAL2 0.090000 1.0080 0 13458 DPE 112 DPPE C3 CTL2 -0.050000 12.0110 0 13459 DPE 112 DPPE HX HAL2 0.090000 1.0080 0 13460 DPE 112 DPPE HY HAL2 0.090000 1.0080 0 13461 DPE 112 DPPE O31 OSL -0.340000 15.9994 0 13462 DPE 112 DPPE C31 CL 0.630000 12.0110 0 13463 DPE 112 DPPE O32 OBL -0.520000 15.9994 0 13464 DPE 112 DPPE C32 CTL2 -0.080000 12.0110 0 13465 DPE 112 DPPE H2X HAL2 0.090000 1.0080 0 13466 DPE 112 DPPE H2Y HAL2 0.090000 1.0080 0 13467 DPE 112 DPPE C23 CTL2 -0.180000 12.0110 0 13468 DPE 112 DPPE H3R HAL2 0.090000 1.0080 0 13469 DPE 112 DPPE H3S HAL2 0.090000 1.0080 0 13470 DPE 112 DPPE C24 CTL2 -0.180000 12.0110 0 13471 DPE 112 DPPE H4R HAL2 0.090000 1.0080 0 13472 DPE 112 DPPE H4S HAL2 0.090000 1.0080 0 13473 DPE 112 DPPE C25 CTL2 -0.180000 12.0110 0 13474 DPE 112 DPPE H5R HAL2 0.090000 1.0080 0 13475 DPE 112 DPPE H5S HAL2 0.090000 1.0080 0 13476 DPE 112 DPPE C26 CTL2 -0.180000 12.0110 0 13477 DPE 112 DPPE H6R HAL2 0.090000 1.0080 0 13478 DPE 112 DPPE H6S HAL2 0.090000 1.0080 0 13479 DPE 112 DPPE C27 CTL2 -0.180000 12.0110 0 13480 DPE 112 DPPE H7R HAL2 0.090000 1.0080 0 13481 DPE 112 DPPE H7S HAL2 0.090000 1.0080 0 13482 DPE 112 DPPE C28 CTL2 -0.180000 12.0110 0 13483 DPE 112 DPPE H8R HAL2 0.090000 1.0080 0 13484 DPE 112 DPPE H8S HAL2 0.090000 1.0080 0 13485 DPE 112 DPPE C29 CTL2 -0.180000 12.0110 0 13486 DPE 112 DPPE H9R HAL2 0.090000 1.0080 0 13487 DPE 112 DPPE H9S HAL2 0.090000 1.0080 0 13488 DPE 112 DPPE C210 CTL2 -0.180000 12.0110 0 13489 DPE 112 DPPE H10R HAL2 0.090000 1.0080 0 13490 DPE 112 DPPE H10S HAL2 0.090000 1.0080 0 13491 DPE 112 DPPE C211 CTL2 -0.180000 12.0110 0 13492 DPE 112 DPPE H11R HAL2 0.090000 1.0080 0 13493 DPE 112 DPPE H11S HAL2 0.090000 1.0080 0 13494 DPE 112 DPPE C212 CTL2 -0.180000 12.0110 0 13495 DPE 112 DPPE H12R HAL2 0.090000 1.0080 0 13496 DPE 112 DPPE H12S HAL2 0.090000 1.0080 0 13497 DPE 112 DPPE C213 CTL2 -0.180000 12.0110 0 13498 DPE 112 DPPE H13R HAL2 0.090000 1.0080 0 13499 DPE 112 DPPE H13S HAL2 0.090000 1.0080 0 13500 DPE 112 DPPE C214 CTL2 -0.180000 12.0110 0 13501 DPE 112 DPPE H14R HAL2 0.090000 1.0080 0 13502 DPE 112 DPPE H14S HAL2 0.090000 1.0080 0 13503 DPE 112 DPPE C215 CTL2 -0.180000 12.0110 0 13504 DPE 112 DPPE H15R HAL2 0.090000 1.0080 0 13505 DPE 112 DPPE H15S HAL2 0.090000 1.0080 0 13506 DPE 112 DPPE C216 CTL3 -0.270000 12.0110 0 13507 DPE 112 DPPE H16R HAL3 0.090000 1.0080 0 13508 DPE 112 DPPE H16S HAL3 0.090000 1.0080 0 13509 DPE 112 DPPE H16T HAL3 0.090000 1.0080 0 13510 DPE 112 DPPE C33 CTL2 -0.180000 12.0110 0 13511 DPE 112 DPPE H3X HAL2 0.090000 1.0080 0 13512 DPE 112 DPPE H3Y HAL2 0.090000 1.0080 0 13513 DPE 112 DPPE C34 CTL2 -0.180000 12.0110 0 13514 DPE 112 DPPE H4X HAL2 0.090000 1.0080 0 13515 DPE 112 DPPE H4Y HAL2 0.090000 1.0080 0 13516 DPE 112 DPPE C35 CTL2 -0.180000 12.0110 0 13517 DPE 112 DPPE H5X HAL2 0.090000 1.0080 0 13518 DPE 112 DPPE H5Y HAL2 0.090000 1.0080 0 13519 DPE 112 DPPE C36 CTL2 -0.180000 12.0110 0 13520 DPE 112 DPPE H6X HAL2 0.090000 1.0080 0 13521 DPE 112 DPPE H6Y HAL2 0.090000 1.0080 0 13522 DPE 112 DPPE C37 CTL2 -0.180000 12.0110 0 13523 DPE 112 DPPE H7X HAL2 0.090000 1.0080 0 13524 DPE 112 DPPE H7Y HAL2 0.090000 1.0080 0 13525 DPE 112 DPPE C38 CTL2 -0.180000 12.0110 0 13526 DPE 112 DPPE H8X HAL2 0.090000 1.0080 0 13527 DPE 112 DPPE H8Y HAL2 0.090000 1.0080 0 13528 DPE 112 DPPE C39 CTL2 -0.180000 12.0110 0 13529 DPE 112 DPPE H9X HAL2 0.090000 1.0080 0 13530 DPE 112 DPPE H9Y HAL2 0.090000 1.0080 0 13531 DPE 112 DPPE C310 CTL2 -0.180000 12.0110 0 13532 DPE 112 DPPE H10X HAL2 0.090000 1.0080 0 13533 DPE 112 DPPE H10Y HAL2 0.090000 1.0080 0 13534 DPE 112 DPPE C311 CTL2 -0.180000 12.0110 0 13535 DPE 112 DPPE H11X HAL2 0.090000 1.0080 0 13536 DPE 112 DPPE H11Y HAL2 0.090000 1.0080 0 13537 DPE 112 DPPE C312 CTL2 -0.180000 12.0110 0 13538 DPE 112 DPPE H12X HAL2 0.090000 1.0080 0 13539 DPE 112 DPPE H12Y HAL2 0.090000 1.0080 0 13540 DPE 112 DPPE C313 CTL2 -0.180000 12.0110 0 13541 DPE 112 DPPE H13X HAL2 0.090000 1.0080 0 13542 DPE 112 DPPE H13Y HAL2 0.090000 1.0080 0 13543 DPE 112 DPPE C314 CTL2 -0.180000 12.0110 0 13544 DPE 112 DPPE H14X HAL2 0.090000 1.0080 0 13545 DPE 112 DPPE H14Y HAL2 0.090000 1.0080 0 13546 DPE 112 DPPE C315 CTL2 -0.180000 12.0110 0 13547 DPE 112 DPPE H15X HAL2 0.090000 1.0080 0 13548 DPE 112 DPPE H15Y HAL2 0.090000 1.0080 0 13549 DPE 112 DPPE C316 CTL3 -0.270000 12.0110 0 13550 DPE 112 DPPE H16X HAL3 0.090000 1.0080 0 13551 DPE 112 DPPE H16Y HAL3 0.090000 1.0080 0 13552 DPE 112 DPPE H16Z HAL3 0.090000 1.0080 0 13553 DPE 113 DPPE N NH3L -0.300000 14.0070 0 13554 DPE 113 DPPE HN1 HCL 0.330000 1.0080 0 13555 DPE 113 DPPE HN2 HCL 0.330000 1.0080 0 13556 DPE 113 DPPE HN3 HCL 0.330000 1.0080 0 13557 DPE 113 DPPE C12 CTL2 0.130000 12.0110 0 13558 DPE 113 DPPE H12A HAL2 0.090000 1.0080 0 13559 DPE 113 DPPE H12B HAL2 0.090000 1.0080 0 13560 DPE 113 DPPE C11 CTL2 -0.080000 12.0110 0 13561 DPE 113 DPPE H11A HAL2 0.090000 1.0080 0 13562 DPE 113 DPPE H11B HAL2 0.090000 1.0080 0 13563 DPE 113 DPPE P PL 1.500000 30.9740 0 13564 DPE 113 DPPE O13 O2L -0.780000 15.9994 0 13565 DPE 113 DPPE O14 O2L -0.780000 15.9994 0 13566 DPE 113 DPPE O11 OSL -0.570000 15.9994 0 13567 DPE 113 DPPE O12 OSL -0.570000 15.9994 0 13568 DPE 113 DPPE C1 CTL2 -0.080000 12.0110 0 13569 DPE 113 DPPE HA HAL2 0.090000 1.0080 0 13570 DPE 113 DPPE HB HAL2 0.090000 1.0080 0 13571 DPE 113 DPPE C2 CTL1 0.040000 12.0110 0 13572 DPE 113 DPPE HS HAL1 0.090000 1.0080 0 13573 DPE 113 DPPE O21 OSL -0.340000 15.9994 0 13574 DPE 113 DPPE C21 CL 0.630000 12.0110 0 13575 DPE 113 DPPE O22 OBL -0.520000 15.9994 0 13576 DPE 113 DPPE C22 CTL2 -0.080000 12.0110 0 13577 DPE 113 DPPE H2R HAL2 0.090000 1.0080 0 13578 DPE 113 DPPE H2S HAL2 0.090000 1.0080 0 13579 DPE 113 DPPE C3 CTL2 -0.050000 12.0110 0 13580 DPE 113 DPPE HX HAL2 0.090000 1.0080 0 13581 DPE 113 DPPE HY HAL2 0.090000 1.0080 0 13582 DPE 113 DPPE O31 OSL -0.340000 15.9994 0 13583 DPE 113 DPPE C31 CL 0.630000 12.0110 0 13584 DPE 113 DPPE O32 OBL -0.520000 15.9994 0 13585 DPE 113 DPPE C32 CTL2 -0.080000 12.0110 0 13586 DPE 113 DPPE H2X HAL2 0.090000 1.0080 0 13587 DPE 113 DPPE H2Y HAL2 0.090000 1.0080 0 13588 DPE 113 DPPE C23 CTL2 -0.180000 12.0110 0 13589 DPE 113 DPPE H3R HAL2 0.090000 1.0080 0 13590 DPE 113 DPPE H3S HAL2 0.090000 1.0080 0 13591 DPE 113 DPPE C24 CTL2 -0.180000 12.0110 0 13592 DPE 113 DPPE H4R HAL2 0.090000 1.0080 0 13593 DPE 113 DPPE H4S HAL2 0.090000 1.0080 0 13594 DPE 113 DPPE C25 CTL2 -0.180000 12.0110 0 13595 DPE 113 DPPE H5R HAL2 0.090000 1.0080 0 13596 DPE 113 DPPE H5S HAL2 0.090000 1.0080 0 13597 DPE 113 DPPE C26 CTL2 -0.180000 12.0110 0 13598 DPE 113 DPPE H6R HAL2 0.090000 1.0080 0 13599 DPE 113 DPPE H6S HAL2 0.090000 1.0080 0 13600 DPE 113 DPPE C27 CTL2 -0.180000 12.0110 0 13601 DPE 113 DPPE H7R HAL2 0.090000 1.0080 0 13602 DPE 113 DPPE H7S HAL2 0.090000 1.0080 0 13603 DPE 113 DPPE C28 CTL2 -0.180000 12.0110 0 13604 DPE 113 DPPE H8R HAL2 0.090000 1.0080 0 13605 DPE 113 DPPE H8S HAL2 0.090000 1.0080 0 13606 DPE 113 DPPE C29 CTL2 -0.180000 12.0110 0 13607 DPE 113 DPPE H9R HAL2 0.090000 1.0080 0 13608 DPE 113 DPPE H9S HAL2 0.090000 1.0080 0 13609 DPE 113 DPPE C210 CTL2 -0.180000 12.0110 0 13610 DPE 113 DPPE H10R HAL2 0.090000 1.0080 0 13611 DPE 113 DPPE H10S HAL2 0.090000 1.0080 0 13612 DPE 113 DPPE C211 CTL2 -0.180000 12.0110 0 13613 DPE 113 DPPE H11R HAL2 0.090000 1.0080 0 13614 DPE 113 DPPE H11S HAL2 0.090000 1.0080 0 13615 DPE 113 DPPE C212 CTL2 -0.180000 12.0110 0 13616 DPE 113 DPPE H12R HAL2 0.090000 1.0080 0 13617 DPE 113 DPPE H12S HAL2 0.090000 1.0080 0 13618 DPE 113 DPPE C213 CTL2 -0.180000 12.0110 0 13619 DPE 113 DPPE H13R HAL2 0.090000 1.0080 0 13620 DPE 113 DPPE H13S HAL2 0.090000 1.0080 0 13621 DPE 113 DPPE C214 CTL2 -0.180000 12.0110 0 13622 DPE 113 DPPE H14R HAL2 0.090000 1.0080 0 13623 DPE 113 DPPE H14S HAL2 0.090000 1.0080 0 13624 DPE 113 DPPE C215 CTL2 -0.180000 12.0110 0 13625 DPE 113 DPPE H15R HAL2 0.090000 1.0080 0 13626 DPE 113 DPPE H15S HAL2 0.090000 1.0080 0 13627 DPE 113 DPPE C216 CTL3 -0.270000 12.0110 0 13628 DPE 113 DPPE H16R HAL3 0.090000 1.0080 0 13629 DPE 113 DPPE H16S HAL3 0.090000 1.0080 0 13630 DPE 113 DPPE H16T HAL3 0.090000 1.0080 0 13631 DPE 113 DPPE C33 CTL2 -0.180000 12.0110 0 13632 DPE 113 DPPE H3X HAL2 0.090000 1.0080 0 13633 DPE 113 DPPE H3Y HAL2 0.090000 1.0080 0 13634 DPE 113 DPPE C34 CTL2 -0.180000 12.0110 0 13635 DPE 113 DPPE H4X HAL2 0.090000 1.0080 0 13636 DPE 113 DPPE H4Y HAL2 0.090000 1.0080 0 13637 DPE 113 DPPE C35 CTL2 -0.180000 12.0110 0 13638 DPE 113 DPPE H5X HAL2 0.090000 1.0080 0 13639 DPE 113 DPPE H5Y HAL2 0.090000 1.0080 0 13640 DPE 113 DPPE C36 CTL2 -0.180000 12.0110 0 13641 DPE 113 DPPE H6X HAL2 0.090000 1.0080 0 13642 DPE 113 DPPE H6Y HAL2 0.090000 1.0080 0 13643 DPE 113 DPPE C37 CTL2 -0.180000 12.0110 0 13644 DPE 113 DPPE H7X HAL2 0.090000 1.0080 0 13645 DPE 113 DPPE H7Y HAL2 0.090000 1.0080 0 13646 DPE 113 DPPE C38 CTL2 -0.180000 12.0110 0 13647 DPE 113 DPPE H8X HAL2 0.090000 1.0080 0 13648 DPE 113 DPPE H8Y HAL2 0.090000 1.0080 0 13649 DPE 113 DPPE C39 CTL2 -0.180000 12.0110 0 13650 DPE 113 DPPE H9X HAL2 0.090000 1.0080 0 13651 DPE 113 DPPE H9Y HAL2 0.090000 1.0080 0 13652 DPE 113 DPPE C310 CTL2 -0.180000 12.0110 0 13653 DPE 113 DPPE H10X HAL2 0.090000 1.0080 0 13654 DPE 113 DPPE H10Y HAL2 0.090000 1.0080 0 13655 DPE 113 DPPE C311 CTL2 -0.180000 12.0110 0 13656 DPE 113 DPPE H11X HAL2 0.090000 1.0080 0 13657 DPE 113 DPPE H11Y HAL2 0.090000 1.0080 0 13658 DPE 113 DPPE C312 CTL2 -0.180000 12.0110 0 13659 DPE 113 DPPE H12X HAL2 0.090000 1.0080 0 13660 DPE 113 DPPE H12Y HAL2 0.090000 1.0080 0 13661 DPE 113 DPPE C313 CTL2 -0.180000 12.0110 0 13662 DPE 113 DPPE H13X HAL2 0.090000 1.0080 0 13663 DPE 113 DPPE H13Y HAL2 0.090000 1.0080 0 13664 DPE 113 DPPE C314 CTL2 -0.180000 12.0110 0 13665 DPE 113 DPPE H14X HAL2 0.090000 1.0080 0 13666 DPE 113 DPPE H14Y HAL2 0.090000 1.0080 0 13667 DPE 113 DPPE C315 CTL2 -0.180000 12.0110 0 13668 DPE 113 DPPE H15X HAL2 0.090000 1.0080 0 13669 DPE 113 DPPE H15Y HAL2 0.090000 1.0080 0 13670 DPE 113 DPPE C316 CTL3 -0.270000 12.0110 0 13671 DPE 113 DPPE H16X HAL3 0.090000 1.0080 0 13672 DPE 113 DPPE H16Y HAL3 0.090000 1.0080 0 13673 DPE 113 DPPE H16Z HAL3 0.090000 1.0080 0 13674 DPE 114 DPPE N NH3L -0.300000 14.0070 0 13675 DPE 114 DPPE HN1 HCL 0.330000 1.0080 0 13676 DPE 114 DPPE HN2 HCL 0.330000 1.0080 0 13677 DPE 114 DPPE HN3 HCL 0.330000 1.0080 0 13678 DPE 114 DPPE C12 CTL2 0.130000 12.0110 0 13679 DPE 114 DPPE H12A HAL2 0.090000 1.0080 0 13680 DPE 114 DPPE H12B HAL2 0.090000 1.0080 0 13681 DPE 114 DPPE C11 CTL2 -0.080000 12.0110 0 13682 DPE 114 DPPE H11A HAL2 0.090000 1.0080 0 13683 DPE 114 DPPE H11B HAL2 0.090000 1.0080 0 13684 DPE 114 DPPE P PL 1.500000 30.9740 0 13685 DPE 114 DPPE O13 O2L -0.780000 15.9994 0 13686 DPE 114 DPPE O14 O2L -0.780000 15.9994 0 13687 DPE 114 DPPE O11 OSL -0.570000 15.9994 0 13688 DPE 114 DPPE O12 OSL -0.570000 15.9994 0 13689 DPE 114 DPPE C1 CTL2 -0.080000 12.0110 0 13690 DPE 114 DPPE HA HAL2 0.090000 1.0080 0 13691 DPE 114 DPPE HB HAL2 0.090000 1.0080 0 13692 DPE 114 DPPE C2 CTL1 0.040000 12.0110 0 13693 DPE 114 DPPE HS HAL1 0.090000 1.0080 0 13694 DPE 114 DPPE O21 OSL -0.340000 15.9994 0 13695 DPE 114 DPPE C21 CL 0.630000 12.0110 0 13696 DPE 114 DPPE O22 OBL -0.520000 15.9994 0 13697 DPE 114 DPPE C22 CTL2 -0.080000 12.0110 0 13698 DPE 114 DPPE H2R HAL2 0.090000 1.0080 0 13699 DPE 114 DPPE H2S HAL2 0.090000 1.0080 0 13700 DPE 114 DPPE C3 CTL2 -0.050000 12.0110 0 13701 DPE 114 DPPE HX HAL2 0.090000 1.0080 0 13702 DPE 114 DPPE HY HAL2 0.090000 1.0080 0 13703 DPE 114 DPPE O31 OSL -0.340000 15.9994 0 13704 DPE 114 DPPE C31 CL 0.630000 12.0110 0 13705 DPE 114 DPPE O32 OBL -0.520000 15.9994 0 13706 DPE 114 DPPE C32 CTL2 -0.080000 12.0110 0 13707 DPE 114 DPPE H2X HAL2 0.090000 1.0080 0 13708 DPE 114 DPPE H2Y HAL2 0.090000 1.0080 0 13709 DPE 114 DPPE C23 CTL2 -0.180000 12.0110 0 13710 DPE 114 DPPE H3R HAL2 0.090000 1.0080 0 13711 DPE 114 DPPE H3S HAL2 0.090000 1.0080 0 13712 DPE 114 DPPE C24 CTL2 -0.180000 12.0110 0 13713 DPE 114 DPPE H4R HAL2 0.090000 1.0080 0 13714 DPE 114 DPPE H4S HAL2 0.090000 1.0080 0 13715 DPE 114 DPPE C25 CTL2 -0.180000 12.0110 0 13716 DPE 114 DPPE H5R HAL2 0.090000 1.0080 0 13717 DPE 114 DPPE H5S HAL2 0.090000 1.0080 0 13718 DPE 114 DPPE C26 CTL2 -0.180000 12.0110 0 13719 DPE 114 DPPE H6R HAL2 0.090000 1.0080 0 13720 DPE 114 DPPE H6S HAL2 0.090000 1.0080 0 13721 DPE 114 DPPE C27 CTL2 -0.180000 12.0110 0 13722 DPE 114 DPPE H7R HAL2 0.090000 1.0080 0 13723 DPE 114 DPPE H7S HAL2 0.090000 1.0080 0 13724 DPE 114 DPPE C28 CTL2 -0.180000 12.0110 0 13725 DPE 114 DPPE H8R HAL2 0.090000 1.0080 0 13726 DPE 114 DPPE H8S HAL2 0.090000 1.0080 0 13727 DPE 114 DPPE C29 CTL2 -0.180000 12.0110 0 13728 DPE 114 DPPE H9R HAL2 0.090000 1.0080 0 13729 DPE 114 DPPE H9S HAL2 0.090000 1.0080 0 13730 DPE 114 DPPE C210 CTL2 -0.180000 12.0110 0 13731 DPE 114 DPPE H10R HAL2 0.090000 1.0080 0 13732 DPE 114 DPPE H10S HAL2 0.090000 1.0080 0 13733 DPE 114 DPPE C211 CTL2 -0.180000 12.0110 0 13734 DPE 114 DPPE H11R HAL2 0.090000 1.0080 0 13735 DPE 114 DPPE H11S HAL2 0.090000 1.0080 0 13736 DPE 114 DPPE C212 CTL2 -0.180000 12.0110 0 13737 DPE 114 DPPE H12R HAL2 0.090000 1.0080 0 13738 DPE 114 DPPE H12S HAL2 0.090000 1.0080 0 13739 DPE 114 DPPE C213 CTL2 -0.180000 12.0110 0 13740 DPE 114 DPPE H13R HAL2 0.090000 1.0080 0 13741 DPE 114 DPPE H13S HAL2 0.090000 1.0080 0 13742 DPE 114 DPPE C214 CTL2 -0.180000 12.0110 0 13743 DPE 114 DPPE H14R HAL2 0.090000 1.0080 0 13744 DPE 114 DPPE H14S HAL2 0.090000 1.0080 0 13745 DPE 114 DPPE C215 CTL2 -0.180000 12.0110 0 13746 DPE 114 DPPE H15R HAL2 0.090000 1.0080 0 13747 DPE 114 DPPE H15S HAL2 0.090000 1.0080 0 13748 DPE 114 DPPE C216 CTL3 -0.270000 12.0110 0 13749 DPE 114 DPPE H16R HAL3 0.090000 1.0080 0 13750 DPE 114 DPPE H16S HAL3 0.090000 1.0080 0 13751 DPE 114 DPPE H16T HAL3 0.090000 1.0080 0 13752 DPE 114 DPPE C33 CTL2 -0.180000 12.0110 0 13753 DPE 114 DPPE H3X HAL2 0.090000 1.0080 0 13754 DPE 114 DPPE H3Y HAL2 0.090000 1.0080 0 13755 DPE 114 DPPE C34 CTL2 -0.180000 12.0110 0 13756 DPE 114 DPPE H4X HAL2 0.090000 1.0080 0 13757 DPE 114 DPPE H4Y HAL2 0.090000 1.0080 0 13758 DPE 114 DPPE C35 CTL2 -0.180000 12.0110 0 13759 DPE 114 DPPE H5X HAL2 0.090000 1.0080 0 13760 DPE 114 DPPE H5Y HAL2 0.090000 1.0080 0 13761 DPE 114 DPPE C36 CTL2 -0.180000 12.0110 0 13762 DPE 114 DPPE H6X HAL2 0.090000 1.0080 0 13763 DPE 114 DPPE H6Y HAL2 0.090000 1.0080 0 13764 DPE 114 DPPE C37 CTL2 -0.180000 12.0110 0 13765 DPE 114 DPPE H7X HAL2 0.090000 1.0080 0 13766 DPE 114 DPPE H7Y HAL2 0.090000 1.0080 0 13767 DPE 114 DPPE C38 CTL2 -0.180000 12.0110 0 13768 DPE 114 DPPE H8X HAL2 0.090000 1.0080 0 13769 DPE 114 DPPE H8Y HAL2 0.090000 1.0080 0 13770 DPE 114 DPPE C39 CTL2 -0.180000 12.0110 0 13771 DPE 114 DPPE H9X HAL2 0.090000 1.0080 0 13772 DPE 114 DPPE H9Y HAL2 0.090000 1.0080 0 13773 DPE 114 DPPE C310 CTL2 -0.180000 12.0110 0 13774 DPE 114 DPPE H10X HAL2 0.090000 1.0080 0 13775 DPE 114 DPPE H10Y HAL2 0.090000 1.0080 0 13776 DPE 114 DPPE C311 CTL2 -0.180000 12.0110 0 13777 DPE 114 DPPE H11X HAL2 0.090000 1.0080 0 13778 DPE 114 DPPE H11Y HAL2 0.090000 1.0080 0 13779 DPE 114 DPPE C312 CTL2 -0.180000 12.0110 0 13780 DPE 114 DPPE H12X HAL2 0.090000 1.0080 0 13781 DPE 114 DPPE H12Y HAL2 0.090000 1.0080 0 13782 DPE 114 DPPE C313 CTL2 -0.180000 12.0110 0 13783 DPE 114 DPPE H13X HAL2 0.090000 1.0080 0 13784 DPE 114 DPPE H13Y HAL2 0.090000 1.0080 0 13785 DPE 114 DPPE C314 CTL2 -0.180000 12.0110 0 13786 DPE 114 DPPE H14X HAL2 0.090000 1.0080 0 13787 DPE 114 DPPE H14Y HAL2 0.090000 1.0080 0 13788 DPE 114 DPPE C315 CTL2 -0.180000 12.0110 0 13789 DPE 114 DPPE H15X HAL2 0.090000 1.0080 0 13790 DPE 114 DPPE H15Y HAL2 0.090000 1.0080 0 13791 DPE 114 DPPE C316 CTL3 -0.270000 12.0110 0 13792 DPE 114 DPPE H16X HAL3 0.090000 1.0080 0 13793 DPE 114 DPPE H16Y HAL3 0.090000 1.0080 0 13794 DPE 114 DPPE H16Z HAL3 0.090000 1.0080 0 13795 DPE 115 DPPE N NH3L -0.300000 14.0070 0 13796 DPE 115 DPPE HN1 HCL 0.330000 1.0080 0 13797 DPE 115 DPPE HN2 HCL 0.330000 1.0080 0 13798 DPE 115 DPPE HN3 HCL 0.330000 1.0080 0 13799 DPE 115 DPPE C12 CTL2 0.130000 12.0110 0 13800 DPE 115 DPPE H12A HAL2 0.090000 1.0080 0 13801 DPE 115 DPPE H12B HAL2 0.090000 1.0080 0 13802 DPE 115 DPPE C11 CTL2 -0.080000 12.0110 0 13803 DPE 115 DPPE H11A HAL2 0.090000 1.0080 0 13804 DPE 115 DPPE H11B HAL2 0.090000 1.0080 0 13805 DPE 115 DPPE P PL 1.500000 30.9740 0 13806 DPE 115 DPPE O13 O2L -0.780000 15.9994 0 13807 DPE 115 DPPE O14 O2L -0.780000 15.9994 0 13808 DPE 115 DPPE O11 OSL -0.570000 15.9994 0 13809 DPE 115 DPPE O12 OSL -0.570000 15.9994 0 13810 DPE 115 DPPE C1 CTL2 -0.080000 12.0110 0 13811 DPE 115 DPPE HA HAL2 0.090000 1.0080 0 13812 DPE 115 DPPE HB HAL2 0.090000 1.0080 0 13813 DPE 115 DPPE C2 CTL1 0.040000 12.0110 0 13814 DPE 115 DPPE HS HAL1 0.090000 1.0080 0 13815 DPE 115 DPPE O21 OSL -0.340000 15.9994 0 13816 DPE 115 DPPE C21 CL 0.630000 12.0110 0 13817 DPE 115 DPPE O22 OBL -0.520000 15.9994 0 13818 DPE 115 DPPE C22 CTL2 -0.080000 12.0110 0 13819 DPE 115 DPPE H2R HAL2 0.090000 1.0080 0 13820 DPE 115 DPPE H2S HAL2 0.090000 1.0080 0 13821 DPE 115 DPPE C3 CTL2 -0.050000 12.0110 0 13822 DPE 115 DPPE HX HAL2 0.090000 1.0080 0 13823 DPE 115 DPPE HY HAL2 0.090000 1.0080 0 13824 DPE 115 DPPE O31 OSL -0.340000 15.9994 0 13825 DPE 115 DPPE C31 CL 0.630000 12.0110 0 13826 DPE 115 DPPE O32 OBL -0.520000 15.9994 0 13827 DPE 115 DPPE C32 CTL2 -0.080000 12.0110 0 13828 DPE 115 DPPE H2X HAL2 0.090000 1.0080 0 13829 DPE 115 DPPE H2Y HAL2 0.090000 1.0080 0 13830 DPE 115 DPPE C23 CTL2 -0.180000 12.0110 0 13831 DPE 115 DPPE H3R HAL2 0.090000 1.0080 0 13832 DPE 115 DPPE H3S HAL2 0.090000 1.0080 0 13833 DPE 115 DPPE C24 CTL2 -0.180000 12.0110 0 13834 DPE 115 DPPE H4R HAL2 0.090000 1.0080 0 13835 DPE 115 DPPE H4S HAL2 0.090000 1.0080 0 13836 DPE 115 DPPE C25 CTL2 -0.180000 12.0110 0 13837 DPE 115 DPPE H5R HAL2 0.090000 1.0080 0 13838 DPE 115 DPPE H5S HAL2 0.090000 1.0080 0 13839 DPE 115 DPPE C26 CTL2 -0.180000 12.0110 0 13840 DPE 115 DPPE H6R HAL2 0.090000 1.0080 0 13841 DPE 115 DPPE H6S HAL2 0.090000 1.0080 0 13842 DPE 115 DPPE C27 CTL2 -0.180000 12.0110 0 13843 DPE 115 DPPE H7R HAL2 0.090000 1.0080 0 13844 DPE 115 DPPE H7S HAL2 0.090000 1.0080 0 13845 DPE 115 DPPE C28 CTL2 -0.180000 12.0110 0 13846 DPE 115 DPPE H8R HAL2 0.090000 1.0080 0 13847 DPE 115 DPPE H8S HAL2 0.090000 1.0080 0 13848 DPE 115 DPPE C29 CTL2 -0.180000 12.0110 0 13849 DPE 115 DPPE H9R HAL2 0.090000 1.0080 0 13850 DPE 115 DPPE H9S HAL2 0.090000 1.0080 0 13851 DPE 115 DPPE C210 CTL2 -0.180000 12.0110 0 13852 DPE 115 DPPE H10R HAL2 0.090000 1.0080 0 13853 DPE 115 DPPE H10S HAL2 0.090000 1.0080 0 13854 DPE 115 DPPE C211 CTL2 -0.180000 12.0110 0 13855 DPE 115 DPPE H11R HAL2 0.090000 1.0080 0 13856 DPE 115 DPPE H11S HAL2 0.090000 1.0080 0 13857 DPE 115 DPPE C212 CTL2 -0.180000 12.0110 0 13858 DPE 115 DPPE H12R HAL2 0.090000 1.0080 0 13859 DPE 115 DPPE H12S HAL2 0.090000 1.0080 0 13860 DPE 115 DPPE C213 CTL2 -0.180000 12.0110 0 13861 DPE 115 DPPE H13R HAL2 0.090000 1.0080 0 13862 DPE 115 DPPE H13S HAL2 0.090000 1.0080 0 13863 DPE 115 DPPE C214 CTL2 -0.180000 12.0110 0 13864 DPE 115 DPPE H14R HAL2 0.090000 1.0080 0 13865 DPE 115 DPPE H14S HAL2 0.090000 1.0080 0 13866 DPE 115 DPPE C215 CTL2 -0.180000 12.0110 0 13867 DPE 115 DPPE H15R HAL2 0.090000 1.0080 0 13868 DPE 115 DPPE H15S HAL2 0.090000 1.0080 0 13869 DPE 115 DPPE C216 CTL3 -0.270000 12.0110 0 13870 DPE 115 DPPE H16R HAL3 0.090000 1.0080 0 13871 DPE 115 DPPE H16S HAL3 0.090000 1.0080 0 13872 DPE 115 DPPE H16T HAL3 0.090000 1.0080 0 13873 DPE 115 DPPE C33 CTL2 -0.180000 12.0110 0 13874 DPE 115 DPPE H3X HAL2 0.090000 1.0080 0 13875 DPE 115 DPPE H3Y HAL2 0.090000 1.0080 0 13876 DPE 115 DPPE C34 CTL2 -0.180000 12.0110 0 13877 DPE 115 DPPE H4X HAL2 0.090000 1.0080 0 13878 DPE 115 DPPE H4Y HAL2 0.090000 1.0080 0 13879 DPE 115 DPPE C35 CTL2 -0.180000 12.0110 0 13880 DPE 115 DPPE H5X HAL2 0.090000 1.0080 0 13881 DPE 115 DPPE H5Y HAL2 0.090000 1.0080 0 13882 DPE 115 DPPE C36 CTL2 -0.180000 12.0110 0 13883 DPE 115 DPPE H6X HAL2 0.090000 1.0080 0 13884 DPE 115 DPPE H6Y HAL2 0.090000 1.0080 0 13885 DPE 115 DPPE C37 CTL2 -0.180000 12.0110 0 13886 DPE 115 DPPE H7X HAL2 0.090000 1.0080 0 13887 DPE 115 DPPE H7Y HAL2 0.090000 1.0080 0 13888 DPE 115 DPPE C38 CTL2 -0.180000 12.0110 0 13889 DPE 115 DPPE H8X HAL2 0.090000 1.0080 0 13890 DPE 115 DPPE H8Y HAL2 0.090000 1.0080 0 13891 DPE 115 DPPE C39 CTL2 -0.180000 12.0110 0 13892 DPE 115 DPPE H9X HAL2 0.090000 1.0080 0 13893 DPE 115 DPPE H9Y HAL2 0.090000 1.0080 0 13894 DPE 115 DPPE C310 CTL2 -0.180000 12.0110 0 13895 DPE 115 DPPE H10X HAL2 0.090000 1.0080 0 13896 DPE 115 DPPE H10Y HAL2 0.090000 1.0080 0 13897 DPE 115 DPPE C311 CTL2 -0.180000 12.0110 0 13898 DPE 115 DPPE H11X HAL2 0.090000 1.0080 0 13899 DPE 115 DPPE H11Y HAL2 0.090000 1.0080 0 13900 DPE 115 DPPE C312 CTL2 -0.180000 12.0110 0 13901 DPE 115 DPPE H12X HAL2 0.090000 1.0080 0 13902 DPE 115 DPPE H12Y HAL2 0.090000 1.0080 0 13903 DPE 115 DPPE C313 CTL2 -0.180000 12.0110 0 13904 DPE 115 DPPE H13X HAL2 0.090000 1.0080 0 13905 DPE 115 DPPE H13Y HAL2 0.090000 1.0080 0 13906 DPE 115 DPPE C314 CTL2 -0.180000 12.0110 0 13907 DPE 115 DPPE H14X HAL2 0.090000 1.0080 0 13908 DPE 115 DPPE H14Y HAL2 0.090000 1.0080 0 13909 DPE 115 DPPE C315 CTL2 -0.180000 12.0110 0 13910 DPE 115 DPPE H15X HAL2 0.090000 1.0080 0 13911 DPE 115 DPPE H15Y HAL2 0.090000 1.0080 0 13912 DPE 115 DPPE C316 CTL3 -0.270000 12.0110 0 13913 DPE 115 DPPE H16X HAL3 0.090000 1.0080 0 13914 DPE 115 DPPE H16Y HAL3 0.090000 1.0080 0 13915 DPE 115 DPPE H16Z HAL3 0.090000 1.0080 0 13916 DPE 116 DPPE N NH3L -0.300000 14.0070 0 13917 DPE 116 DPPE HN1 HCL 0.330000 1.0080 0 13918 DPE 116 DPPE HN2 HCL 0.330000 1.0080 0 13919 DPE 116 DPPE HN3 HCL 0.330000 1.0080 0 13920 DPE 116 DPPE C12 CTL2 0.130000 12.0110 0 13921 DPE 116 DPPE H12A HAL2 0.090000 1.0080 0 13922 DPE 116 DPPE H12B HAL2 0.090000 1.0080 0 13923 DPE 116 DPPE C11 CTL2 -0.080000 12.0110 0 13924 DPE 116 DPPE H11A HAL2 0.090000 1.0080 0 13925 DPE 116 DPPE H11B HAL2 0.090000 1.0080 0 13926 DPE 116 DPPE P PL 1.500000 30.9740 0 13927 DPE 116 DPPE O13 O2L -0.780000 15.9994 0 13928 DPE 116 DPPE O14 O2L -0.780000 15.9994 0 13929 DPE 116 DPPE O11 OSL -0.570000 15.9994 0 13930 DPE 116 DPPE O12 OSL -0.570000 15.9994 0 13931 DPE 116 DPPE C1 CTL2 -0.080000 12.0110 0 13932 DPE 116 DPPE HA HAL2 0.090000 1.0080 0 13933 DPE 116 DPPE HB HAL2 0.090000 1.0080 0 13934 DPE 116 DPPE C2 CTL1 0.040000 12.0110 0 13935 DPE 116 DPPE HS HAL1 0.090000 1.0080 0 13936 DPE 116 DPPE O21 OSL -0.340000 15.9994 0 13937 DPE 116 DPPE C21 CL 0.630000 12.0110 0 13938 DPE 116 DPPE O22 OBL -0.520000 15.9994 0 13939 DPE 116 DPPE C22 CTL2 -0.080000 12.0110 0 13940 DPE 116 DPPE H2R HAL2 0.090000 1.0080 0 13941 DPE 116 DPPE H2S HAL2 0.090000 1.0080 0 13942 DPE 116 DPPE C3 CTL2 -0.050000 12.0110 0 13943 DPE 116 DPPE HX HAL2 0.090000 1.0080 0 13944 DPE 116 DPPE HY HAL2 0.090000 1.0080 0 13945 DPE 116 DPPE O31 OSL -0.340000 15.9994 0 13946 DPE 116 DPPE C31 CL 0.630000 12.0110 0 13947 DPE 116 DPPE O32 OBL -0.520000 15.9994 0 13948 DPE 116 DPPE C32 CTL2 -0.080000 12.0110 0 13949 DPE 116 DPPE H2X HAL2 0.090000 1.0080 0 13950 DPE 116 DPPE H2Y HAL2 0.090000 1.0080 0 13951 DPE 116 DPPE C23 CTL2 -0.180000 12.0110 0 13952 DPE 116 DPPE H3R HAL2 0.090000 1.0080 0 13953 DPE 116 DPPE H3S HAL2 0.090000 1.0080 0 13954 DPE 116 DPPE C24 CTL2 -0.180000 12.0110 0 13955 DPE 116 DPPE H4R HAL2 0.090000 1.0080 0 13956 DPE 116 DPPE H4S HAL2 0.090000 1.0080 0 13957 DPE 116 DPPE C25 CTL2 -0.180000 12.0110 0 13958 DPE 116 DPPE H5R HAL2 0.090000 1.0080 0 13959 DPE 116 DPPE H5S HAL2 0.090000 1.0080 0 13960 DPE 116 DPPE C26 CTL2 -0.180000 12.0110 0 13961 DPE 116 DPPE H6R HAL2 0.090000 1.0080 0 13962 DPE 116 DPPE H6S HAL2 0.090000 1.0080 0 13963 DPE 116 DPPE C27 CTL2 -0.180000 12.0110 0 13964 DPE 116 DPPE H7R HAL2 0.090000 1.0080 0 13965 DPE 116 DPPE H7S HAL2 0.090000 1.0080 0 13966 DPE 116 DPPE C28 CTL2 -0.180000 12.0110 0 13967 DPE 116 DPPE H8R HAL2 0.090000 1.0080 0 13968 DPE 116 DPPE H8S HAL2 0.090000 1.0080 0 13969 DPE 116 DPPE C29 CTL2 -0.180000 12.0110 0 13970 DPE 116 DPPE H9R HAL2 0.090000 1.0080 0 13971 DPE 116 DPPE H9S HAL2 0.090000 1.0080 0 13972 DPE 116 DPPE C210 CTL2 -0.180000 12.0110 0 13973 DPE 116 DPPE H10R HAL2 0.090000 1.0080 0 13974 DPE 116 DPPE H10S HAL2 0.090000 1.0080 0 13975 DPE 116 DPPE C211 CTL2 -0.180000 12.0110 0 13976 DPE 116 DPPE H11R HAL2 0.090000 1.0080 0 13977 DPE 116 DPPE H11S HAL2 0.090000 1.0080 0 13978 DPE 116 DPPE C212 CTL2 -0.180000 12.0110 0 13979 DPE 116 DPPE H12R HAL2 0.090000 1.0080 0 13980 DPE 116 DPPE H12S HAL2 0.090000 1.0080 0 13981 DPE 116 DPPE C213 CTL2 -0.180000 12.0110 0 13982 DPE 116 DPPE H13R HAL2 0.090000 1.0080 0 13983 DPE 116 DPPE H13S HAL2 0.090000 1.0080 0 13984 DPE 116 DPPE C214 CTL2 -0.180000 12.0110 0 13985 DPE 116 DPPE H14R HAL2 0.090000 1.0080 0 13986 DPE 116 DPPE H14S HAL2 0.090000 1.0080 0 13987 DPE 116 DPPE C215 CTL2 -0.180000 12.0110 0 13988 DPE 116 DPPE H15R HAL2 0.090000 1.0080 0 13989 DPE 116 DPPE H15S HAL2 0.090000 1.0080 0 13990 DPE 116 DPPE C216 CTL3 -0.270000 12.0110 0 13991 DPE 116 DPPE H16R HAL3 0.090000 1.0080 0 13992 DPE 116 DPPE H16S HAL3 0.090000 1.0080 0 13993 DPE 116 DPPE H16T HAL3 0.090000 1.0080 0 13994 DPE 116 DPPE C33 CTL2 -0.180000 12.0110 0 13995 DPE 116 DPPE H3X HAL2 0.090000 1.0080 0 13996 DPE 116 DPPE H3Y HAL2 0.090000 1.0080 0 13997 DPE 116 DPPE C34 CTL2 -0.180000 12.0110 0 13998 DPE 116 DPPE H4X HAL2 0.090000 1.0080 0 13999 DPE 116 DPPE H4Y HAL2 0.090000 1.0080 0 14000 DPE 116 DPPE C35 CTL2 -0.180000 12.0110 0 14001 DPE 116 DPPE H5X HAL2 0.090000 1.0080 0 14002 DPE 116 DPPE H5Y HAL2 0.090000 1.0080 0 14003 DPE 116 DPPE C36 CTL2 -0.180000 12.0110 0 14004 DPE 116 DPPE H6X HAL2 0.090000 1.0080 0 14005 DPE 116 DPPE H6Y HAL2 0.090000 1.0080 0 14006 DPE 116 DPPE C37 CTL2 -0.180000 12.0110 0 14007 DPE 116 DPPE H7X HAL2 0.090000 1.0080 0 14008 DPE 116 DPPE H7Y HAL2 0.090000 1.0080 0 14009 DPE 116 DPPE C38 CTL2 -0.180000 12.0110 0 14010 DPE 116 DPPE H8X HAL2 0.090000 1.0080 0 14011 DPE 116 DPPE H8Y HAL2 0.090000 1.0080 0 14012 DPE 116 DPPE C39 CTL2 -0.180000 12.0110 0 14013 DPE 116 DPPE H9X HAL2 0.090000 1.0080 0 14014 DPE 116 DPPE H9Y HAL2 0.090000 1.0080 0 14015 DPE 116 DPPE C310 CTL2 -0.180000 12.0110 0 14016 DPE 116 DPPE H10X HAL2 0.090000 1.0080 0 14017 DPE 116 DPPE H10Y HAL2 0.090000 1.0080 0 14018 DPE 116 DPPE C311 CTL2 -0.180000 12.0110 0 14019 DPE 116 DPPE H11X HAL2 0.090000 1.0080 0 14020 DPE 116 DPPE H11Y HAL2 0.090000 1.0080 0 14021 DPE 116 DPPE C312 CTL2 -0.180000 12.0110 0 14022 DPE 116 DPPE H12X HAL2 0.090000 1.0080 0 14023 DPE 116 DPPE H12Y HAL2 0.090000 1.0080 0 14024 DPE 116 DPPE C313 CTL2 -0.180000 12.0110 0 14025 DPE 116 DPPE H13X HAL2 0.090000 1.0080 0 14026 DPE 116 DPPE H13Y HAL2 0.090000 1.0080 0 14027 DPE 116 DPPE C314 CTL2 -0.180000 12.0110 0 14028 DPE 116 DPPE H14X HAL2 0.090000 1.0080 0 14029 DPE 116 DPPE H14Y HAL2 0.090000 1.0080 0 14030 DPE 116 DPPE C315 CTL2 -0.180000 12.0110 0 14031 DPE 116 DPPE H15X HAL2 0.090000 1.0080 0 14032 DPE 116 DPPE H15Y HAL2 0.090000 1.0080 0 14033 DPE 116 DPPE C316 CTL3 -0.270000 12.0110 0 14034 DPE 116 DPPE H16X HAL3 0.090000 1.0080 0 14035 DPE 116 DPPE H16Y HAL3 0.090000 1.0080 0 14036 DPE 116 DPPE H16Z HAL3 0.090000 1.0080 0 14037 DPE 117 DPPE N NH3L -0.300000 14.0070 0 14038 DPE 117 DPPE HN1 HCL 0.330000 1.0080 0 14039 DPE 117 DPPE HN2 HCL 0.330000 1.0080 0 14040 DPE 117 DPPE HN3 HCL 0.330000 1.0080 0 14041 DPE 117 DPPE C12 CTL2 0.130000 12.0110 0 14042 DPE 117 DPPE H12A HAL2 0.090000 1.0080 0 14043 DPE 117 DPPE H12B HAL2 0.090000 1.0080 0 14044 DPE 117 DPPE C11 CTL2 -0.080000 12.0110 0 14045 DPE 117 DPPE H11A HAL2 0.090000 1.0080 0 14046 DPE 117 DPPE H11B HAL2 0.090000 1.0080 0 14047 DPE 117 DPPE P PL 1.500000 30.9740 0 14048 DPE 117 DPPE O13 O2L -0.780000 15.9994 0 14049 DPE 117 DPPE O14 O2L -0.780000 15.9994 0 14050 DPE 117 DPPE O11 OSL -0.570000 15.9994 0 14051 DPE 117 DPPE O12 OSL -0.570000 15.9994 0 14052 DPE 117 DPPE C1 CTL2 -0.080000 12.0110 0 14053 DPE 117 DPPE HA HAL2 0.090000 1.0080 0 14054 DPE 117 DPPE HB HAL2 0.090000 1.0080 0 14055 DPE 117 DPPE C2 CTL1 0.040000 12.0110 0 14056 DPE 117 DPPE HS HAL1 0.090000 1.0080 0 14057 DPE 117 DPPE O21 OSL -0.340000 15.9994 0 14058 DPE 117 DPPE C21 CL 0.630000 12.0110 0 14059 DPE 117 DPPE O22 OBL -0.520000 15.9994 0 14060 DPE 117 DPPE C22 CTL2 -0.080000 12.0110 0 14061 DPE 117 DPPE H2R HAL2 0.090000 1.0080 0 14062 DPE 117 DPPE H2S HAL2 0.090000 1.0080 0 14063 DPE 117 DPPE C3 CTL2 -0.050000 12.0110 0 14064 DPE 117 DPPE HX HAL2 0.090000 1.0080 0 14065 DPE 117 DPPE HY HAL2 0.090000 1.0080 0 14066 DPE 117 DPPE O31 OSL -0.340000 15.9994 0 14067 DPE 117 DPPE C31 CL 0.630000 12.0110 0 14068 DPE 117 DPPE O32 OBL -0.520000 15.9994 0 14069 DPE 117 DPPE C32 CTL2 -0.080000 12.0110 0 14070 DPE 117 DPPE H2X HAL2 0.090000 1.0080 0 14071 DPE 117 DPPE H2Y HAL2 0.090000 1.0080 0 14072 DPE 117 DPPE C23 CTL2 -0.180000 12.0110 0 14073 DPE 117 DPPE H3R HAL2 0.090000 1.0080 0 14074 DPE 117 DPPE H3S HAL2 0.090000 1.0080 0 14075 DPE 117 DPPE C24 CTL2 -0.180000 12.0110 0 14076 DPE 117 DPPE H4R HAL2 0.090000 1.0080 0 14077 DPE 117 DPPE H4S HAL2 0.090000 1.0080 0 14078 DPE 117 DPPE C25 CTL2 -0.180000 12.0110 0 14079 DPE 117 DPPE H5R HAL2 0.090000 1.0080 0 14080 DPE 117 DPPE H5S HAL2 0.090000 1.0080 0 14081 DPE 117 DPPE C26 CTL2 -0.180000 12.0110 0 14082 DPE 117 DPPE H6R HAL2 0.090000 1.0080 0 14083 DPE 117 DPPE H6S HAL2 0.090000 1.0080 0 14084 DPE 117 DPPE C27 CTL2 -0.180000 12.0110 0 14085 DPE 117 DPPE H7R HAL2 0.090000 1.0080 0 14086 DPE 117 DPPE H7S HAL2 0.090000 1.0080 0 14087 DPE 117 DPPE C28 CTL2 -0.180000 12.0110 0 14088 DPE 117 DPPE H8R HAL2 0.090000 1.0080 0 14089 DPE 117 DPPE H8S HAL2 0.090000 1.0080 0 14090 DPE 117 DPPE C29 CTL2 -0.180000 12.0110 0 14091 DPE 117 DPPE H9R HAL2 0.090000 1.0080 0 14092 DPE 117 DPPE H9S HAL2 0.090000 1.0080 0 14093 DPE 117 DPPE C210 CTL2 -0.180000 12.0110 0 14094 DPE 117 DPPE H10R HAL2 0.090000 1.0080 0 14095 DPE 117 DPPE H10S HAL2 0.090000 1.0080 0 14096 DPE 117 DPPE C211 CTL2 -0.180000 12.0110 0 14097 DPE 117 DPPE H11R HAL2 0.090000 1.0080 0 14098 DPE 117 DPPE H11S HAL2 0.090000 1.0080 0 14099 DPE 117 DPPE C212 CTL2 -0.180000 12.0110 0 14100 DPE 117 DPPE H12R HAL2 0.090000 1.0080 0 14101 DPE 117 DPPE H12S HAL2 0.090000 1.0080 0 14102 DPE 117 DPPE C213 CTL2 -0.180000 12.0110 0 14103 DPE 117 DPPE H13R HAL2 0.090000 1.0080 0 14104 DPE 117 DPPE H13S HAL2 0.090000 1.0080 0 14105 DPE 117 DPPE C214 CTL2 -0.180000 12.0110 0 14106 DPE 117 DPPE H14R HAL2 0.090000 1.0080 0 14107 DPE 117 DPPE H14S HAL2 0.090000 1.0080 0 14108 DPE 117 DPPE C215 CTL2 -0.180000 12.0110 0 14109 DPE 117 DPPE H15R HAL2 0.090000 1.0080 0 14110 DPE 117 DPPE H15S HAL2 0.090000 1.0080 0 14111 DPE 117 DPPE C216 CTL3 -0.270000 12.0110 0 14112 DPE 117 DPPE H16R HAL3 0.090000 1.0080 0 14113 DPE 117 DPPE H16S HAL3 0.090000 1.0080 0 14114 DPE 117 DPPE H16T HAL3 0.090000 1.0080 0 14115 DPE 117 DPPE C33 CTL2 -0.180000 12.0110 0 14116 DPE 117 DPPE H3X HAL2 0.090000 1.0080 0 14117 DPE 117 DPPE H3Y HAL2 0.090000 1.0080 0 14118 DPE 117 DPPE C34 CTL2 -0.180000 12.0110 0 14119 DPE 117 DPPE H4X HAL2 0.090000 1.0080 0 14120 DPE 117 DPPE H4Y HAL2 0.090000 1.0080 0 14121 DPE 117 DPPE C35 CTL2 -0.180000 12.0110 0 14122 DPE 117 DPPE H5X HAL2 0.090000 1.0080 0 14123 DPE 117 DPPE H5Y HAL2 0.090000 1.0080 0 14124 DPE 117 DPPE C36 CTL2 -0.180000 12.0110 0 14125 DPE 117 DPPE H6X HAL2 0.090000 1.0080 0 14126 DPE 117 DPPE H6Y HAL2 0.090000 1.0080 0 14127 DPE 117 DPPE C37 CTL2 -0.180000 12.0110 0 14128 DPE 117 DPPE H7X HAL2 0.090000 1.0080 0 14129 DPE 117 DPPE H7Y HAL2 0.090000 1.0080 0 14130 DPE 117 DPPE C38 CTL2 -0.180000 12.0110 0 14131 DPE 117 DPPE H8X HAL2 0.090000 1.0080 0 14132 DPE 117 DPPE H8Y HAL2 0.090000 1.0080 0 14133 DPE 117 DPPE C39 CTL2 -0.180000 12.0110 0 14134 DPE 117 DPPE H9X HAL2 0.090000 1.0080 0 14135 DPE 117 DPPE H9Y HAL2 0.090000 1.0080 0 14136 DPE 117 DPPE C310 CTL2 -0.180000 12.0110 0 14137 DPE 117 DPPE H10X HAL2 0.090000 1.0080 0 14138 DPE 117 DPPE H10Y HAL2 0.090000 1.0080 0 14139 DPE 117 DPPE C311 CTL2 -0.180000 12.0110 0 14140 DPE 117 DPPE H11X HAL2 0.090000 1.0080 0 14141 DPE 117 DPPE H11Y HAL2 0.090000 1.0080 0 14142 DPE 117 DPPE C312 CTL2 -0.180000 12.0110 0 14143 DPE 117 DPPE H12X HAL2 0.090000 1.0080 0 14144 DPE 117 DPPE H12Y HAL2 0.090000 1.0080 0 14145 DPE 117 DPPE C313 CTL2 -0.180000 12.0110 0 14146 DPE 117 DPPE H13X HAL2 0.090000 1.0080 0 14147 DPE 117 DPPE H13Y HAL2 0.090000 1.0080 0 14148 DPE 117 DPPE C314 CTL2 -0.180000 12.0110 0 14149 DPE 117 DPPE H14X HAL2 0.090000 1.0080 0 14150 DPE 117 DPPE H14Y HAL2 0.090000 1.0080 0 14151 DPE 117 DPPE C315 CTL2 -0.180000 12.0110 0 14152 DPE 117 DPPE H15X HAL2 0.090000 1.0080 0 14153 DPE 117 DPPE H15Y HAL2 0.090000 1.0080 0 14154 DPE 117 DPPE C316 CTL3 -0.270000 12.0110 0 14155 DPE 117 DPPE H16X HAL3 0.090000 1.0080 0 14156 DPE 117 DPPE H16Y HAL3 0.090000 1.0080 0 14157 DPE 117 DPPE H16Z HAL3 0.090000 1.0080 0 14158 DPE 118 DPPE N NH3L -0.300000 14.0070 0 14159 DPE 118 DPPE HN1 HCL 0.330000 1.0080 0 14160 DPE 118 DPPE HN2 HCL 0.330000 1.0080 0 14161 DPE 118 DPPE HN3 HCL 0.330000 1.0080 0 14162 DPE 118 DPPE C12 CTL2 0.130000 12.0110 0 14163 DPE 118 DPPE H12A HAL2 0.090000 1.0080 0 14164 DPE 118 DPPE H12B HAL2 0.090000 1.0080 0 14165 DPE 118 DPPE C11 CTL2 -0.080000 12.0110 0 14166 DPE 118 DPPE H11A HAL2 0.090000 1.0080 0 14167 DPE 118 DPPE H11B HAL2 0.090000 1.0080 0 14168 DPE 118 DPPE P PL 1.500000 30.9740 0 14169 DPE 118 DPPE O13 O2L -0.780000 15.9994 0 14170 DPE 118 DPPE O14 O2L -0.780000 15.9994 0 14171 DPE 118 DPPE O11 OSL -0.570000 15.9994 0 14172 DPE 118 DPPE O12 OSL -0.570000 15.9994 0 14173 DPE 118 DPPE C1 CTL2 -0.080000 12.0110 0 14174 DPE 118 DPPE HA HAL2 0.090000 1.0080 0 14175 DPE 118 DPPE HB HAL2 0.090000 1.0080 0 14176 DPE 118 DPPE C2 CTL1 0.040000 12.0110 0 14177 DPE 118 DPPE HS HAL1 0.090000 1.0080 0 14178 DPE 118 DPPE O21 OSL -0.340000 15.9994 0 14179 DPE 118 DPPE C21 CL 0.630000 12.0110 0 14180 DPE 118 DPPE O22 OBL -0.520000 15.9994 0 14181 DPE 118 DPPE C22 CTL2 -0.080000 12.0110 0 14182 DPE 118 DPPE H2R HAL2 0.090000 1.0080 0 14183 DPE 118 DPPE H2S HAL2 0.090000 1.0080 0 14184 DPE 118 DPPE C3 CTL2 -0.050000 12.0110 0 14185 DPE 118 DPPE HX HAL2 0.090000 1.0080 0 14186 DPE 118 DPPE HY HAL2 0.090000 1.0080 0 14187 DPE 118 DPPE O31 OSL -0.340000 15.9994 0 14188 DPE 118 DPPE C31 CL 0.630000 12.0110 0 14189 DPE 118 DPPE O32 OBL -0.520000 15.9994 0 14190 DPE 118 DPPE C32 CTL2 -0.080000 12.0110 0 14191 DPE 118 DPPE H2X HAL2 0.090000 1.0080 0 14192 DPE 118 DPPE H2Y HAL2 0.090000 1.0080 0 14193 DPE 118 DPPE C23 CTL2 -0.180000 12.0110 0 14194 DPE 118 DPPE H3R HAL2 0.090000 1.0080 0 14195 DPE 118 DPPE H3S HAL2 0.090000 1.0080 0 14196 DPE 118 DPPE C24 CTL2 -0.180000 12.0110 0 14197 DPE 118 DPPE H4R HAL2 0.090000 1.0080 0 14198 DPE 118 DPPE H4S HAL2 0.090000 1.0080 0 14199 DPE 118 DPPE C25 CTL2 -0.180000 12.0110 0 14200 DPE 118 DPPE H5R HAL2 0.090000 1.0080 0 14201 DPE 118 DPPE H5S HAL2 0.090000 1.0080 0 14202 DPE 118 DPPE C26 CTL2 -0.180000 12.0110 0 14203 DPE 118 DPPE H6R HAL2 0.090000 1.0080 0 14204 DPE 118 DPPE H6S HAL2 0.090000 1.0080 0 14205 DPE 118 DPPE C27 CTL2 -0.180000 12.0110 0 14206 DPE 118 DPPE H7R HAL2 0.090000 1.0080 0 14207 DPE 118 DPPE H7S HAL2 0.090000 1.0080 0 14208 DPE 118 DPPE C28 CTL2 -0.180000 12.0110 0 14209 DPE 118 DPPE H8R HAL2 0.090000 1.0080 0 14210 DPE 118 DPPE H8S HAL2 0.090000 1.0080 0 14211 DPE 118 DPPE C29 CTL2 -0.180000 12.0110 0 14212 DPE 118 DPPE H9R HAL2 0.090000 1.0080 0 14213 DPE 118 DPPE H9S HAL2 0.090000 1.0080 0 14214 DPE 118 DPPE C210 CTL2 -0.180000 12.0110 0 14215 DPE 118 DPPE H10R HAL2 0.090000 1.0080 0 14216 DPE 118 DPPE H10S HAL2 0.090000 1.0080 0 14217 DPE 118 DPPE C211 CTL2 -0.180000 12.0110 0 14218 DPE 118 DPPE H11R HAL2 0.090000 1.0080 0 14219 DPE 118 DPPE H11S HAL2 0.090000 1.0080 0 14220 DPE 118 DPPE C212 CTL2 -0.180000 12.0110 0 14221 DPE 118 DPPE H12R HAL2 0.090000 1.0080 0 14222 DPE 118 DPPE H12S HAL2 0.090000 1.0080 0 14223 DPE 118 DPPE C213 CTL2 -0.180000 12.0110 0 14224 DPE 118 DPPE H13R HAL2 0.090000 1.0080 0 14225 DPE 118 DPPE H13S HAL2 0.090000 1.0080 0 14226 DPE 118 DPPE C214 CTL2 -0.180000 12.0110 0 14227 DPE 118 DPPE H14R HAL2 0.090000 1.0080 0 14228 DPE 118 DPPE H14S HAL2 0.090000 1.0080 0 14229 DPE 118 DPPE C215 CTL2 -0.180000 12.0110 0 14230 DPE 118 DPPE H15R HAL2 0.090000 1.0080 0 14231 DPE 118 DPPE H15S HAL2 0.090000 1.0080 0 14232 DPE 118 DPPE C216 CTL3 -0.270000 12.0110 0 14233 DPE 118 DPPE H16R HAL3 0.090000 1.0080 0 14234 DPE 118 DPPE H16S HAL3 0.090000 1.0080 0 14235 DPE 118 DPPE H16T HAL3 0.090000 1.0080 0 14236 DPE 118 DPPE C33 CTL2 -0.180000 12.0110 0 14237 DPE 118 DPPE H3X HAL2 0.090000 1.0080 0 14238 DPE 118 DPPE H3Y HAL2 0.090000 1.0080 0 14239 DPE 118 DPPE C34 CTL2 -0.180000 12.0110 0 14240 DPE 118 DPPE H4X HAL2 0.090000 1.0080 0 14241 DPE 118 DPPE H4Y HAL2 0.090000 1.0080 0 14242 DPE 118 DPPE C35 CTL2 -0.180000 12.0110 0 14243 DPE 118 DPPE H5X HAL2 0.090000 1.0080 0 14244 DPE 118 DPPE H5Y HAL2 0.090000 1.0080 0 14245 DPE 118 DPPE C36 CTL2 -0.180000 12.0110 0 14246 DPE 118 DPPE H6X HAL2 0.090000 1.0080 0 14247 DPE 118 DPPE H6Y HAL2 0.090000 1.0080 0 14248 DPE 118 DPPE C37 CTL2 -0.180000 12.0110 0 14249 DPE 118 DPPE H7X HAL2 0.090000 1.0080 0 14250 DPE 118 DPPE H7Y HAL2 0.090000 1.0080 0 14251 DPE 118 DPPE C38 CTL2 -0.180000 12.0110 0 14252 DPE 118 DPPE H8X HAL2 0.090000 1.0080 0 14253 DPE 118 DPPE H8Y HAL2 0.090000 1.0080 0 14254 DPE 118 DPPE C39 CTL2 -0.180000 12.0110 0 14255 DPE 118 DPPE H9X HAL2 0.090000 1.0080 0 14256 DPE 118 DPPE H9Y HAL2 0.090000 1.0080 0 14257 DPE 118 DPPE C310 CTL2 -0.180000 12.0110 0 14258 DPE 118 DPPE H10X HAL2 0.090000 1.0080 0 14259 DPE 118 DPPE H10Y HAL2 0.090000 1.0080 0 14260 DPE 118 DPPE C311 CTL2 -0.180000 12.0110 0 14261 DPE 118 DPPE H11X HAL2 0.090000 1.0080 0 14262 DPE 118 DPPE H11Y HAL2 0.090000 1.0080 0 14263 DPE 118 DPPE C312 CTL2 -0.180000 12.0110 0 14264 DPE 118 DPPE H12X HAL2 0.090000 1.0080 0 14265 DPE 118 DPPE H12Y HAL2 0.090000 1.0080 0 14266 DPE 118 DPPE C313 CTL2 -0.180000 12.0110 0 14267 DPE 118 DPPE H13X HAL2 0.090000 1.0080 0 14268 DPE 118 DPPE H13Y HAL2 0.090000 1.0080 0 14269 DPE 118 DPPE C314 CTL2 -0.180000 12.0110 0 14270 DPE 118 DPPE H14X HAL2 0.090000 1.0080 0 14271 DPE 118 DPPE H14Y HAL2 0.090000 1.0080 0 14272 DPE 118 DPPE C315 CTL2 -0.180000 12.0110 0 14273 DPE 118 DPPE H15X HAL2 0.090000 1.0080 0 14274 DPE 118 DPPE H15Y HAL2 0.090000 1.0080 0 14275 DPE 118 DPPE C316 CTL3 -0.270000 12.0110 0 14276 DPE 118 DPPE H16X HAL3 0.090000 1.0080 0 14277 DPE 118 DPPE H16Y HAL3 0.090000 1.0080 0 14278 DPE 118 DPPE H16Z HAL3 0.090000 1.0080 0 14279 DPE 119 DPPE N NH3L -0.300000 14.0070 0 14280 DPE 119 DPPE HN1 HCL 0.330000 1.0080 0 14281 DPE 119 DPPE HN2 HCL 0.330000 1.0080 0 14282 DPE 119 DPPE HN3 HCL 0.330000 1.0080 0 14283 DPE 119 DPPE C12 CTL2 0.130000 12.0110 0 14284 DPE 119 DPPE H12A HAL2 0.090000 1.0080 0 14285 DPE 119 DPPE H12B HAL2 0.090000 1.0080 0 14286 DPE 119 DPPE C11 CTL2 -0.080000 12.0110 0 14287 DPE 119 DPPE H11A HAL2 0.090000 1.0080 0 14288 DPE 119 DPPE H11B HAL2 0.090000 1.0080 0 14289 DPE 119 DPPE P PL 1.500000 30.9740 0 14290 DPE 119 DPPE O13 O2L -0.780000 15.9994 0 14291 DPE 119 DPPE O14 O2L -0.780000 15.9994 0 14292 DPE 119 DPPE O11 OSL -0.570000 15.9994 0 14293 DPE 119 DPPE O12 OSL -0.570000 15.9994 0 14294 DPE 119 DPPE C1 CTL2 -0.080000 12.0110 0 14295 DPE 119 DPPE HA HAL2 0.090000 1.0080 0 14296 DPE 119 DPPE HB HAL2 0.090000 1.0080 0 14297 DPE 119 DPPE C2 CTL1 0.040000 12.0110 0 14298 DPE 119 DPPE HS HAL1 0.090000 1.0080 0 14299 DPE 119 DPPE O21 OSL -0.340000 15.9994 0 14300 DPE 119 DPPE C21 CL 0.630000 12.0110 0 14301 DPE 119 DPPE O22 OBL -0.520000 15.9994 0 14302 DPE 119 DPPE C22 CTL2 -0.080000 12.0110 0 14303 DPE 119 DPPE H2R HAL2 0.090000 1.0080 0 14304 DPE 119 DPPE H2S HAL2 0.090000 1.0080 0 14305 DPE 119 DPPE C3 CTL2 -0.050000 12.0110 0 14306 DPE 119 DPPE HX HAL2 0.090000 1.0080 0 14307 DPE 119 DPPE HY HAL2 0.090000 1.0080 0 14308 DPE 119 DPPE O31 OSL -0.340000 15.9994 0 14309 DPE 119 DPPE C31 CL 0.630000 12.0110 0 14310 DPE 119 DPPE O32 OBL -0.520000 15.9994 0 14311 DPE 119 DPPE C32 CTL2 -0.080000 12.0110 0 14312 DPE 119 DPPE H2X HAL2 0.090000 1.0080 0 14313 DPE 119 DPPE H2Y HAL2 0.090000 1.0080 0 14314 DPE 119 DPPE C23 CTL2 -0.180000 12.0110 0 14315 DPE 119 DPPE H3R HAL2 0.090000 1.0080 0 14316 DPE 119 DPPE H3S HAL2 0.090000 1.0080 0 14317 DPE 119 DPPE C24 CTL2 -0.180000 12.0110 0 14318 DPE 119 DPPE H4R HAL2 0.090000 1.0080 0 14319 DPE 119 DPPE H4S HAL2 0.090000 1.0080 0 14320 DPE 119 DPPE C25 CTL2 -0.180000 12.0110 0 14321 DPE 119 DPPE H5R HAL2 0.090000 1.0080 0 14322 DPE 119 DPPE H5S HAL2 0.090000 1.0080 0 14323 DPE 119 DPPE C26 CTL2 -0.180000 12.0110 0 14324 DPE 119 DPPE H6R HAL2 0.090000 1.0080 0 14325 DPE 119 DPPE H6S HAL2 0.090000 1.0080 0 14326 DPE 119 DPPE C27 CTL2 -0.180000 12.0110 0 14327 DPE 119 DPPE H7R HAL2 0.090000 1.0080 0 14328 DPE 119 DPPE H7S HAL2 0.090000 1.0080 0 14329 DPE 119 DPPE C28 CTL2 -0.180000 12.0110 0 14330 DPE 119 DPPE H8R HAL2 0.090000 1.0080 0 14331 DPE 119 DPPE H8S HAL2 0.090000 1.0080 0 14332 DPE 119 DPPE C29 CTL2 -0.180000 12.0110 0 14333 DPE 119 DPPE H9R HAL2 0.090000 1.0080 0 14334 DPE 119 DPPE H9S HAL2 0.090000 1.0080 0 14335 DPE 119 DPPE C210 CTL2 -0.180000 12.0110 0 14336 DPE 119 DPPE H10R HAL2 0.090000 1.0080 0 14337 DPE 119 DPPE H10S HAL2 0.090000 1.0080 0 14338 DPE 119 DPPE C211 CTL2 -0.180000 12.0110 0 14339 DPE 119 DPPE H11R HAL2 0.090000 1.0080 0 14340 DPE 119 DPPE H11S HAL2 0.090000 1.0080 0 14341 DPE 119 DPPE C212 CTL2 -0.180000 12.0110 0 14342 DPE 119 DPPE H12R HAL2 0.090000 1.0080 0 14343 DPE 119 DPPE H12S HAL2 0.090000 1.0080 0 14344 DPE 119 DPPE C213 CTL2 -0.180000 12.0110 0 14345 DPE 119 DPPE H13R HAL2 0.090000 1.0080 0 14346 DPE 119 DPPE H13S HAL2 0.090000 1.0080 0 14347 DPE 119 DPPE C214 CTL2 -0.180000 12.0110 0 14348 DPE 119 DPPE H14R HAL2 0.090000 1.0080 0 14349 DPE 119 DPPE H14S HAL2 0.090000 1.0080 0 14350 DPE 119 DPPE C215 CTL2 -0.180000 12.0110 0 14351 DPE 119 DPPE H15R HAL2 0.090000 1.0080 0 14352 DPE 119 DPPE H15S HAL2 0.090000 1.0080 0 14353 DPE 119 DPPE C216 CTL3 -0.270000 12.0110 0 14354 DPE 119 DPPE H16R HAL3 0.090000 1.0080 0 14355 DPE 119 DPPE H16S HAL3 0.090000 1.0080 0 14356 DPE 119 DPPE H16T HAL3 0.090000 1.0080 0 14357 DPE 119 DPPE C33 CTL2 -0.180000 12.0110 0 14358 DPE 119 DPPE H3X HAL2 0.090000 1.0080 0 14359 DPE 119 DPPE H3Y HAL2 0.090000 1.0080 0 14360 DPE 119 DPPE C34 CTL2 -0.180000 12.0110 0 14361 DPE 119 DPPE H4X HAL2 0.090000 1.0080 0 14362 DPE 119 DPPE H4Y HAL2 0.090000 1.0080 0 14363 DPE 119 DPPE C35 CTL2 -0.180000 12.0110 0 14364 DPE 119 DPPE H5X HAL2 0.090000 1.0080 0 14365 DPE 119 DPPE H5Y HAL2 0.090000 1.0080 0 14366 DPE 119 DPPE C36 CTL2 -0.180000 12.0110 0 14367 DPE 119 DPPE H6X HAL2 0.090000 1.0080 0 14368 DPE 119 DPPE H6Y HAL2 0.090000 1.0080 0 14369 DPE 119 DPPE C37 CTL2 -0.180000 12.0110 0 14370 DPE 119 DPPE H7X HAL2 0.090000 1.0080 0 14371 DPE 119 DPPE H7Y HAL2 0.090000 1.0080 0 14372 DPE 119 DPPE C38 CTL2 -0.180000 12.0110 0 14373 DPE 119 DPPE H8X HAL2 0.090000 1.0080 0 14374 DPE 119 DPPE H8Y HAL2 0.090000 1.0080 0 14375 DPE 119 DPPE C39 CTL2 -0.180000 12.0110 0 14376 DPE 119 DPPE H9X HAL2 0.090000 1.0080 0 14377 DPE 119 DPPE H9Y HAL2 0.090000 1.0080 0 14378 DPE 119 DPPE C310 CTL2 -0.180000 12.0110 0 14379 DPE 119 DPPE H10X HAL2 0.090000 1.0080 0 14380 DPE 119 DPPE H10Y HAL2 0.090000 1.0080 0 14381 DPE 119 DPPE C311 CTL2 -0.180000 12.0110 0 14382 DPE 119 DPPE H11X HAL2 0.090000 1.0080 0 14383 DPE 119 DPPE H11Y HAL2 0.090000 1.0080 0 14384 DPE 119 DPPE C312 CTL2 -0.180000 12.0110 0 14385 DPE 119 DPPE H12X HAL2 0.090000 1.0080 0 14386 DPE 119 DPPE H12Y HAL2 0.090000 1.0080 0 14387 DPE 119 DPPE C313 CTL2 -0.180000 12.0110 0 14388 DPE 119 DPPE H13X HAL2 0.090000 1.0080 0 14389 DPE 119 DPPE H13Y HAL2 0.090000 1.0080 0 14390 DPE 119 DPPE C314 CTL2 -0.180000 12.0110 0 14391 DPE 119 DPPE H14X HAL2 0.090000 1.0080 0 14392 DPE 119 DPPE H14Y HAL2 0.090000 1.0080 0 14393 DPE 119 DPPE C315 CTL2 -0.180000 12.0110 0 14394 DPE 119 DPPE H15X HAL2 0.090000 1.0080 0 14395 DPE 119 DPPE H15Y HAL2 0.090000 1.0080 0 14396 DPE 119 DPPE C316 CTL3 -0.270000 12.0110 0 14397 DPE 119 DPPE H16X HAL3 0.090000 1.0080 0 14398 DPE 119 DPPE H16Y HAL3 0.090000 1.0080 0 14399 DPE 119 DPPE H16Z HAL3 0.090000 1.0080 0 14400 DPE 120 DPPE N NH3L -0.300000 14.0070 0 14401 DPE 120 DPPE HN1 HCL 0.330000 1.0080 0 14402 DPE 120 DPPE HN2 HCL 0.330000 1.0080 0 14403 DPE 120 DPPE HN3 HCL 0.330000 1.0080 0 14404 DPE 120 DPPE C12 CTL2 0.130000 12.0110 0 14405 DPE 120 DPPE H12A HAL2 0.090000 1.0080 0 14406 DPE 120 DPPE H12B HAL2 0.090000 1.0080 0 14407 DPE 120 DPPE C11 CTL2 -0.080000 12.0110 0 14408 DPE 120 DPPE H11A HAL2 0.090000 1.0080 0 14409 DPE 120 DPPE H11B HAL2 0.090000 1.0080 0 14410 DPE 120 DPPE P PL 1.500000 30.9740 0 14411 DPE 120 DPPE O13 O2L -0.780000 15.9994 0 14412 DPE 120 DPPE O14 O2L -0.780000 15.9994 0 14413 DPE 120 DPPE O11 OSL -0.570000 15.9994 0 14414 DPE 120 DPPE O12 OSL -0.570000 15.9994 0 14415 DPE 120 DPPE C1 CTL2 -0.080000 12.0110 0 14416 DPE 120 DPPE HA HAL2 0.090000 1.0080 0 14417 DPE 120 DPPE HB HAL2 0.090000 1.0080 0 14418 DPE 120 DPPE C2 CTL1 0.040000 12.0110 0 14419 DPE 120 DPPE HS HAL1 0.090000 1.0080 0 14420 DPE 120 DPPE O21 OSL -0.340000 15.9994 0 14421 DPE 120 DPPE C21 CL 0.630000 12.0110 0 14422 DPE 120 DPPE O22 OBL -0.520000 15.9994 0 14423 DPE 120 DPPE C22 CTL2 -0.080000 12.0110 0 14424 DPE 120 DPPE H2R HAL2 0.090000 1.0080 0 14425 DPE 120 DPPE H2S HAL2 0.090000 1.0080 0 14426 DPE 120 DPPE C3 CTL2 -0.050000 12.0110 0 14427 DPE 120 DPPE HX HAL2 0.090000 1.0080 0 14428 DPE 120 DPPE HY HAL2 0.090000 1.0080 0 14429 DPE 120 DPPE O31 OSL -0.340000 15.9994 0 14430 DPE 120 DPPE C31 CL 0.630000 12.0110 0 14431 DPE 120 DPPE O32 OBL -0.520000 15.9994 0 14432 DPE 120 DPPE C32 CTL2 -0.080000 12.0110 0 14433 DPE 120 DPPE H2X HAL2 0.090000 1.0080 0 14434 DPE 120 DPPE H2Y HAL2 0.090000 1.0080 0 14435 DPE 120 DPPE C23 CTL2 -0.180000 12.0110 0 14436 DPE 120 DPPE H3R HAL2 0.090000 1.0080 0 14437 DPE 120 DPPE H3S HAL2 0.090000 1.0080 0 14438 DPE 120 DPPE C24 CTL2 -0.180000 12.0110 0 14439 DPE 120 DPPE H4R HAL2 0.090000 1.0080 0 14440 DPE 120 DPPE H4S HAL2 0.090000 1.0080 0 14441 DPE 120 DPPE C25 CTL2 -0.180000 12.0110 0 14442 DPE 120 DPPE H5R HAL2 0.090000 1.0080 0 14443 DPE 120 DPPE H5S HAL2 0.090000 1.0080 0 14444 DPE 120 DPPE C26 CTL2 -0.180000 12.0110 0 14445 DPE 120 DPPE H6R HAL2 0.090000 1.0080 0 14446 DPE 120 DPPE H6S HAL2 0.090000 1.0080 0 14447 DPE 120 DPPE C27 CTL2 -0.180000 12.0110 0 14448 DPE 120 DPPE H7R HAL2 0.090000 1.0080 0 14449 DPE 120 DPPE H7S HAL2 0.090000 1.0080 0 14450 DPE 120 DPPE C28 CTL2 -0.180000 12.0110 0 14451 DPE 120 DPPE H8R HAL2 0.090000 1.0080 0 14452 DPE 120 DPPE H8S HAL2 0.090000 1.0080 0 14453 DPE 120 DPPE C29 CTL2 -0.180000 12.0110 0 14454 DPE 120 DPPE H9R HAL2 0.090000 1.0080 0 14455 DPE 120 DPPE H9S HAL2 0.090000 1.0080 0 14456 DPE 120 DPPE C210 CTL2 -0.180000 12.0110 0 14457 DPE 120 DPPE H10R HAL2 0.090000 1.0080 0 14458 DPE 120 DPPE H10S HAL2 0.090000 1.0080 0 14459 DPE 120 DPPE C211 CTL2 -0.180000 12.0110 0 14460 DPE 120 DPPE H11R HAL2 0.090000 1.0080 0 14461 DPE 120 DPPE H11S HAL2 0.090000 1.0080 0 14462 DPE 120 DPPE C212 CTL2 -0.180000 12.0110 0 14463 DPE 120 DPPE H12R HAL2 0.090000 1.0080 0 14464 DPE 120 DPPE H12S HAL2 0.090000 1.0080 0 14465 DPE 120 DPPE C213 CTL2 -0.180000 12.0110 0 14466 DPE 120 DPPE H13R HAL2 0.090000 1.0080 0 14467 DPE 120 DPPE H13S HAL2 0.090000 1.0080 0 14468 DPE 120 DPPE C214 CTL2 -0.180000 12.0110 0 14469 DPE 120 DPPE H14R HAL2 0.090000 1.0080 0 14470 DPE 120 DPPE H14S HAL2 0.090000 1.0080 0 14471 DPE 120 DPPE C215 CTL2 -0.180000 12.0110 0 14472 DPE 120 DPPE H15R HAL2 0.090000 1.0080 0 14473 DPE 120 DPPE H15S HAL2 0.090000 1.0080 0 14474 DPE 120 DPPE C216 CTL3 -0.270000 12.0110 0 14475 DPE 120 DPPE H16R HAL3 0.090000 1.0080 0 14476 DPE 120 DPPE H16S HAL3 0.090000 1.0080 0 14477 DPE 120 DPPE H16T HAL3 0.090000 1.0080 0 14478 DPE 120 DPPE C33 CTL2 -0.180000 12.0110 0 14479 DPE 120 DPPE H3X HAL2 0.090000 1.0080 0 14480 DPE 120 DPPE H3Y HAL2 0.090000 1.0080 0 14481 DPE 120 DPPE C34 CTL2 -0.180000 12.0110 0 14482 DPE 120 DPPE H4X HAL2 0.090000 1.0080 0 14483 DPE 120 DPPE H4Y HAL2 0.090000 1.0080 0 14484 DPE 120 DPPE C35 CTL2 -0.180000 12.0110 0 14485 DPE 120 DPPE H5X HAL2 0.090000 1.0080 0 14486 DPE 120 DPPE H5Y HAL2 0.090000 1.0080 0 14487 DPE 120 DPPE C36 CTL2 -0.180000 12.0110 0 14488 DPE 120 DPPE H6X HAL2 0.090000 1.0080 0 14489 DPE 120 DPPE H6Y HAL2 0.090000 1.0080 0 14490 DPE 120 DPPE C37 CTL2 -0.180000 12.0110 0 14491 DPE 120 DPPE H7X HAL2 0.090000 1.0080 0 14492 DPE 120 DPPE H7Y HAL2 0.090000 1.0080 0 14493 DPE 120 DPPE C38 CTL2 -0.180000 12.0110 0 14494 DPE 120 DPPE H8X HAL2 0.090000 1.0080 0 14495 DPE 120 DPPE H8Y HAL2 0.090000 1.0080 0 14496 DPE 120 DPPE C39 CTL2 -0.180000 12.0110 0 14497 DPE 120 DPPE H9X HAL2 0.090000 1.0080 0 14498 DPE 120 DPPE H9Y HAL2 0.090000 1.0080 0 14499 DPE 120 DPPE C310 CTL2 -0.180000 12.0110 0 14500 DPE 120 DPPE H10X HAL2 0.090000 1.0080 0 14501 DPE 120 DPPE H10Y HAL2 0.090000 1.0080 0 14502 DPE 120 DPPE C311 CTL2 -0.180000 12.0110 0 14503 DPE 120 DPPE H11X HAL2 0.090000 1.0080 0 14504 DPE 120 DPPE H11Y HAL2 0.090000 1.0080 0 14505 DPE 120 DPPE C312 CTL2 -0.180000 12.0110 0 14506 DPE 120 DPPE H12X HAL2 0.090000 1.0080 0 14507 DPE 120 DPPE H12Y HAL2 0.090000 1.0080 0 14508 DPE 120 DPPE C313 CTL2 -0.180000 12.0110 0 14509 DPE 120 DPPE H13X HAL2 0.090000 1.0080 0 14510 DPE 120 DPPE H13Y HAL2 0.090000 1.0080 0 14511 DPE 120 DPPE C314 CTL2 -0.180000 12.0110 0 14512 DPE 120 DPPE H14X HAL2 0.090000 1.0080 0 14513 DPE 120 DPPE H14Y HAL2 0.090000 1.0080 0 14514 DPE 120 DPPE C315 CTL2 -0.180000 12.0110 0 14515 DPE 120 DPPE H15X HAL2 0.090000 1.0080 0 14516 DPE 120 DPPE H15Y HAL2 0.090000 1.0080 0 14517 DPE 120 DPPE C316 CTL3 -0.270000 12.0110 0 14518 DPE 120 DPPE H16X HAL3 0.090000 1.0080 0 14519 DPE 120 DPPE H16Y HAL3 0.090000 1.0080 0 14520 DPE 120 DPPE H16Z HAL3 0.090000 1.0080 0 14521 DPE 121 DPPE N NH3L -0.300000 14.0070 0 14522 DPE 121 DPPE HN1 HCL 0.330000 1.0080 0 14523 DPE 121 DPPE HN2 HCL 0.330000 1.0080 0 14524 DPE 121 DPPE HN3 HCL 0.330000 1.0080 0 14525 DPE 121 DPPE C12 CTL2 0.130000 12.0110 0 14526 DPE 121 DPPE H12A HAL2 0.090000 1.0080 0 14527 DPE 121 DPPE H12B HAL2 0.090000 1.0080 0 14528 DPE 121 DPPE C11 CTL2 -0.080000 12.0110 0 14529 DPE 121 DPPE H11A HAL2 0.090000 1.0080 0 14530 DPE 121 DPPE H11B HAL2 0.090000 1.0080 0 14531 DPE 121 DPPE P PL 1.500000 30.9740 0 14532 DPE 121 DPPE O13 O2L -0.780000 15.9994 0 14533 DPE 121 DPPE O14 O2L -0.780000 15.9994 0 14534 DPE 121 DPPE O11 OSL -0.570000 15.9994 0 14535 DPE 121 DPPE O12 OSL -0.570000 15.9994 0 14536 DPE 121 DPPE C1 CTL2 -0.080000 12.0110 0 14537 DPE 121 DPPE HA HAL2 0.090000 1.0080 0 14538 DPE 121 DPPE HB HAL2 0.090000 1.0080 0 14539 DPE 121 DPPE C2 CTL1 0.040000 12.0110 0 14540 DPE 121 DPPE HS HAL1 0.090000 1.0080 0 14541 DPE 121 DPPE O21 OSL -0.340000 15.9994 0 14542 DPE 121 DPPE C21 CL 0.630000 12.0110 0 14543 DPE 121 DPPE O22 OBL -0.520000 15.9994 0 14544 DPE 121 DPPE C22 CTL2 -0.080000 12.0110 0 14545 DPE 121 DPPE H2R HAL2 0.090000 1.0080 0 14546 DPE 121 DPPE H2S HAL2 0.090000 1.0080 0 14547 DPE 121 DPPE C3 CTL2 -0.050000 12.0110 0 14548 DPE 121 DPPE HX HAL2 0.090000 1.0080 0 14549 DPE 121 DPPE HY HAL2 0.090000 1.0080 0 14550 DPE 121 DPPE O31 OSL -0.340000 15.9994 0 14551 DPE 121 DPPE C31 CL 0.630000 12.0110 0 14552 DPE 121 DPPE O32 OBL -0.520000 15.9994 0 14553 DPE 121 DPPE C32 CTL2 -0.080000 12.0110 0 14554 DPE 121 DPPE H2X HAL2 0.090000 1.0080 0 14555 DPE 121 DPPE H2Y HAL2 0.090000 1.0080 0 14556 DPE 121 DPPE C23 CTL2 -0.180000 12.0110 0 14557 DPE 121 DPPE H3R HAL2 0.090000 1.0080 0 14558 DPE 121 DPPE H3S HAL2 0.090000 1.0080 0 14559 DPE 121 DPPE C24 CTL2 -0.180000 12.0110 0 14560 DPE 121 DPPE H4R HAL2 0.090000 1.0080 0 14561 DPE 121 DPPE H4S HAL2 0.090000 1.0080 0 14562 DPE 121 DPPE C25 CTL2 -0.180000 12.0110 0 14563 DPE 121 DPPE H5R HAL2 0.090000 1.0080 0 14564 DPE 121 DPPE H5S HAL2 0.090000 1.0080 0 14565 DPE 121 DPPE C26 CTL2 -0.180000 12.0110 0 14566 DPE 121 DPPE H6R HAL2 0.090000 1.0080 0 14567 DPE 121 DPPE H6S HAL2 0.090000 1.0080 0 14568 DPE 121 DPPE C27 CTL2 -0.180000 12.0110 0 14569 DPE 121 DPPE H7R HAL2 0.090000 1.0080 0 14570 DPE 121 DPPE H7S HAL2 0.090000 1.0080 0 14571 DPE 121 DPPE C28 CTL2 -0.180000 12.0110 0 14572 DPE 121 DPPE H8R HAL2 0.090000 1.0080 0 14573 DPE 121 DPPE H8S HAL2 0.090000 1.0080 0 14574 DPE 121 DPPE C29 CTL2 -0.180000 12.0110 0 14575 DPE 121 DPPE H9R HAL2 0.090000 1.0080 0 14576 DPE 121 DPPE H9S HAL2 0.090000 1.0080 0 14577 DPE 121 DPPE C210 CTL2 -0.180000 12.0110 0 14578 DPE 121 DPPE H10R HAL2 0.090000 1.0080 0 14579 DPE 121 DPPE H10S HAL2 0.090000 1.0080 0 14580 DPE 121 DPPE C211 CTL2 -0.180000 12.0110 0 14581 DPE 121 DPPE H11R HAL2 0.090000 1.0080 0 14582 DPE 121 DPPE H11S HAL2 0.090000 1.0080 0 14583 DPE 121 DPPE C212 CTL2 -0.180000 12.0110 0 14584 DPE 121 DPPE H12R HAL2 0.090000 1.0080 0 14585 DPE 121 DPPE H12S HAL2 0.090000 1.0080 0 14586 DPE 121 DPPE C213 CTL2 -0.180000 12.0110 0 14587 DPE 121 DPPE H13R HAL2 0.090000 1.0080 0 14588 DPE 121 DPPE H13S HAL2 0.090000 1.0080 0 14589 DPE 121 DPPE C214 CTL2 -0.180000 12.0110 0 14590 DPE 121 DPPE H14R HAL2 0.090000 1.0080 0 14591 DPE 121 DPPE H14S HAL2 0.090000 1.0080 0 14592 DPE 121 DPPE C215 CTL2 -0.180000 12.0110 0 14593 DPE 121 DPPE H15R HAL2 0.090000 1.0080 0 14594 DPE 121 DPPE H15S HAL2 0.090000 1.0080 0 14595 DPE 121 DPPE C216 CTL3 -0.270000 12.0110 0 14596 DPE 121 DPPE H16R HAL3 0.090000 1.0080 0 14597 DPE 121 DPPE H16S HAL3 0.090000 1.0080 0 14598 DPE 121 DPPE H16T HAL3 0.090000 1.0080 0 14599 DPE 121 DPPE C33 CTL2 -0.180000 12.0110 0 14600 DPE 121 DPPE H3X HAL2 0.090000 1.0080 0 14601 DPE 121 DPPE H3Y HAL2 0.090000 1.0080 0 14602 DPE 121 DPPE C34 CTL2 -0.180000 12.0110 0 14603 DPE 121 DPPE H4X HAL2 0.090000 1.0080 0 14604 DPE 121 DPPE H4Y HAL2 0.090000 1.0080 0 14605 DPE 121 DPPE C35 CTL2 -0.180000 12.0110 0 14606 DPE 121 DPPE H5X HAL2 0.090000 1.0080 0 14607 DPE 121 DPPE H5Y HAL2 0.090000 1.0080 0 14608 DPE 121 DPPE C36 CTL2 -0.180000 12.0110 0 14609 DPE 121 DPPE H6X HAL2 0.090000 1.0080 0 14610 DPE 121 DPPE H6Y HAL2 0.090000 1.0080 0 14611 DPE 121 DPPE C37 CTL2 -0.180000 12.0110 0 14612 DPE 121 DPPE H7X HAL2 0.090000 1.0080 0 14613 DPE 121 DPPE H7Y HAL2 0.090000 1.0080 0 14614 DPE 121 DPPE C38 CTL2 -0.180000 12.0110 0 14615 DPE 121 DPPE H8X HAL2 0.090000 1.0080 0 14616 DPE 121 DPPE H8Y HAL2 0.090000 1.0080 0 14617 DPE 121 DPPE C39 CTL2 -0.180000 12.0110 0 14618 DPE 121 DPPE H9X HAL2 0.090000 1.0080 0 14619 DPE 121 DPPE H9Y HAL2 0.090000 1.0080 0 14620 DPE 121 DPPE C310 CTL2 -0.180000 12.0110 0 14621 DPE 121 DPPE H10X HAL2 0.090000 1.0080 0 14622 DPE 121 DPPE H10Y HAL2 0.090000 1.0080 0 14623 DPE 121 DPPE C311 CTL2 -0.180000 12.0110 0 14624 DPE 121 DPPE H11X HAL2 0.090000 1.0080 0 14625 DPE 121 DPPE H11Y HAL2 0.090000 1.0080 0 14626 DPE 121 DPPE C312 CTL2 -0.180000 12.0110 0 14627 DPE 121 DPPE H12X HAL2 0.090000 1.0080 0 14628 DPE 121 DPPE H12Y HAL2 0.090000 1.0080 0 14629 DPE 121 DPPE C313 CTL2 -0.180000 12.0110 0 14630 DPE 121 DPPE H13X HAL2 0.090000 1.0080 0 14631 DPE 121 DPPE H13Y HAL2 0.090000 1.0080 0 14632 DPE 121 DPPE C314 CTL2 -0.180000 12.0110 0 14633 DPE 121 DPPE H14X HAL2 0.090000 1.0080 0 14634 DPE 121 DPPE H14Y HAL2 0.090000 1.0080 0 14635 DPE 121 DPPE C315 CTL2 -0.180000 12.0110 0 14636 DPE 121 DPPE H15X HAL2 0.090000 1.0080 0 14637 DPE 121 DPPE H15Y HAL2 0.090000 1.0080 0 14638 DPE 121 DPPE C316 CTL3 -0.270000 12.0110 0 14639 DPE 121 DPPE H16X HAL3 0.090000 1.0080 0 14640 DPE 121 DPPE H16Y HAL3 0.090000 1.0080 0 14641 DPE 121 DPPE H16Z HAL3 0.090000 1.0080 0 14642 DPE 122 DPPE N NH3L -0.300000 14.0070 0 14643 DPE 122 DPPE HN1 HCL 0.330000 1.0080 0 14644 DPE 122 DPPE HN2 HCL 0.330000 1.0080 0 14645 DPE 122 DPPE HN3 HCL 0.330000 1.0080 0 14646 DPE 122 DPPE C12 CTL2 0.130000 12.0110 0 14647 DPE 122 DPPE H12A HAL2 0.090000 1.0080 0 14648 DPE 122 DPPE H12B HAL2 0.090000 1.0080 0 14649 DPE 122 DPPE C11 CTL2 -0.080000 12.0110 0 14650 DPE 122 DPPE H11A HAL2 0.090000 1.0080 0 14651 DPE 122 DPPE H11B HAL2 0.090000 1.0080 0 14652 DPE 122 DPPE P PL 1.500000 30.9740 0 14653 DPE 122 DPPE O13 O2L -0.780000 15.9994 0 14654 DPE 122 DPPE O14 O2L -0.780000 15.9994 0 14655 DPE 122 DPPE O11 OSL -0.570000 15.9994 0 14656 DPE 122 DPPE O12 OSL -0.570000 15.9994 0 14657 DPE 122 DPPE C1 CTL2 -0.080000 12.0110 0 14658 DPE 122 DPPE HA HAL2 0.090000 1.0080 0 14659 DPE 122 DPPE HB HAL2 0.090000 1.0080 0 14660 DPE 122 DPPE C2 CTL1 0.040000 12.0110 0 14661 DPE 122 DPPE HS HAL1 0.090000 1.0080 0 14662 DPE 122 DPPE O21 OSL -0.340000 15.9994 0 14663 DPE 122 DPPE C21 CL 0.630000 12.0110 0 14664 DPE 122 DPPE O22 OBL -0.520000 15.9994 0 14665 DPE 122 DPPE C22 CTL2 -0.080000 12.0110 0 14666 DPE 122 DPPE H2R HAL2 0.090000 1.0080 0 14667 DPE 122 DPPE H2S HAL2 0.090000 1.0080 0 14668 DPE 122 DPPE C3 CTL2 -0.050000 12.0110 0 14669 DPE 122 DPPE HX HAL2 0.090000 1.0080 0 14670 DPE 122 DPPE HY HAL2 0.090000 1.0080 0 14671 DPE 122 DPPE O31 OSL -0.340000 15.9994 0 14672 DPE 122 DPPE C31 CL 0.630000 12.0110 0 14673 DPE 122 DPPE O32 OBL -0.520000 15.9994 0 14674 DPE 122 DPPE C32 CTL2 -0.080000 12.0110 0 14675 DPE 122 DPPE H2X HAL2 0.090000 1.0080 0 14676 DPE 122 DPPE H2Y HAL2 0.090000 1.0080 0 14677 DPE 122 DPPE C23 CTL2 -0.180000 12.0110 0 14678 DPE 122 DPPE H3R HAL2 0.090000 1.0080 0 14679 DPE 122 DPPE H3S HAL2 0.090000 1.0080 0 14680 DPE 122 DPPE C24 CTL2 -0.180000 12.0110 0 14681 DPE 122 DPPE H4R HAL2 0.090000 1.0080 0 14682 DPE 122 DPPE H4S HAL2 0.090000 1.0080 0 14683 DPE 122 DPPE C25 CTL2 -0.180000 12.0110 0 14684 DPE 122 DPPE H5R HAL2 0.090000 1.0080 0 14685 DPE 122 DPPE H5S HAL2 0.090000 1.0080 0 14686 DPE 122 DPPE C26 CTL2 -0.180000 12.0110 0 14687 DPE 122 DPPE H6R HAL2 0.090000 1.0080 0 14688 DPE 122 DPPE H6S HAL2 0.090000 1.0080 0 14689 DPE 122 DPPE C27 CTL2 -0.180000 12.0110 0 14690 DPE 122 DPPE H7R HAL2 0.090000 1.0080 0 14691 DPE 122 DPPE H7S HAL2 0.090000 1.0080 0 14692 DPE 122 DPPE C28 CTL2 -0.180000 12.0110 0 14693 DPE 122 DPPE H8R HAL2 0.090000 1.0080 0 14694 DPE 122 DPPE H8S HAL2 0.090000 1.0080 0 14695 DPE 122 DPPE C29 CTL2 -0.180000 12.0110 0 14696 DPE 122 DPPE H9R HAL2 0.090000 1.0080 0 14697 DPE 122 DPPE H9S HAL2 0.090000 1.0080 0 14698 DPE 122 DPPE C210 CTL2 -0.180000 12.0110 0 14699 DPE 122 DPPE H10R HAL2 0.090000 1.0080 0 14700 DPE 122 DPPE H10S HAL2 0.090000 1.0080 0 14701 DPE 122 DPPE C211 CTL2 -0.180000 12.0110 0 14702 DPE 122 DPPE H11R HAL2 0.090000 1.0080 0 14703 DPE 122 DPPE H11S HAL2 0.090000 1.0080 0 14704 DPE 122 DPPE C212 CTL2 -0.180000 12.0110 0 14705 DPE 122 DPPE H12R HAL2 0.090000 1.0080 0 14706 DPE 122 DPPE H12S HAL2 0.090000 1.0080 0 14707 DPE 122 DPPE C213 CTL2 -0.180000 12.0110 0 14708 DPE 122 DPPE H13R HAL2 0.090000 1.0080 0 14709 DPE 122 DPPE H13S HAL2 0.090000 1.0080 0 14710 DPE 122 DPPE C214 CTL2 -0.180000 12.0110 0 14711 DPE 122 DPPE H14R HAL2 0.090000 1.0080 0 14712 DPE 122 DPPE H14S HAL2 0.090000 1.0080 0 14713 DPE 122 DPPE C215 CTL2 -0.180000 12.0110 0 14714 DPE 122 DPPE H15R HAL2 0.090000 1.0080 0 14715 DPE 122 DPPE H15S HAL2 0.090000 1.0080 0 14716 DPE 122 DPPE C216 CTL3 -0.270000 12.0110 0 14717 DPE 122 DPPE H16R HAL3 0.090000 1.0080 0 14718 DPE 122 DPPE H16S HAL3 0.090000 1.0080 0 14719 DPE 122 DPPE H16T HAL3 0.090000 1.0080 0 14720 DPE 122 DPPE C33 CTL2 -0.180000 12.0110 0 14721 DPE 122 DPPE H3X HAL2 0.090000 1.0080 0 14722 DPE 122 DPPE H3Y HAL2 0.090000 1.0080 0 14723 DPE 122 DPPE C34 CTL2 -0.180000 12.0110 0 14724 DPE 122 DPPE H4X HAL2 0.090000 1.0080 0 14725 DPE 122 DPPE H4Y HAL2 0.090000 1.0080 0 14726 DPE 122 DPPE C35 CTL2 -0.180000 12.0110 0 14727 DPE 122 DPPE H5X HAL2 0.090000 1.0080 0 14728 DPE 122 DPPE H5Y HAL2 0.090000 1.0080 0 14729 DPE 122 DPPE C36 CTL2 -0.180000 12.0110 0 14730 DPE 122 DPPE H6X HAL2 0.090000 1.0080 0 14731 DPE 122 DPPE H6Y HAL2 0.090000 1.0080 0 14732 DPE 122 DPPE C37 CTL2 -0.180000 12.0110 0 14733 DPE 122 DPPE H7X HAL2 0.090000 1.0080 0 14734 DPE 122 DPPE H7Y HAL2 0.090000 1.0080 0 14735 DPE 122 DPPE C38 CTL2 -0.180000 12.0110 0 14736 DPE 122 DPPE H8X HAL2 0.090000 1.0080 0 14737 DPE 122 DPPE H8Y HAL2 0.090000 1.0080 0 14738 DPE 122 DPPE C39 CTL2 -0.180000 12.0110 0 14739 DPE 122 DPPE H9X HAL2 0.090000 1.0080 0 14740 DPE 122 DPPE H9Y HAL2 0.090000 1.0080 0 14741 DPE 122 DPPE C310 CTL2 -0.180000 12.0110 0 14742 DPE 122 DPPE H10X HAL2 0.090000 1.0080 0 14743 DPE 122 DPPE H10Y HAL2 0.090000 1.0080 0 14744 DPE 122 DPPE C311 CTL2 -0.180000 12.0110 0 14745 DPE 122 DPPE H11X HAL2 0.090000 1.0080 0 14746 DPE 122 DPPE H11Y HAL2 0.090000 1.0080 0 14747 DPE 122 DPPE C312 CTL2 -0.180000 12.0110 0 14748 DPE 122 DPPE H12X HAL2 0.090000 1.0080 0 14749 DPE 122 DPPE H12Y HAL2 0.090000 1.0080 0 14750 DPE 122 DPPE C313 CTL2 -0.180000 12.0110 0 14751 DPE 122 DPPE H13X HAL2 0.090000 1.0080 0 14752 DPE 122 DPPE H13Y HAL2 0.090000 1.0080 0 14753 DPE 122 DPPE C314 CTL2 -0.180000 12.0110 0 14754 DPE 122 DPPE H14X HAL2 0.090000 1.0080 0 14755 DPE 122 DPPE H14Y HAL2 0.090000 1.0080 0 14756 DPE 122 DPPE C315 CTL2 -0.180000 12.0110 0 14757 DPE 122 DPPE H15X HAL2 0.090000 1.0080 0 14758 DPE 122 DPPE H15Y HAL2 0.090000 1.0080 0 14759 DPE 122 DPPE C316 CTL3 -0.270000 12.0110 0 14760 DPE 122 DPPE H16X HAL3 0.090000 1.0080 0 14761 DPE 122 DPPE H16Y HAL3 0.090000 1.0080 0 14762 DPE 122 DPPE H16Z HAL3 0.090000 1.0080 0 14763 DPE 123 DPPE N NH3L -0.300000 14.0070 0 14764 DPE 123 DPPE HN1 HCL 0.330000 1.0080 0 14765 DPE 123 DPPE HN2 HCL 0.330000 1.0080 0 14766 DPE 123 DPPE HN3 HCL 0.330000 1.0080 0 14767 DPE 123 DPPE C12 CTL2 0.130000 12.0110 0 14768 DPE 123 DPPE H12A HAL2 0.090000 1.0080 0 14769 DPE 123 DPPE H12B HAL2 0.090000 1.0080 0 14770 DPE 123 DPPE C11 CTL2 -0.080000 12.0110 0 14771 DPE 123 DPPE H11A HAL2 0.090000 1.0080 0 14772 DPE 123 DPPE H11B HAL2 0.090000 1.0080 0 14773 DPE 123 DPPE P PL 1.500000 30.9740 0 14774 DPE 123 DPPE O13 O2L -0.780000 15.9994 0 14775 DPE 123 DPPE O14 O2L -0.780000 15.9994 0 14776 DPE 123 DPPE O11 OSL -0.570000 15.9994 0 14777 DPE 123 DPPE O12 OSL -0.570000 15.9994 0 14778 DPE 123 DPPE C1 CTL2 -0.080000 12.0110 0 14779 DPE 123 DPPE HA HAL2 0.090000 1.0080 0 14780 DPE 123 DPPE HB HAL2 0.090000 1.0080 0 14781 DPE 123 DPPE C2 CTL1 0.040000 12.0110 0 14782 DPE 123 DPPE HS HAL1 0.090000 1.0080 0 14783 DPE 123 DPPE O21 OSL -0.340000 15.9994 0 14784 DPE 123 DPPE C21 CL 0.630000 12.0110 0 14785 DPE 123 DPPE O22 OBL -0.520000 15.9994 0 14786 DPE 123 DPPE C22 CTL2 -0.080000 12.0110 0 14787 DPE 123 DPPE H2R HAL2 0.090000 1.0080 0 14788 DPE 123 DPPE H2S HAL2 0.090000 1.0080 0 14789 DPE 123 DPPE C3 CTL2 -0.050000 12.0110 0 14790 DPE 123 DPPE HX HAL2 0.090000 1.0080 0 14791 DPE 123 DPPE HY HAL2 0.090000 1.0080 0 14792 DPE 123 DPPE O31 OSL -0.340000 15.9994 0 14793 DPE 123 DPPE C31 CL 0.630000 12.0110 0 14794 DPE 123 DPPE O32 OBL -0.520000 15.9994 0 14795 DPE 123 DPPE C32 CTL2 -0.080000 12.0110 0 14796 DPE 123 DPPE H2X HAL2 0.090000 1.0080 0 14797 DPE 123 DPPE H2Y HAL2 0.090000 1.0080 0 14798 DPE 123 DPPE C23 CTL2 -0.180000 12.0110 0 14799 DPE 123 DPPE H3R HAL2 0.090000 1.0080 0 14800 DPE 123 DPPE H3S HAL2 0.090000 1.0080 0 14801 DPE 123 DPPE C24 CTL2 -0.180000 12.0110 0 14802 DPE 123 DPPE H4R HAL2 0.090000 1.0080 0 14803 DPE 123 DPPE H4S HAL2 0.090000 1.0080 0 14804 DPE 123 DPPE C25 CTL2 -0.180000 12.0110 0 14805 DPE 123 DPPE H5R HAL2 0.090000 1.0080 0 14806 DPE 123 DPPE H5S HAL2 0.090000 1.0080 0 14807 DPE 123 DPPE C26 CTL2 -0.180000 12.0110 0 14808 DPE 123 DPPE H6R HAL2 0.090000 1.0080 0 14809 DPE 123 DPPE H6S HAL2 0.090000 1.0080 0 14810 DPE 123 DPPE C27 CTL2 -0.180000 12.0110 0 14811 DPE 123 DPPE H7R HAL2 0.090000 1.0080 0 14812 DPE 123 DPPE H7S HAL2 0.090000 1.0080 0 14813 DPE 123 DPPE C28 CTL2 -0.180000 12.0110 0 14814 DPE 123 DPPE H8R HAL2 0.090000 1.0080 0 14815 DPE 123 DPPE H8S HAL2 0.090000 1.0080 0 14816 DPE 123 DPPE C29 CTL2 -0.180000 12.0110 0 14817 DPE 123 DPPE H9R HAL2 0.090000 1.0080 0 14818 DPE 123 DPPE H9S HAL2 0.090000 1.0080 0 14819 DPE 123 DPPE C210 CTL2 -0.180000 12.0110 0 14820 DPE 123 DPPE H10R HAL2 0.090000 1.0080 0 14821 DPE 123 DPPE H10S HAL2 0.090000 1.0080 0 14822 DPE 123 DPPE C211 CTL2 -0.180000 12.0110 0 14823 DPE 123 DPPE H11R HAL2 0.090000 1.0080 0 14824 DPE 123 DPPE H11S HAL2 0.090000 1.0080 0 14825 DPE 123 DPPE C212 CTL2 -0.180000 12.0110 0 14826 DPE 123 DPPE H12R HAL2 0.090000 1.0080 0 14827 DPE 123 DPPE H12S HAL2 0.090000 1.0080 0 14828 DPE 123 DPPE C213 CTL2 -0.180000 12.0110 0 14829 DPE 123 DPPE H13R HAL2 0.090000 1.0080 0 14830 DPE 123 DPPE H13S HAL2 0.090000 1.0080 0 14831 DPE 123 DPPE C214 CTL2 -0.180000 12.0110 0 14832 DPE 123 DPPE H14R HAL2 0.090000 1.0080 0 14833 DPE 123 DPPE H14S HAL2 0.090000 1.0080 0 14834 DPE 123 DPPE C215 CTL2 -0.180000 12.0110 0 14835 DPE 123 DPPE H15R HAL2 0.090000 1.0080 0 14836 DPE 123 DPPE H15S HAL2 0.090000 1.0080 0 14837 DPE 123 DPPE C216 CTL3 -0.270000 12.0110 0 14838 DPE 123 DPPE H16R HAL3 0.090000 1.0080 0 14839 DPE 123 DPPE H16S HAL3 0.090000 1.0080 0 14840 DPE 123 DPPE H16T HAL3 0.090000 1.0080 0 14841 DPE 123 DPPE C33 CTL2 -0.180000 12.0110 0 14842 DPE 123 DPPE H3X HAL2 0.090000 1.0080 0 14843 DPE 123 DPPE H3Y HAL2 0.090000 1.0080 0 14844 DPE 123 DPPE C34 CTL2 -0.180000 12.0110 0 14845 DPE 123 DPPE H4X HAL2 0.090000 1.0080 0 14846 DPE 123 DPPE H4Y HAL2 0.090000 1.0080 0 14847 DPE 123 DPPE C35 CTL2 -0.180000 12.0110 0 14848 DPE 123 DPPE H5X HAL2 0.090000 1.0080 0 14849 DPE 123 DPPE H5Y HAL2 0.090000 1.0080 0 14850 DPE 123 DPPE C36 CTL2 -0.180000 12.0110 0 14851 DPE 123 DPPE H6X HAL2 0.090000 1.0080 0 14852 DPE 123 DPPE H6Y HAL2 0.090000 1.0080 0 14853 DPE 123 DPPE C37 CTL2 -0.180000 12.0110 0 14854 DPE 123 DPPE H7X HAL2 0.090000 1.0080 0 14855 DPE 123 DPPE H7Y HAL2 0.090000 1.0080 0 14856 DPE 123 DPPE C38 CTL2 -0.180000 12.0110 0 14857 DPE 123 DPPE H8X HAL2 0.090000 1.0080 0 14858 DPE 123 DPPE H8Y HAL2 0.090000 1.0080 0 14859 DPE 123 DPPE C39 CTL2 -0.180000 12.0110 0 14860 DPE 123 DPPE H9X HAL2 0.090000 1.0080 0 14861 DPE 123 DPPE H9Y HAL2 0.090000 1.0080 0 14862 DPE 123 DPPE C310 CTL2 -0.180000 12.0110 0 14863 DPE 123 DPPE H10X HAL2 0.090000 1.0080 0 14864 DPE 123 DPPE H10Y HAL2 0.090000 1.0080 0 14865 DPE 123 DPPE C311 CTL2 -0.180000 12.0110 0 14866 DPE 123 DPPE H11X HAL2 0.090000 1.0080 0 14867 DPE 123 DPPE H11Y HAL2 0.090000 1.0080 0 14868 DPE 123 DPPE C312 CTL2 -0.180000 12.0110 0 14869 DPE 123 DPPE H12X HAL2 0.090000 1.0080 0 14870 DPE 123 DPPE H12Y HAL2 0.090000 1.0080 0 14871 DPE 123 DPPE C313 CTL2 -0.180000 12.0110 0 14872 DPE 123 DPPE H13X HAL2 0.090000 1.0080 0 14873 DPE 123 DPPE H13Y HAL2 0.090000 1.0080 0 14874 DPE 123 DPPE C314 CTL2 -0.180000 12.0110 0 14875 DPE 123 DPPE H14X HAL2 0.090000 1.0080 0 14876 DPE 123 DPPE H14Y HAL2 0.090000 1.0080 0 14877 DPE 123 DPPE C315 CTL2 -0.180000 12.0110 0 14878 DPE 123 DPPE H15X HAL2 0.090000 1.0080 0 14879 DPE 123 DPPE H15Y HAL2 0.090000 1.0080 0 14880 DPE 123 DPPE C316 CTL3 -0.270000 12.0110 0 14881 DPE 123 DPPE H16X HAL3 0.090000 1.0080 0 14882 DPE 123 DPPE H16Y HAL3 0.090000 1.0080 0 14883 DPE 123 DPPE H16Z HAL3 0.090000 1.0080 0 14884 DPE 124 DPPE N NH3L -0.300000 14.0070 0 14885 DPE 124 DPPE HN1 HCL 0.330000 1.0080 0 14886 DPE 124 DPPE HN2 HCL 0.330000 1.0080 0 14887 DPE 124 DPPE HN3 HCL 0.330000 1.0080 0 14888 DPE 124 DPPE C12 CTL2 0.130000 12.0110 0 14889 DPE 124 DPPE H12A HAL2 0.090000 1.0080 0 14890 DPE 124 DPPE H12B HAL2 0.090000 1.0080 0 14891 DPE 124 DPPE C11 CTL2 -0.080000 12.0110 0 14892 DPE 124 DPPE H11A HAL2 0.090000 1.0080 0 14893 DPE 124 DPPE H11B HAL2 0.090000 1.0080 0 14894 DPE 124 DPPE P PL 1.500000 30.9740 0 14895 DPE 124 DPPE O13 O2L -0.780000 15.9994 0 14896 DPE 124 DPPE O14 O2L -0.780000 15.9994 0 14897 DPE 124 DPPE O11 OSL -0.570000 15.9994 0 14898 DPE 124 DPPE O12 OSL -0.570000 15.9994 0 14899 DPE 124 DPPE C1 CTL2 -0.080000 12.0110 0 14900 DPE 124 DPPE HA HAL2 0.090000 1.0080 0 14901 DPE 124 DPPE HB HAL2 0.090000 1.0080 0 14902 DPE 124 DPPE C2 CTL1 0.040000 12.0110 0 14903 DPE 124 DPPE HS HAL1 0.090000 1.0080 0 14904 DPE 124 DPPE O21 OSL -0.340000 15.9994 0 14905 DPE 124 DPPE C21 CL 0.630000 12.0110 0 14906 DPE 124 DPPE O22 OBL -0.520000 15.9994 0 14907 DPE 124 DPPE C22 CTL2 -0.080000 12.0110 0 14908 DPE 124 DPPE H2R HAL2 0.090000 1.0080 0 14909 DPE 124 DPPE H2S HAL2 0.090000 1.0080 0 14910 DPE 124 DPPE C3 CTL2 -0.050000 12.0110 0 14911 DPE 124 DPPE HX HAL2 0.090000 1.0080 0 14912 DPE 124 DPPE HY HAL2 0.090000 1.0080 0 14913 DPE 124 DPPE O31 OSL -0.340000 15.9994 0 14914 DPE 124 DPPE C31 CL 0.630000 12.0110 0 14915 DPE 124 DPPE O32 OBL -0.520000 15.9994 0 14916 DPE 124 DPPE C32 CTL2 -0.080000 12.0110 0 14917 DPE 124 DPPE H2X HAL2 0.090000 1.0080 0 14918 DPE 124 DPPE H2Y HAL2 0.090000 1.0080 0 14919 DPE 124 DPPE C23 CTL2 -0.180000 12.0110 0 14920 DPE 124 DPPE H3R HAL2 0.090000 1.0080 0 14921 DPE 124 DPPE H3S HAL2 0.090000 1.0080 0 14922 DPE 124 DPPE C24 CTL2 -0.180000 12.0110 0 14923 DPE 124 DPPE H4R HAL2 0.090000 1.0080 0 14924 DPE 124 DPPE H4S HAL2 0.090000 1.0080 0 14925 DPE 124 DPPE C25 CTL2 -0.180000 12.0110 0 14926 DPE 124 DPPE H5R HAL2 0.090000 1.0080 0 14927 DPE 124 DPPE H5S HAL2 0.090000 1.0080 0 14928 DPE 124 DPPE C26 CTL2 -0.180000 12.0110 0 14929 DPE 124 DPPE H6R HAL2 0.090000 1.0080 0 14930 DPE 124 DPPE H6S HAL2 0.090000 1.0080 0 14931 DPE 124 DPPE C27 CTL2 -0.180000 12.0110 0 14932 DPE 124 DPPE H7R HAL2 0.090000 1.0080 0 14933 DPE 124 DPPE H7S HAL2 0.090000 1.0080 0 14934 DPE 124 DPPE C28 CTL2 -0.180000 12.0110 0 14935 DPE 124 DPPE H8R HAL2 0.090000 1.0080 0 14936 DPE 124 DPPE H8S HAL2 0.090000 1.0080 0 14937 DPE 124 DPPE C29 CTL2 -0.180000 12.0110 0 14938 DPE 124 DPPE H9R HAL2 0.090000 1.0080 0 14939 DPE 124 DPPE H9S HAL2 0.090000 1.0080 0 14940 DPE 124 DPPE C210 CTL2 -0.180000 12.0110 0 14941 DPE 124 DPPE H10R HAL2 0.090000 1.0080 0 14942 DPE 124 DPPE H10S HAL2 0.090000 1.0080 0 14943 DPE 124 DPPE C211 CTL2 -0.180000 12.0110 0 14944 DPE 124 DPPE H11R HAL2 0.090000 1.0080 0 14945 DPE 124 DPPE H11S HAL2 0.090000 1.0080 0 14946 DPE 124 DPPE C212 CTL2 -0.180000 12.0110 0 14947 DPE 124 DPPE H12R HAL2 0.090000 1.0080 0 14948 DPE 124 DPPE H12S HAL2 0.090000 1.0080 0 14949 DPE 124 DPPE C213 CTL2 -0.180000 12.0110 0 14950 DPE 124 DPPE H13R HAL2 0.090000 1.0080 0 14951 DPE 124 DPPE H13S HAL2 0.090000 1.0080 0 14952 DPE 124 DPPE C214 CTL2 -0.180000 12.0110 0 14953 DPE 124 DPPE H14R HAL2 0.090000 1.0080 0 14954 DPE 124 DPPE H14S HAL2 0.090000 1.0080 0 14955 DPE 124 DPPE C215 CTL2 -0.180000 12.0110 0 14956 DPE 124 DPPE H15R HAL2 0.090000 1.0080 0 14957 DPE 124 DPPE H15S HAL2 0.090000 1.0080 0 14958 DPE 124 DPPE C216 CTL3 -0.270000 12.0110 0 14959 DPE 124 DPPE H16R HAL3 0.090000 1.0080 0 14960 DPE 124 DPPE H16S HAL3 0.090000 1.0080 0 14961 DPE 124 DPPE H16T HAL3 0.090000 1.0080 0 14962 DPE 124 DPPE C33 CTL2 -0.180000 12.0110 0 14963 DPE 124 DPPE H3X HAL2 0.090000 1.0080 0 14964 DPE 124 DPPE H3Y HAL2 0.090000 1.0080 0 14965 DPE 124 DPPE C34 CTL2 -0.180000 12.0110 0 14966 DPE 124 DPPE H4X HAL2 0.090000 1.0080 0 14967 DPE 124 DPPE H4Y HAL2 0.090000 1.0080 0 14968 DPE 124 DPPE C35 CTL2 -0.180000 12.0110 0 14969 DPE 124 DPPE H5X HAL2 0.090000 1.0080 0 14970 DPE 124 DPPE H5Y HAL2 0.090000 1.0080 0 14971 DPE 124 DPPE C36 CTL2 -0.180000 12.0110 0 14972 DPE 124 DPPE H6X HAL2 0.090000 1.0080 0 14973 DPE 124 DPPE H6Y HAL2 0.090000 1.0080 0 14974 DPE 124 DPPE C37 CTL2 -0.180000 12.0110 0 14975 DPE 124 DPPE H7X HAL2 0.090000 1.0080 0 14976 DPE 124 DPPE H7Y HAL2 0.090000 1.0080 0 14977 DPE 124 DPPE C38 CTL2 -0.180000 12.0110 0 14978 DPE 124 DPPE H8X HAL2 0.090000 1.0080 0 14979 DPE 124 DPPE H8Y HAL2 0.090000 1.0080 0 14980 DPE 124 DPPE C39 CTL2 -0.180000 12.0110 0 14981 DPE 124 DPPE H9X HAL2 0.090000 1.0080 0 14982 DPE 124 DPPE H9Y HAL2 0.090000 1.0080 0 14983 DPE 124 DPPE C310 CTL2 -0.180000 12.0110 0 14984 DPE 124 DPPE H10X HAL2 0.090000 1.0080 0 14985 DPE 124 DPPE H10Y HAL2 0.090000 1.0080 0 14986 DPE 124 DPPE C311 CTL2 -0.180000 12.0110 0 14987 DPE 124 DPPE H11X HAL2 0.090000 1.0080 0 14988 DPE 124 DPPE H11Y HAL2 0.090000 1.0080 0 14989 DPE 124 DPPE C312 CTL2 -0.180000 12.0110 0 14990 DPE 124 DPPE H12X HAL2 0.090000 1.0080 0 14991 DPE 124 DPPE H12Y HAL2 0.090000 1.0080 0 14992 DPE 124 DPPE C313 CTL2 -0.180000 12.0110 0 14993 DPE 124 DPPE H13X HAL2 0.090000 1.0080 0 14994 DPE 124 DPPE H13Y HAL2 0.090000 1.0080 0 14995 DPE 124 DPPE C314 CTL2 -0.180000 12.0110 0 14996 DPE 124 DPPE H14X HAL2 0.090000 1.0080 0 14997 DPE 124 DPPE H14Y HAL2 0.090000 1.0080 0 14998 DPE 124 DPPE C315 CTL2 -0.180000 12.0110 0 14999 DPE 124 DPPE H15X HAL2 0.090000 1.0080 0 15000 DPE 124 DPPE H15Y HAL2 0.090000 1.0080 0 15001 DPE 124 DPPE C316 CTL3 -0.270000 12.0110 0 15002 DPE 124 DPPE H16X HAL3 0.090000 1.0080 0 15003 DPE 124 DPPE H16Y HAL3 0.090000 1.0080 0 15004 DPE 124 DPPE H16Z HAL3 0.090000 1.0080 0 15005 DPE 125 DPPE N NH3L -0.300000 14.0070 0 15006 DPE 125 DPPE HN1 HCL 0.330000 1.0080 0 15007 DPE 125 DPPE HN2 HCL 0.330000 1.0080 0 15008 DPE 125 DPPE HN3 HCL 0.330000 1.0080 0 15009 DPE 125 DPPE C12 CTL2 0.130000 12.0110 0 15010 DPE 125 DPPE H12A HAL2 0.090000 1.0080 0 15011 DPE 125 DPPE H12B HAL2 0.090000 1.0080 0 15012 DPE 125 DPPE C11 CTL2 -0.080000 12.0110 0 15013 DPE 125 DPPE H11A HAL2 0.090000 1.0080 0 15014 DPE 125 DPPE H11B HAL2 0.090000 1.0080 0 15015 DPE 125 DPPE P PL 1.500000 30.9740 0 15016 DPE 125 DPPE O13 O2L -0.780000 15.9994 0 15017 DPE 125 DPPE O14 O2L -0.780000 15.9994 0 15018 DPE 125 DPPE O11 OSL -0.570000 15.9994 0 15019 DPE 125 DPPE O12 OSL -0.570000 15.9994 0 15020 DPE 125 DPPE C1 CTL2 -0.080000 12.0110 0 15021 DPE 125 DPPE HA HAL2 0.090000 1.0080 0 15022 DPE 125 DPPE HB HAL2 0.090000 1.0080 0 15023 DPE 125 DPPE C2 CTL1 0.040000 12.0110 0 15024 DPE 125 DPPE HS HAL1 0.090000 1.0080 0 15025 DPE 125 DPPE O21 OSL -0.340000 15.9994 0 15026 DPE 125 DPPE C21 CL 0.630000 12.0110 0 15027 DPE 125 DPPE O22 OBL -0.520000 15.9994 0 15028 DPE 125 DPPE C22 CTL2 -0.080000 12.0110 0 15029 DPE 125 DPPE H2R HAL2 0.090000 1.0080 0 15030 DPE 125 DPPE H2S HAL2 0.090000 1.0080 0 15031 DPE 125 DPPE C3 CTL2 -0.050000 12.0110 0 15032 DPE 125 DPPE HX HAL2 0.090000 1.0080 0 15033 DPE 125 DPPE HY HAL2 0.090000 1.0080 0 15034 DPE 125 DPPE O31 OSL -0.340000 15.9994 0 15035 DPE 125 DPPE C31 CL 0.630000 12.0110 0 15036 DPE 125 DPPE O32 OBL -0.520000 15.9994 0 15037 DPE 125 DPPE C32 CTL2 -0.080000 12.0110 0 15038 DPE 125 DPPE H2X HAL2 0.090000 1.0080 0 15039 DPE 125 DPPE H2Y HAL2 0.090000 1.0080 0 15040 DPE 125 DPPE C23 CTL2 -0.180000 12.0110 0 15041 DPE 125 DPPE H3R HAL2 0.090000 1.0080 0 15042 DPE 125 DPPE H3S HAL2 0.090000 1.0080 0 15043 DPE 125 DPPE C24 CTL2 -0.180000 12.0110 0 15044 DPE 125 DPPE H4R HAL2 0.090000 1.0080 0 15045 DPE 125 DPPE H4S HAL2 0.090000 1.0080 0 15046 DPE 125 DPPE C25 CTL2 -0.180000 12.0110 0 15047 DPE 125 DPPE H5R HAL2 0.090000 1.0080 0 15048 DPE 125 DPPE H5S HAL2 0.090000 1.0080 0 15049 DPE 125 DPPE C26 CTL2 -0.180000 12.0110 0 15050 DPE 125 DPPE H6R HAL2 0.090000 1.0080 0 15051 DPE 125 DPPE H6S HAL2 0.090000 1.0080 0 15052 DPE 125 DPPE C27 CTL2 -0.180000 12.0110 0 15053 DPE 125 DPPE H7R HAL2 0.090000 1.0080 0 15054 DPE 125 DPPE H7S HAL2 0.090000 1.0080 0 15055 DPE 125 DPPE C28 CTL2 -0.180000 12.0110 0 15056 DPE 125 DPPE H8R HAL2 0.090000 1.0080 0 15057 DPE 125 DPPE H8S HAL2 0.090000 1.0080 0 15058 DPE 125 DPPE C29 CTL2 -0.180000 12.0110 0 15059 DPE 125 DPPE H9R HAL2 0.090000 1.0080 0 15060 DPE 125 DPPE H9S HAL2 0.090000 1.0080 0 15061 DPE 125 DPPE C210 CTL2 -0.180000 12.0110 0 15062 DPE 125 DPPE H10R HAL2 0.090000 1.0080 0 15063 DPE 125 DPPE H10S HAL2 0.090000 1.0080 0 15064 DPE 125 DPPE C211 CTL2 -0.180000 12.0110 0 15065 DPE 125 DPPE H11R HAL2 0.090000 1.0080 0 15066 DPE 125 DPPE H11S HAL2 0.090000 1.0080 0 15067 DPE 125 DPPE C212 CTL2 -0.180000 12.0110 0 15068 DPE 125 DPPE H12R HAL2 0.090000 1.0080 0 15069 DPE 125 DPPE H12S HAL2 0.090000 1.0080 0 15070 DPE 125 DPPE C213 CTL2 -0.180000 12.0110 0 15071 DPE 125 DPPE H13R HAL2 0.090000 1.0080 0 15072 DPE 125 DPPE H13S HAL2 0.090000 1.0080 0 15073 DPE 125 DPPE C214 CTL2 -0.180000 12.0110 0 15074 DPE 125 DPPE H14R HAL2 0.090000 1.0080 0 15075 DPE 125 DPPE H14S HAL2 0.090000 1.0080 0 15076 DPE 125 DPPE C215 CTL2 -0.180000 12.0110 0 15077 DPE 125 DPPE H15R HAL2 0.090000 1.0080 0 15078 DPE 125 DPPE H15S HAL2 0.090000 1.0080 0 15079 DPE 125 DPPE C216 CTL3 -0.270000 12.0110 0 15080 DPE 125 DPPE H16R HAL3 0.090000 1.0080 0 15081 DPE 125 DPPE H16S HAL3 0.090000 1.0080 0 15082 DPE 125 DPPE H16T HAL3 0.090000 1.0080 0 15083 DPE 125 DPPE C33 CTL2 -0.180000 12.0110 0 15084 DPE 125 DPPE H3X HAL2 0.090000 1.0080 0 15085 DPE 125 DPPE H3Y HAL2 0.090000 1.0080 0 15086 DPE 125 DPPE C34 CTL2 -0.180000 12.0110 0 15087 DPE 125 DPPE H4X HAL2 0.090000 1.0080 0 15088 DPE 125 DPPE H4Y HAL2 0.090000 1.0080 0 15089 DPE 125 DPPE C35 CTL2 -0.180000 12.0110 0 15090 DPE 125 DPPE H5X HAL2 0.090000 1.0080 0 15091 DPE 125 DPPE H5Y HAL2 0.090000 1.0080 0 15092 DPE 125 DPPE C36 CTL2 -0.180000 12.0110 0 15093 DPE 125 DPPE H6X HAL2 0.090000 1.0080 0 15094 DPE 125 DPPE H6Y HAL2 0.090000 1.0080 0 15095 DPE 125 DPPE C37 CTL2 -0.180000 12.0110 0 15096 DPE 125 DPPE H7X HAL2 0.090000 1.0080 0 15097 DPE 125 DPPE H7Y HAL2 0.090000 1.0080 0 15098 DPE 125 DPPE C38 CTL2 -0.180000 12.0110 0 15099 DPE 125 DPPE H8X HAL2 0.090000 1.0080 0 15100 DPE 125 DPPE H8Y HAL2 0.090000 1.0080 0 15101 DPE 125 DPPE C39 CTL2 -0.180000 12.0110 0 15102 DPE 125 DPPE H9X HAL2 0.090000 1.0080 0 15103 DPE 125 DPPE H9Y HAL2 0.090000 1.0080 0 15104 DPE 125 DPPE C310 CTL2 -0.180000 12.0110 0 15105 DPE 125 DPPE H10X HAL2 0.090000 1.0080 0 15106 DPE 125 DPPE H10Y HAL2 0.090000 1.0080 0 15107 DPE 125 DPPE C311 CTL2 -0.180000 12.0110 0 15108 DPE 125 DPPE H11X HAL2 0.090000 1.0080 0 15109 DPE 125 DPPE H11Y HAL2 0.090000 1.0080 0 15110 DPE 125 DPPE C312 CTL2 -0.180000 12.0110 0 15111 DPE 125 DPPE H12X HAL2 0.090000 1.0080 0 15112 DPE 125 DPPE H12Y HAL2 0.090000 1.0080 0 15113 DPE 125 DPPE C313 CTL2 -0.180000 12.0110 0 15114 DPE 125 DPPE H13X HAL2 0.090000 1.0080 0 15115 DPE 125 DPPE H13Y HAL2 0.090000 1.0080 0 15116 DPE 125 DPPE C314 CTL2 -0.180000 12.0110 0 15117 DPE 125 DPPE H14X HAL2 0.090000 1.0080 0 15118 DPE 125 DPPE H14Y HAL2 0.090000 1.0080 0 15119 DPE 125 DPPE C315 CTL2 -0.180000 12.0110 0 15120 DPE 125 DPPE H15X HAL2 0.090000 1.0080 0 15121 DPE 125 DPPE H15Y HAL2 0.090000 1.0080 0 15122 DPE 125 DPPE C316 CTL3 -0.270000 12.0110 0 15123 DPE 125 DPPE H16X HAL3 0.090000 1.0080 0 15124 DPE 125 DPPE H16Y HAL3 0.090000 1.0080 0 15125 DPE 125 DPPE H16Z HAL3 0.090000 1.0080 0 15126 DPE 126 DPPE N NH3L -0.300000 14.0070 0 15127 DPE 126 DPPE HN1 HCL 0.330000 1.0080 0 15128 DPE 126 DPPE HN2 HCL 0.330000 1.0080 0 15129 DPE 126 DPPE HN3 HCL 0.330000 1.0080 0 15130 DPE 126 DPPE C12 CTL2 0.130000 12.0110 0 15131 DPE 126 DPPE H12A HAL2 0.090000 1.0080 0 15132 DPE 126 DPPE H12B HAL2 0.090000 1.0080 0 15133 DPE 126 DPPE C11 CTL2 -0.080000 12.0110 0 15134 DPE 126 DPPE H11A HAL2 0.090000 1.0080 0 15135 DPE 126 DPPE H11B HAL2 0.090000 1.0080 0 15136 DPE 126 DPPE P PL 1.500000 30.9740 0 15137 DPE 126 DPPE O13 O2L -0.780000 15.9994 0 15138 DPE 126 DPPE O14 O2L -0.780000 15.9994 0 15139 DPE 126 DPPE O11 OSL -0.570000 15.9994 0 15140 DPE 126 DPPE O12 OSL -0.570000 15.9994 0 15141 DPE 126 DPPE C1 CTL2 -0.080000 12.0110 0 15142 DPE 126 DPPE HA HAL2 0.090000 1.0080 0 15143 DPE 126 DPPE HB HAL2 0.090000 1.0080 0 15144 DPE 126 DPPE C2 CTL1 0.040000 12.0110 0 15145 DPE 126 DPPE HS HAL1 0.090000 1.0080 0 15146 DPE 126 DPPE O21 OSL -0.340000 15.9994 0 15147 DPE 126 DPPE C21 CL 0.630000 12.0110 0 15148 DPE 126 DPPE O22 OBL -0.520000 15.9994 0 15149 DPE 126 DPPE C22 CTL2 -0.080000 12.0110 0 15150 DPE 126 DPPE H2R HAL2 0.090000 1.0080 0 15151 DPE 126 DPPE H2S HAL2 0.090000 1.0080 0 15152 DPE 126 DPPE C3 CTL2 -0.050000 12.0110 0 15153 DPE 126 DPPE HX HAL2 0.090000 1.0080 0 15154 DPE 126 DPPE HY HAL2 0.090000 1.0080 0 15155 DPE 126 DPPE O31 OSL -0.340000 15.9994 0 15156 DPE 126 DPPE C31 CL 0.630000 12.0110 0 15157 DPE 126 DPPE O32 OBL -0.520000 15.9994 0 15158 DPE 126 DPPE C32 CTL2 -0.080000 12.0110 0 15159 DPE 126 DPPE H2X HAL2 0.090000 1.0080 0 15160 DPE 126 DPPE H2Y HAL2 0.090000 1.0080 0 15161 DPE 126 DPPE C23 CTL2 -0.180000 12.0110 0 15162 DPE 126 DPPE H3R HAL2 0.090000 1.0080 0 15163 DPE 126 DPPE H3S HAL2 0.090000 1.0080 0 15164 DPE 126 DPPE C24 CTL2 -0.180000 12.0110 0 15165 DPE 126 DPPE H4R HAL2 0.090000 1.0080 0 15166 DPE 126 DPPE H4S HAL2 0.090000 1.0080 0 15167 DPE 126 DPPE C25 CTL2 -0.180000 12.0110 0 15168 DPE 126 DPPE H5R HAL2 0.090000 1.0080 0 15169 DPE 126 DPPE H5S HAL2 0.090000 1.0080 0 15170 DPE 126 DPPE C26 CTL2 -0.180000 12.0110 0 15171 DPE 126 DPPE H6R HAL2 0.090000 1.0080 0 15172 DPE 126 DPPE H6S HAL2 0.090000 1.0080 0 15173 DPE 126 DPPE C27 CTL2 -0.180000 12.0110 0 15174 DPE 126 DPPE H7R HAL2 0.090000 1.0080 0 15175 DPE 126 DPPE H7S HAL2 0.090000 1.0080 0 15176 DPE 126 DPPE C28 CTL2 -0.180000 12.0110 0 15177 DPE 126 DPPE H8R HAL2 0.090000 1.0080 0 15178 DPE 126 DPPE H8S HAL2 0.090000 1.0080 0 15179 DPE 126 DPPE C29 CTL2 -0.180000 12.0110 0 15180 DPE 126 DPPE H9R HAL2 0.090000 1.0080 0 15181 DPE 126 DPPE H9S HAL2 0.090000 1.0080 0 15182 DPE 126 DPPE C210 CTL2 -0.180000 12.0110 0 15183 DPE 126 DPPE H10R HAL2 0.090000 1.0080 0 15184 DPE 126 DPPE H10S HAL2 0.090000 1.0080 0 15185 DPE 126 DPPE C211 CTL2 -0.180000 12.0110 0 15186 DPE 126 DPPE H11R HAL2 0.090000 1.0080 0 15187 DPE 126 DPPE H11S HAL2 0.090000 1.0080 0 15188 DPE 126 DPPE C212 CTL2 -0.180000 12.0110 0 15189 DPE 126 DPPE H12R HAL2 0.090000 1.0080 0 15190 DPE 126 DPPE H12S HAL2 0.090000 1.0080 0 15191 DPE 126 DPPE C213 CTL2 -0.180000 12.0110 0 15192 DPE 126 DPPE H13R HAL2 0.090000 1.0080 0 15193 DPE 126 DPPE H13S HAL2 0.090000 1.0080 0 15194 DPE 126 DPPE C214 CTL2 -0.180000 12.0110 0 15195 DPE 126 DPPE H14R HAL2 0.090000 1.0080 0 15196 DPE 126 DPPE H14S HAL2 0.090000 1.0080 0 15197 DPE 126 DPPE C215 CTL2 -0.180000 12.0110 0 15198 DPE 126 DPPE H15R HAL2 0.090000 1.0080 0 15199 DPE 126 DPPE H15S HAL2 0.090000 1.0080 0 15200 DPE 126 DPPE C216 CTL3 -0.270000 12.0110 0 15201 DPE 126 DPPE H16R HAL3 0.090000 1.0080 0 15202 DPE 126 DPPE H16S HAL3 0.090000 1.0080 0 15203 DPE 126 DPPE H16T HAL3 0.090000 1.0080 0 15204 DPE 126 DPPE C33 CTL2 -0.180000 12.0110 0 15205 DPE 126 DPPE H3X HAL2 0.090000 1.0080 0 15206 DPE 126 DPPE H3Y HAL2 0.090000 1.0080 0 15207 DPE 126 DPPE C34 CTL2 -0.180000 12.0110 0 15208 DPE 126 DPPE H4X HAL2 0.090000 1.0080 0 15209 DPE 126 DPPE H4Y HAL2 0.090000 1.0080 0 15210 DPE 126 DPPE C35 CTL2 -0.180000 12.0110 0 15211 DPE 126 DPPE H5X HAL2 0.090000 1.0080 0 15212 DPE 126 DPPE H5Y HAL2 0.090000 1.0080 0 15213 DPE 126 DPPE C36 CTL2 -0.180000 12.0110 0 15214 DPE 126 DPPE H6X HAL2 0.090000 1.0080 0 15215 DPE 126 DPPE H6Y HAL2 0.090000 1.0080 0 15216 DPE 126 DPPE C37 CTL2 -0.180000 12.0110 0 15217 DPE 126 DPPE H7X HAL2 0.090000 1.0080 0 15218 DPE 126 DPPE H7Y HAL2 0.090000 1.0080 0 15219 DPE 126 DPPE C38 CTL2 -0.180000 12.0110 0 15220 DPE 126 DPPE H8X HAL2 0.090000 1.0080 0 15221 DPE 126 DPPE H8Y HAL2 0.090000 1.0080 0 15222 DPE 126 DPPE C39 CTL2 -0.180000 12.0110 0 15223 DPE 126 DPPE H9X HAL2 0.090000 1.0080 0 15224 DPE 126 DPPE H9Y HAL2 0.090000 1.0080 0 15225 DPE 126 DPPE C310 CTL2 -0.180000 12.0110 0 15226 DPE 126 DPPE H10X HAL2 0.090000 1.0080 0 15227 DPE 126 DPPE H10Y HAL2 0.090000 1.0080 0 15228 DPE 126 DPPE C311 CTL2 -0.180000 12.0110 0 15229 DPE 126 DPPE H11X HAL2 0.090000 1.0080 0 15230 DPE 126 DPPE H11Y HAL2 0.090000 1.0080 0 15231 DPE 126 DPPE C312 CTL2 -0.180000 12.0110 0 15232 DPE 126 DPPE H12X HAL2 0.090000 1.0080 0 15233 DPE 126 DPPE H12Y HAL2 0.090000 1.0080 0 15234 DPE 126 DPPE C313 CTL2 -0.180000 12.0110 0 15235 DPE 126 DPPE H13X HAL2 0.090000 1.0080 0 15236 DPE 126 DPPE H13Y HAL2 0.090000 1.0080 0 15237 DPE 126 DPPE C314 CTL2 -0.180000 12.0110 0 15238 DPE 126 DPPE H14X HAL2 0.090000 1.0080 0 15239 DPE 126 DPPE H14Y HAL2 0.090000 1.0080 0 15240 DPE 126 DPPE C315 CTL2 -0.180000 12.0110 0 15241 DPE 126 DPPE H15X HAL2 0.090000 1.0080 0 15242 DPE 126 DPPE H15Y HAL2 0.090000 1.0080 0 15243 DPE 126 DPPE C316 CTL3 -0.270000 12.0110 0 15244 DPE 126 DPPE H16X HAL3 0.090000 1.0080 0 15245 DPE 126 DPPE H16Y HAL3 0.090000 1.0080 0 15246 DPE 126 DPPE H16Z HAL3 0.090000 1.0080 0 15247 DPE 127 DPPE N NH3L -0.300000 14.0070 0 15248 DPE 127 DPPE HN1 HCL 0.330000 1.0080 0 15249 DPE 127 DPPE HN2 HCL 0.330000 1.0080 0 15250 DPE 127 DPPE HN3 HCL 0.330000 1.0080 0 15251 DPE 127 DPPE C12 CTL2 0.130000 12.0110 0 15252 DPE 127 DPPE H12A HAL2 0.090000 1.0080 0 15253 DPE 127 DPPE H12B HAL2 0.090000 1.0080 0 15254 DPE 127 DPPE C11 CTL2 -0.080000 12.0110 0 15255 DPE 127 DPPE H11A HAL2 0.090000 1.0080 0 15256 DPE 127 DPPE H11B HAL2 0.090000 1.0080 0 15257 DPE 127 DPPE P PL 1.500000 30.9740 0 15258 DPE 127 DPPE O13 O2L -0.780000 15.9994 0 15259 DPE 127 DPPE O14 O2L -0.780000 15.9994 0 15260 DPE 127 DPPE O11 OSL -0.570000 15.9994 0 15261 DPE 127 DPPE O12 OSL -0.570000 15.9994 0 15262 DPE 127 DPPE C1 CTL2 -0.080000 12.0110 0 15263 DPE 127 DPPE HA HAL2 0.090000 1.0080 0 15264 DPE 127 DPPE HB HAL2 0.090000 1.0080 0 15265 DPE 127 DPPE C2 CTL1 0.040000 12.0110 0 15266 DPE 127 DPPE HS HAL1 0.090000 1.0080 0 15267 DPE 127 DPPE O21 OSL -0.340000 15.9994 0 15268 DPE 127 DPPE C21 CL 0.630000 12.0110 0 15269 DPE 127 DPPE O22 OBL -0.520000 15.9994 0 15270 DPE 127 DPPE C22 CTL2 -0.080000 12.0110 0 15271 DPE 127 DPPE H2R HAL2 0.090000 1.0080 0 15272 DPE 127 DPPE H2S HAL2 0.090000 1.0080 0 15273 DPE 127 DPPE C3 CTL2 -0.050000 12.0110 0 15274 DPE 127 DPPE HX HAL2 0.090000 1.0080 0 15275 DPE 127 DPPE HY HAL2 0.090000 1.0080 0 15276 DPE 127 DPPE O31 OSL -0.340000 15.9994 0 15277 DPE 127 DPPE C31 CL 0.630000 12.0110 0 15278 DPE 127 DPPE O32 OBL -0.520000 15.9994 0 15279 DPE 127 DPPE C32 CTL2 -0.080000 12.0110 0 15280 DPE 127 DPPE H2X HAL2 0.090000 1.0080 0 15281 DPE 127 DPPE H2Y HAL2 0.090000 1.0080 0 15282 DPE 127 DPPE C23 CTL2 -0.180000 12.0110 0 15283 DPE 127 DPPE H3R HAL2 0.090000 1.0080 0 15284 DPE 127 DPPE H3S HAL2 0.090000 1.0080 0 15285 DPE 127 DPPE C24 CTL2 -0.180000 12.0110 0 15286 DPE 127 DPPE H4R HAL2 0.090000 1.0080 0 15287 DPE 127 DPPE H4S HAL2 0.090000 1.0080 0 15288 DPE 127 DPPE C25 CTL2 -0.180000 12.0110 0 15289 DPE 127 DPPE H5R HAL2 0.090000 1.0080 0 15290 DPE 127 DPPE H5S HAL2 0.090000 1.0080 0 15291 DPE 127 DPPE C26 CTL2 -0.180000 12.0110 0 15292 DPE 127 DPPE H6R HAL2 0.090000 1.0080 0 15293 DPE 127 DPPE H6S HAL2 0.090000 1.0080 0 15294 DPE 127 DPPE C27 CTL2 -0.180000 12.0110 0 15295 DPE 127 DPPE H7R HAL2 0.090000 1.0080 0 15296 DPE 127 DPPE H7S HAL2 0.090000 1.0080 0 15297 DPE 127 DPPE C28 CTL2 -0.180000 12.0110 0 15298 DPE 127 DPPE H8R HAL2 0.090000 1.0080 0 15299 DPE 127 DPPE H8S HAL2 0.090000 1.0080 0 15300 DPE 127 DPPE C29 CTL2 -0.180000 12.0110 0 15301 DPE 127 DPPE H9R HAL2 0.090000 1.0080 0 15302 DPE 127 DPPE H9S HAL2 0.090000 1.0080 0 15303 DPE 127 DPPE C210 CTL2 -0.180000 12.0110 0 15304 DPE 127 DPPE H10R HAL2 0.090000 1.0080 0 15305 DPE 127 DPPE H10S HAL2 0.090000 1.0080 0 15306 DPE 127 DPPE C211 CTL2 -0.180000 12.0110 0 15307 DPE 127 DPPE H11R HAL2 0.090000 1.0080 0 15308 DPE 127 DPPE H11S HAL2 0.090000 1.0080 0 15309 DPE 127 DPPE C212 CTL2 -0.180000 12.0110 0 15310 DPE 127 DPPE H12R HAL2 0.090000 1.0080 0 15311 DPE 127 DPPE H12S HAL2 0.090000 1.0080 0 15312 DPE 127 DPPE C213 CTL2 -0.180000 12.0110 0 15313 DPE 127 DPPE H13R HAL2 0.090000 1.0080 0 15314 DPE 127 DPPE H13S HAL2 0.090000 1.0080 0 15315 DPE 127 DPPE C214 CTL2 -0.180000 12.0110 0 15316 DPE 127 DPPE H14R HAL2 0.090000 1.0080 0 15317 DPE 127 DPPE H14S HAL2 0.090000 1.0080 0 15318 DPE 127 DPPE C215 CTL2 -0.180000 12.0110 0 15319 DPE 127 DPPE H15R HAL2 0.090000 1.0080 0 15320 DPE 127 DPPE H15S HAL2 0.090000 1.0080 0 15321 DPE 127 DPPE C216 CTL3 -0.270000 12.0110 0 15322 DPE 127 DPPE H16R HAL3 0.090000 1.0080 0 15323 DPE 127 DPPE H16S HAL3 0.090000 1.0080 0 15324 DPE 127 DPPE H16T HAL3 0.090000 1.0080 0 15325 DPE 127 DPPE C33 CTL2 -0.180000 12.0110 0 15326 DPE 127 DPPE H3X HAL2 0.090000 1.0080 0 15327 DPE 127 DPPE H3Y HAL2 0.090000 1.0080 0 15328 DPE 127 DPPE C34 CTL2 -0.180000 12.0110 0 15329 DPE 127 DPPE H4X HAL2 0.090000 1.0080 0 15330 DPE 127 DPPE H4Y HAL2 0.090000 1.0080 0 15331 DPE 127 DPPE C35 CTL2 -0.180000 12.0110 0 15332 DPE 127 DPPE H5X HAL2 0.090000 1.0080 0 15333 DPE 127 DPPE H5Y HAL2 0.090000 1.0080 0 15334 DPE 127 DPPE C36 CTL2 -0.180000 12.0110 0 15335 DPE 127 DPPE H6X HAL2 0.090000 1.0080 0 15336 DPE 127 DPPE H6Y HAL2 0.090000 1.0080 0 15337 DPE 127 DPPE C37 CTL2 -0.180000 12.0110 0 15338 DPE 127 DPPE H7X HAL2 0.090000 1.0080 0 15339 DPE 127 DPPE H7Y HAL2 0.090000 1.0080 0 15340 DPE 127 DPPE C38 CTL2 -0.180000 12.0110 0 15341 DPE 127 DPPE H8X HAL2 0.090000 1.0080 0 15342 DPE 127 DPPE H8Y HAL2 0.090000 1.0080 0 15343 DPE 127 DPPE C39 CTL2 -0.180000 12.0110 0 15344 DPE 127 DPPE H9X HAL2 0.090000 1.0080 0 15345 DPE 127 DPPE H9Y HAL2 0.090000 1.0080 0 15346 DPE 127 DPPE C310 CTL2 -0.180000 12.0110 0 15347 DPE 127 DPPE H10X HAL2 0.090000 1.0080 0 15348 DPE 127 DPPE H10Y HAL2 0.090000 1.0080 0 15349 DPE 127 DPPE C311 CTL2 -0.180000 12.0110 0 15350 DPE 127 DPPE H11X HAL2 0.090000 1.0080 0 15351 DPE 127 DPPE H11Y HAL2 0.090000 1.0080 0 15352 DPE 127 DPPE C312 CTL2 -0.180000 12.0110 0 15353 DPE 127 DPPE H12X HAL2 0.090000 1.0080 0 15354 DPE 127 DPPE H12Y HAL2 0.090000 1.0080 0 15355 DPE 127 DPPE C313 CTL2 -0.180000 12.0110 0 15356 DPE 127 DPPE H13X HAL2 0.090000 1.0080 0 15357 DPE 127 DPPE H13Y HAL2 0.090000 1.0080 0 15358 DPE 127 DPPE C314 CTL2 -0.180000 12.0110 0 15359 DPE 127 DPPE H14X HAL2 0.090000 1.0080 0 15360 DPE 127 DPPE H14Y HAL2 0.090000 1.0080 0 15361 DPE 127 DPPE C315 CTL2 -0.180000 12.0110 0 15362 DPE 127 DPPE H15X HAL2 0.090000 1.0080 0 15363 DPE 127 DPPE H15Y HAL2 0.090000 1.0080 0 15364 DPE 127 DPPE C316 CTL3 -0.270000 12.0110 0 15365 DPE 127 DPPE H16X HAL3 0.090000 1.0080 0 15366 DPE 127 DPPE H16Y HAL3 0.090000 1.0080 0 15367 DPE 127 DPPE H16Z HAL3 0.090000 1.0080 0 15368 DPE 128 DPPE N NH3L -0.300000 14.0070 0 15369 DPE 128 DPPE HN1 HCL 0.330000 1.0080 0 15370 DPE 128 DPPE HN2 HCL 0.330000 1.0080 0 15371 DPE 128 DPPE HN3 HCL 0.330000 1.0080 0 15372 DPE 128 DPPE C12 CTL2 0.130000 12.0110 0 15373 DPE 128 DPPE H12A HAL2 0.090000 1.0080 0 15374 DPE 128 DPPE H12B HAL2 0.090000 1.0080 0 15375 DPE 128 DPPE C11 CTL2 -0.080000 12.0110 0 15376 DPE 128 DPPE H11A HAL2 0.090000 1.0080 0 15377 DPE 128 DPPE H11B HAL2 0.090000 1.0080 0 15378 DPE 128 DPPE P PL 1.500000 30.9740 0 15379 DPE 128 DPPE O13 O2L -0.780000 15.9994 0 15380 DPE 128 DPPE O14 O2L -0.780000 15.9994 0 15381 DPE 128 DPPE O11 OSL -0.570000 15.9994 0 15382 DPE 128 DPPE O12 OSL -0.570000 15.9994 0 15383 DPE 128 DPPE C1 CTL2 -0.080000 12.0110 0 15384 DPE 128 DPPE HA HAL2 0.090000 1.0080 0 15385 DPE 128 DPPE HB HAL2 0.090000 1.0080 0 15386 DPE 128 DPPE C2 CTL1 0.040000 12.0110 0 15387 DPE 128 DPPE HS HAL1 0.090000 1.0080 0 15388 DPE 128 DPPE O21 OSL -0.340000 15.9994 0 15389 DPE 128 DPPE C21 CL 0.630000 12.0110 0 15390 DPE 128 DPPE O22 OBL -0.520000 15.9994 0 15391 DPE 128 DPPE C22 CTL2 -0.080000 12.0110 0 15392 DPE 128 DPPE H2R HAL2 0.090000 1.0080 0 15393 DPE 128 DPPE H2S HAL2 0.090000 1.0080 0 15394 DPE 128 DPPE C3 CTL2 -0.050000 12.0110 0 15395 DPE 128 DPPE HX HAL2 0.090000 1.0080 0 15396 DPE 128 DPPE HY HAL2 0.090000 1.0080 0 15397 DPE 128 DPPE O31 OSL -0.340000 15.9994 0 15398 DPE 128 DPPE C31 CL 0.630000 12.0110 0 15399 DPE 128 DPPE O32 OBL -0.520000 15.9994 0 15400 DPE 128 DPPE C32 CTL2 -0.080000 12.0110 0 15401 DPE 128 DPPE H2X HAL2 0.090000 1.0080 0 15402 DPE 128 DPPE H2Y HAL2 0.090000 1.0080 0 15403 DPE 128 DPPE C23 CTL2 -0.180000 12.0110 0 15404 DPE 128 DPPE H3R HAL2 0.090000 1.0080 0 15405 DPE 128 DPPE H3S HAL2 0.090000 1.0080 0 15406 DPE 128 DPPE C24 CTL2 -0.180000 12.0110 0 15407 DPE 128 DPPE H4R HAL2 0.090000 1.0080 0 15408 DPE 128 DPPE H4S HAL2 0.090000 1.0080 0 15409 DPE 128 DPPE C25 CTL2 -0.180000 12.0110 0 15410 DPE 128 DPPE H5R HAL2 0.090000 1.0080 0 15411 DPE 128 DPPE H5S HAL2 0.090000 1.0080 0 15412 DPE 128 DPPE C26 CTL2 -0.180000 12.0110 0 15413 DPE 128 DPPE H6R HAL2 0.090000 1.0080 0 15414 DPE 128 DPPE H6S HAL2 0.090000 1.0080 0 15415 DPE 128 DPPE C27 CTL2 -0.180000 12.0110 0 15416 DPE 128 DPPE H7R HAL2 0.090000 1.0080 0 15417 DPE 128 DPPE H7S HAL2 0.090000 1.0080 0 15418 DPE 128 DPPE C28 CTL2 -0.180000 12.0110 0 15419 DPE 128 DPPE H8R HAL2 0.090000 1.0080 0 15420 DPE 128 DPPE H8S HAL2 0.090000 1.0080 0 15421 DPE 128 DPPE C29 CTL2 -0.180000 12.0110 0 15422 DPE 128 DPPE H9R HAL2 0.090000 1.0080 0 15423 DPE 128 DPPE H9S HAL2 0.090000 1.0080 0 15424 DPE 128 DPPE C210 CTL2 -0.180000 12.0110 0 15425 DPE 128 DPPE H10R HAL2 0.090000 1.0080 0 15426 DPE 128 DPPE H10S HAL2 0.090000 1.0080 0 15427 DPE 128 DPPE C211 CTL2 -0.180000 12.0110 0 15428 DPE 128 DPPE H11R HAL2 0.090000 1.0080 0 15429 DPE 128 DPPE H11S HAL2 0.090000 1.0080 0 15430 DPE 128 DPPE C212 CTL2 -0.180000 12.0110 0 15431 DPE 128 DPPE H12R HAL2 0.090000 1.0080 0 15432 DPE 128 DPPE H12S HAL2 0.090000 1.0080 0 15433 DPE 128 DPPE C213 CTL2 -0.180000 12.0110 0 15434 DPE 128 DPPE H13R HAL2 0.090000 1.0080 0 15435 DPE 128 DPPE H13S HAL2 0.090000 1.0080 0 15436 DPE 128 DPPE C214 CTL2 -0.180000 12.0110 0 15437 DPE 128 DPPE H14R HAL2 0.090000 1.0080 0 15438 DPE 128 DPPE H14S HAL2 0.090000 1.0080 0 15439 DPE 128 DPPE C215 CTL2 -0.180000 12.0110 0 15440 DPE 128 DPPE H15R HAL2 0.090000 1.0080 0 15441 DPE 128 DPPE H15S HAL2 0.090000 1.0080 0 15442 DPE 128 DPPE C216 CTL3 -0.270000 12.0110 0 15443 DPE 128 DPPE H16R HAL3 0.090000 1.0080 0 15444 DPE 128 DPPE H16S HAL3 0.090000 1.0080 0 15445 DPE 128 DPPE H16T HAL3 0.090000 1.0080 0 15446 DPE 128 DPPE C33 CTL2 -0.180000 12.0110 0 15447 DPE 128 DPPE H3X HAL2 0.090000 1.0080 0 15448 DPE 128 DPPE H3Y HAL2 0.090000 1.0080 0 15449 DPE 128 DPPE C34 CTL2 -0.180000 12.0110 0 15450 DPE 128 DPPE H4X HAL2 0.090000 1.0080 0 15451 DPE 128 DPPE H4Y HAL2 0.090000 1.0080 0 15452 DPE 128 DPPE C35 CTL2 -0.180000 12.0110 0 15453 DPE 128 DPPE H5X HAL2 0.090000 1.0080 0 15454 DPE 128 DPPE H5Y HAL2 0.090000 1.0080 0 15455 DPE 128 DPPE C36 CTL2 -0.180000 12.0110 0 15456 DPE 128 DPPE H6X HAL2 0.090000 1.0080 0 15457 DPE 128 DPPE H6Y HAL2 0.090000 1.0080 0 15458 DPE 128 DPPE C37 CTL2 -0.180000 12.0110 0 15459 DPE 128 DPPE H7X HAL2 0.090000 1.0080 0 15460 DPE 128 DPPE H7Y HAL2 0.090000 1.0080 0 15461 DPE 128 DPPE C38 CTL2 -0.180000 12.0110 0 15462 DPE 128 DPPE H8X HAL2 0.090000 1.0080 0 15463 DPE 128 DPPE H8Y HAL2 0.090000 1.0080 0 15464 DPE 128 DPPE C39 CTL2 -0.180000 12.0110 0 15465 DPE 128 DPPE H9X HAL2 0.090000 1.0080 0 15466 DPE 128 DPPE H9Y HAL2 0.090000 1.0080 0 15467 DPE 128 DPPE C310 CTL2 -0.180000 12.0110 0 15468 DPE 128 DPPE H10X HAL2 0.090000 1.0080 0 15469 DPE 128 DPPE H10Y HAL2 0.090000 1.0080 0 15470 DPE 128 DPPE C311 CTL2 -0.180000 12.0110 0 15471 DPE 128 DPPE H11X HAL2 0.090000 1.0080 0 15472 DPE 128 DPPE H11Y HAL2 0.090000 1.0080 0 15473 DPE 128 DPPE C312 CTL2 -0.180000 12.0110 0 15474 DPE 128 DPPE H12X HAL2 0.090000 1.0080 0 15475 DPE 128 DPPE H12Y HAL2 0.090000 1.0080 0 15476 DPE 128 DPPE C313 CTL2 -0.180000 12.0110 0 15477 DPE 128 DPPE H13X HAL2 0.090000 1.0080 0 15478 DPE 128 DPPE H13Y HAL2 0.090000 1.0080 0 15479 DPE 128 DPPE C314 CTL2 -0.180000 12.0110 0 15480 DPE 128 DPPE H14X HAL2 0.090000 1.0080 0 15481 DPE 128 DPPE H14Y HAL2 0.090000 1.0080 0 15482 DPE 128 DPPE C315 CTL2 -0.180000 12.0110 0 15483 DPE 128 DPPE H15X HAL2 0.090000 1.0080 0 15484 DPE 128 DPPE H15Y HAL2 0.090000 1.0080 0 15485 DPE 128 DPPE C316 CTL3 -0.270000 12.0110 0 15486 DPE 128 DPPE H16X HAL3 0.090000 1.0080 0 15487 DPE 128 DPPE H16Y HAL3 0.090000 1.0080 0 15488 DPE 128 DPPE H16Z HAL3 0.090000 1.0080 0 15489 WAT 1 TIP3 OH2 OT -0.834000 15.9994 0 15490 WAT 1 TIP3 H1 HT 0.417000 1.0080 0 15491 WAT 1 TIP3 H2 HT 0.417000 1.0080 0 15492 WAT 2 TIP3 OH2 OT -0.834000 15.9994 0 15493 WAT 2 TIP3 H1 HT 0.417000 1.0080 0 15494 WAT 2 TIP3 H2 HT 0.417000 1.0080 0 15495 WAT 3 TIP3 OH2 OT -0.834000 15.9994 0 15496 WAT 3 TIP3 H1 HT 0.417000 1.0080 0 15497 WAT 3 TIP3 H2 HT 0.417000 1.0080 0 15498 WAT 4 TIP3 OH2 OT -0.834000 15.9994 0 15499 WAT 4 TIP3 H1 HT 0.417000 1.0080 0 15500 WAT 4 TIP3 H2 HT 0.417000 1.0080 0 15501 WAT 5 TIP3 OH2 OT -0.834000 15.9994 0 15502 WAT 5 TIP3 H1 HT 0.417000 1.0080 0 15503 WAT 5 TIP3 H2 HT 0.417000 1.0080 0 15504 WAT 6 TIP3 OH2 OT -0.834000 15.9994 0 15505 WAT 6 TIP3 H1 HT 0.417000 1.0080 0 15506 WAT 6 TIP3 H2 HT 0.417000 1.0080 0 15507 WAT 7 TIP3 OH2 OT -0.834000 15.9994 0 15508 WAT 7 TIP3 H1 HT 0.417000 1.0080 0 15509 WAT 7 TIP3 H2 HT 0.417000 1.0080 0 15510 WAT 8 TIP3 OH2 OT -0.834000 15.9994 0 15511 WAT 8 TIP3 H1 HT 0.417000 1.0080 0 15512 WAT 8 TIP3 H2 HT 0.417000 1.0080 0 15513 WAT 9 TIP3 OH2 OT -0.834000 15.9994 0 15514 WAT 9 TIP3 H1 HT 0.417000 1.0080 0 15515 WAT 9 TIP3 H2 HT 0.417000 1.0080 0 15516 WAT 10 TIP3 OH2 OT -0.834000 15.9994 0 15517 WAT 10 TIP3 H1 HT 0.417000 1.0080 0 15518 WAT 10 TIP3 H2 HT 0.417000 1.0080 0 15519 WAT 11 TIP3 OH2 OT -0.834000 15.9994 0 15520 WAT 11 TIP3 H1 HT 0.417000 1.0080 0 15521 WAT 11 TIP3 H2 HT 0.417000 1.0080 0 15522 WAT 12 TIP3 OH2 OT -0.834000 15.9994 0 15523 WAT 12 TIP3 H1 HT 0.417000 1.0080 0 15524 WAT 12 TIP3 H2 HT 0.417000 1.0080 0 15525 WAT 13 TIP3 OH2 OT -0.834000 15.9994 0 15526 WAT 13 TIP3 H1 HT 0.417000 1.0080 0 15527 WAT 13 TIP3 H2 HT 0.417000 1.0080 0 15528 WAT 14 TIP3 OH2 OT -0.834000 15.9994 0 15529 WAT 14 TIP3 H1 HT 0.417000 1.0080 0 15530 WAT 14 TIP3 H2 HT 0.417000 1.0080 0 15531 WAT 15 TIP3 OH2 OT -0.834000 15.9994 0 15532 WAT 15 TIP3 H1 HT 0.417000 1.0080 0 15533 WAT 15 TIP3 H2 HT 0.417000 1.0080 0 15534 WAT 16 TIP3 OH2 OT -0.834000 15.9994 0 15535 WAT 16 TIP3 H1 HT 0.417000 1.0080 0 15536 WAT 16 TIP3 H2 HT 0.417000 1.0080 0 15537 WAT 17 TIP3 OH2 OT -0.834000 15.9994 0 15538 WAT 17 TIP3 H1 HT 0.417000 1.0080 0 15539 WAT 17 TIP3 H2 HT 0.417000 1.0080 0 15540 WAT 18 TIP3 OH2 OT -0.834000 15.9994 0 15541 WAT 18 TIP3 H1 HT 0.417000 1.0080 0 15542 WAT 18 TIP3 H2 HT 0.417000 1.0080 0 15543 WAT 19 TIP3 OH2 OT -0.834000 15.9994 0 15544 WAT 19 TIP3 H1 HT 0.417000 1.0080 0 15545 WAT 19 TIP3 H2 HT 0.417000 1.0080 0 15546 WAT 20 TIP3 OH2 OT -0.834000 15.9994 0 15547 WAT 20 TIP3 H1 HT 0.417000 1.0080 0 15548 WAT 20 TIP3 H2 HT 0.417000 1.0080 0 15549 WAT 21 TIP3 OH2 OT -0.834000 15.9994 0 15550 WAT 21 TIP3 H1 HT 0.417000 1.0080 0 15551 WAT 21 TIP3 H2 HT 0.417000 1.0080 0 15552 WAT 22 TIP3 OH2 OT -0.834000 15.9994 0 15553 WAT 22 TIP3 H1 HT 0.417000 1.0080 0 15554 WAT 22 TIP3 H2 HT 0.417000 1.0080 0 15555 WAT 23 TIP3 OH2 OT -0.834000 15.9994 0 15556 WAT 23 TIP3 H1 HT 0.417000 1.0080 0 15557 WAT 23 TIP3 H2 HT 0.417000 1.0080 0 15558 WAT 24 TIP3 OH2 OT -0.834000 15.9994 0 15559 WAT 24 TIP3 H1 HT 0.417000 1.0080 0 15560 WAT 24 TIP3 H2 HT 0.417000 1.0080 0 15561 WAT 25 TIP3 OH2 OT -0.834000 15.9994 0 15562 WAT 25 TIP3 H1 HT 0.417000 1.0080 0 15563 WAT 25 TIP3 H2 HT 0.417000 1.0080 0 15564 WAT 26 TIP3 OH2 OT -0.834000 15.9994 0 15565 WAT 26 TIP3 H1 HT 0.417000 1.0080 0 15566 WAT 26 TIP3 H2 HT 0.417000 1.0080 0 15567 WAT 27 TIP3 OH2 OT -0.834000 15.9994 0 15568 WAT 27 TIP3 H1 HT 0.417000 1.0080 0 15569 WAT 27 TIP3 H2 HT 0.417000 1.0080 0 15570 WAT 28 TIP3 OH2 OT -0.834000 15.9994 0 15571 WAT 28 TIP3 H1 HT 0.417000 1.0080 0 15572 WAT 28 TIP3 H2 HT 0.417000 1.0080 0 15573 WAT 29 TIP3 OH2 OT -0.834000 15.9994 0 15574 WAT 29 TIP3 H1 HT 0.417000 1.0080 0 15575 WAT 29 TIP3 H2 HT 0.417000 1.0080 0 15576 WAT 30 TIP3 OH2 OT -0.834000 15.9994 0 15577 WAT 30 TIP3 H1 HT 0.417000 1.0080 0 15578 WAT 30 TIP3 H2 HT 0.417000 1.0080 0 15579 WAT 31 TIP3 OH2 OT -0.834000 15.9994 0 15580 WAT 31 TIP3 H1 HT 0.417000 1.0080 0 15581 WAT 31 TIP3 H2 HT 0.417000 1.0080 0 15582 WAT 32 TIP3 OH2 OT -0.834000 15.9994 0 15583 WAT 32 TIP3 H1 HT 0.417000 1.0080 0 15584 WAT 32 TIP3 H2 HT 0.417000 1.0080 0 15585 WAT 33 TIP3 OH2 OT -0.834000 15.9994 0 15586 WAT 33 TIP3 H1 HT 0.417000 1.0080 0 15587 WAT 33 TIP3 H2 HT 0.417000 1.0080 0 15588 WAT 34 TIP3 OH2 OT -0.834000 15.9994 0 15589 WAT 34 TIP3 H1 HT 0.417000 1.0080 0 15590 WAT 34 TIP3 H2 HT 0.417000 1.0080 0 15591 WAT 35 TIP3 OH2 OT -0.834000 15.9994 0 15592 WAT 35 TIP3 H1 HT 0.417000 1.0080 0 15593 WAT 35 TIP3 H2 HT 0.417000 1.0080 0 15594 WAT 36 TIP3 OH2 OT -0.834000 15.9994 0 15595 WAT 36 TIP3 H1 HT 0.417000 1.0080 0 15596 WAT 36 TIP3 H2 HT 0.417000 1.0080 0 15597 WAT 37 TIP3 OH2 OT -0.834000 15.9994 0 15598 WAT 37 TIP3 H1 HT 0.417000 1.0080 0 15599 WAT 37 TIP3 H2 HT 0.417000 1.0080 0 15600 WAT 38 TIP3 OH2 OT -0.834000 15.9994 0 15601 WAT 38 TIP3 H1 HT 0.417000 1.0080 0 15602 WAT 38 TIP3 H2 HT 0.417000 1.0080 0 15603 WAT 39 TIP3 OH2 OT -0.834000 15.9994 0 15604 WAT 39 TIP3 H1 HT 0.417000 1.0080 0 15605 WAT 39 TIP3 H2 HT 0.417000 1.0080 0 15606 WAT 40 TIP3 OH2 OT -0.834000 15.9994 0 15607 WAT 40 TIP3 H1 HT 0.417000 1.0080 0 15608 WAT 40 TIP3 H2 HT 0.417000 1.0080 0 15609 WAT 41 TIP3 OH2 OT -0.834000 15.9994 0 15610 WAT 41 TIP3 H1 HT 0.417000 1.0080 0 15611 WAT 41 TIP3 H2 HT 0.417000 1.0080 0 15612 WAT 42 TIP3 OH2 OT -0.834000 15.9994 0 15613 WAT 42 TIP3 H1 HT 0.417000 1.0080 0 15614 WAT 42 TIP3 H2 HT 0.417000 1.0080 0 15615 WAT 43 TIP3 OH2 OT -0.834000 15.9994 0 15616 WAT 43 TIP3 H1 HT 0.417000 1.0080 0 15617 WAT 43 TIP3 H2 HT 0.417000 1.0080 0 15618 WAT 44 TIP3 OH2 OT -0.834000 15.9994 0 15619 WAT 44 TIP3 H1 HT 0.417000 1.0080 0 15620 WAT 44 TIP3 H2 HT 0.417000 1.0080 0 15621 WAT 45 TIP3 OH2 OT -0.834000 15.9994 0 15622 WAT 45 TIP3 H1 HT 0.417000 1.0080 0 15623 WAT 45 TIP3 H2 HT 0.417000 1.0080 0 15624 WAT 46 TIP3 OH2 OT -0.834000 15.9994 0 15625 WAT 46 TIP3 H1 HT 0.417000 1.0080 0 15626 WAT 46 TIP3 H2 HT 0.417000 1.0080 0 15627 WAT 47 TIP3 OH2 OT -0.834000 15.9994 0 15628 WAT 47 TIP3 H1 HT 0.417000 1.0080 0 15629 WAT 47 TIP3 H2 HT 0.417000 1.0080 0 15630 WAT 48 TIP3 OH2 OT -0.834000 15.9994 0 15631 WAT 48 TIP3 H1 HT 0.417000 1.0080 0 15632 WAT 48 TIP3 H2 HT 0.417000 1.0080 0 15633 WAT 49 TIP3 OH2 OT -0.834000 15.9994 0 15634 WAT 49 TIP3 H1 HT 0.417000 1.0080 0 15635 WAT 49 TIP3 H2 HT 0.417000 1.0080 0 15636 WAT 50 TIP3 OH2 OT -0.834000 15.9994 0 15637 WAT 50 TIP3 H1 HT 0.417000 1.0080 0 15638 WAT 50 TIP3 H2 HT 0.417000 1.0080 0 15639 WAT 51 TIP3 OH2 OT -0.834000 15.9994 0 15640 WAT 51 TIP3 H1 HT 0.417000 1.0080 0 15641 WAT 51 TIP3 H2 HT 0.417000 1.0080 0 15642 WAT 52 TIP3 OH2 OT -0.834000 15.9994 0 15643 WAT 52 TIP3 H1 HT 0.417000 1.0080 0 15644 WAT 52 TIP3 H2 HT 0.417000 1.0080 0 15645 WAT 53 TIP3 OH2 OT -0.834000 15.9994 0 15646 WAT 53 TIP3 H1 HT 0.417000 1.0080 0 15647 WAT 53 TIP3 H2 HT 0.417000 1.0080 0 15648 WAT 54 TIP3 OH2 OT -0.834000 15.9994 0 15649 WAT 54 TIP3 H1 HT 0.417000 1.0080 0 15650 WAT 54 TIP3 H2 HT 0.417000 1.0080 0 15651 WAT 55 TIP3 OH2 OT -0.834000 15.9994 0 15652 WAT 55 TIP3 H1 HT 0.417000 1.0080 0 15653 WAT 55 TIP3 H2 HT 0.417000 1.0080 0 15654 WAT 56 TIP3 OH2 OT -0.834000 15.9994 0 15655 WAT 56 TIP3 H1 HT 0.417000 1.0080 0 15656 WAT 56 TIP3 H2 HT 0.417000 1.0080 0 15657 WAT 57 TIP3 OH2 OT -0.834000 15.9994 0 15658 WAT 57 TIP3 H1 HT 0.417000 1.0080 0 15659 WAT 57 TIP3 H2 HT 0.417000 1.0080 0 15660 WAT 58 TIP3 OH2 OT -0.834000 15.9994 0 15661 WAT 58 TIP3 H1 HT 0.417000 1.0080 0 15662 WAT 58 TIP3 H2 HT 0.417000 1.0080 0 15663 WAT 59 TIP3 OH2 OT -0.834000 15.9994 0 15664 WAT 59 TIP3 H1 HT 0.417000 1.0080 0 15665 WAT 59 TIP3 H2 HT 0.417000 1.0080 0 15666 WAT 60 TIP3 OH2 OT -0.834000 15.9994 0 15667 WAT 60 TIP3 H1 HT 0.417000 1.0080 0 15668 WAT 60 TIP3 H2 HT 0.417000 1.0080 0 15669 WAT 61 TIP3 OH2 OT -0.834000 15.9994 0 15670 WAT 61 TIP3 H1 HT 0.417000 1.0080 0 15671 WAT 61 TIP3 H2 HT 0.417000 1.0080 0 15672 WAT 62 TIP3 OH2 OT -0.834000 15.9994 0 15673 WAT 62 TIP3 H1 HT 0.417000 1.0080 0 15674 WAT 62 TIP3 H2 HT 0.417000 1.0080 0 15675 WAT 63 TIP3 OH2 OT -0.834000 15.9994 0 15676 WAT 63 TIP3 H1 HT 0.417000 1.0080 0 15677 WAT 63 TIP3 H2 HT 0.417000 1.0080 0 15678 WAT 64 TIP3 OH2 OT -0.834000 15.9994 0 15679 WAT 64 TIP3 H1 HT 0.417000 1.0080 0 15680 WAT 64 TIP3 H2 HT 0.417000 1.0080 0 15681 WAT 65 TIP3 OH2 OT -0.834000 15.9994 0 15682 WAT 65 TIP3 H1 HT 0.417000 1.0080 0 15683 WAT 65 TIP3 H2 HT 0.417000 1.0080 0 15684 WAT 66 TIP3 OH2 OT -0.834000 15.9994 0 15685 WAT 66 TIP3 H1 HT 0.417000 1.0080 0 15686 WAT 66 TIP3 H2 HT 0.417000 1.0080 0 15687 WAT 67 TIP3 OH2 OT -0.834000 15.9994 0 15688 WAT 67 TIP3 H1 HT 0.417000 1.0080 0 15689 WAT 67 TIP3 H2 HT 0.417000 1.0080 0 15690 WAT 68 TIP3 OH2 OT -0.834000 15.9994 0 15691 WAT 68 TIP3 H1 HT 0.417000 1.0080 0 15692 WAT 68 TIP3 H2 HT 0.417000 1.0080 0 15693 WAT 69 TIP3 OH2 OT -0.834000 15.9994 0 15694 WAT 69 TIP3 H1 HT 0.417000 1.0080 0 15695 WAT 69 TIP3 H2 HT 0.417000 1.0080 0 15696 WAT 70 TIP3 OH2 OT -0.834000 15.9994 0 15697 WAT 70 TIP3 H1 HT 0.417000 1.0080 0 15698 WAT 70 TIP3 H2 HT 0.417000 1.0080 0 15699 WAT 71 TIP3 OH2 OT -0.834000 15.9994 0 15700 WAT 71 TIP3 H1 HT 0.417000 1.0080 0 15701 WAT 71 TIP3 H2 HT 0.417000 1.0080 0 15702 WAT 72 TIP3 OH2 OT -0.834000 15.9994 0 15703 WAT 72 TIP3 H1 HT 0.417000 1.0080 0 15704 WAT 72 TIP3 H2 HT 0.417000 1.0080 0 15705 WAT 73 TIP3 OH2 OT -0.834000 15.9994 0 15706 WAT 73 TIP3 H1 HT 0.417000 1.0080 0 15707 WAT 73 TIP3 H2 HT 0.417000 1.0080 0 15708 WAT 74 TIP3 OH2 OT -0.834000 15.9994 0 15709 WAT 74 TIP3 H1 HT 0.417000 1.0080 0 15710 WAT 74 TIP3 H2 HT 0.417000 1.0080 0 15711 WAT 75 TIP3 OH2 OT -0.834000 15.9994 0 15712 WAT 75 TIP3 H1 HT 0.417000 1.0080 0 15713 WAT 75 TIP3 H2 HT 0.417000 1.0080 0 15714 WAT 76 TIP3 OH2 OT -0.834000 15.9994 0 15715 WAT 76 TIP3 H1 HT 0.417000 1.0080 0 15716 WAT 76 TIP3 H2 HT 0.417000 1.0080 0 15717 WAT 77 TIP3 OH2 OT -0.834000 15.9994 0 15718 WAT 77 TIP3 H1 HT 0.417000 1.0080 0 15719 WAT 77 TIP3 H2 HT 0.417000 1.0080 0 15720 WAT 78 TIP3 OH2 OT -0.834000 15.9994 0 15721 WAT 78 TIP3 H1 HT 0.417000 1.0080 0 15722 WAT 78 TIP3 H2 HT 0.417000 1.0080 0 15723 WAT 79 TIP3 OH2 OT -0.834000 15.9994 0 15724 WAT 79 TIP3 H1 HT 0.417000 1.0080 0 15725 WAT 79 TIP3 H2 HT 0.417000 1.0080 0 15726 WAT 80 TIP3 OH2 OT -0.834000 15.9994 0 15727 WAT 80 TIP3 H1 HT 0.417000 1.0080 0 15728 WAT 80 TIP3 H2 HT 0.417000 1.0080 0 15729 WAT 81 TIP3 OH2 OT -0.834000 15.9994 0 15730 WAT 81 TIP3 H1 HT 0.417000 1.0080 0 15731 WAT 81 TIP3 H2 HT 0.417000 1.0080 0 15732 WAT 82 TIP3 OH2 OT -0.834000 15.9994 0 15733 WAT 82 TIP3 H1 HT 0.417000 1.0080 0 15734 WAT 82 TIP3 H2 HT 0.417000 1.0080 0 15735 WAT 83 TIP3 OH2 OT -0.834000 15.9994 0 15736 WAT 83 TIP3 H1 HT 0.417000 1.0080 0 15737 WAT 83 TIP3 H2 HT 0.417000 1.0080 0 15738 WAT 84 TIP3 OH2 OT -0.834000 15.9994 0 15739 WAT 84 TIP3 H1 HT 0.417000 1.0080 0 15740 WAT 84 TIP3 H2 HT 0.417000 1.0080 0 15741 WAT 85 TIP3 OH2 OT -0.834000 15.9994 0 15742 WAT 85 TIP3 H1 HT 0.417000 1.0080 0 15743 WAT 85 TIP3 H2 HT 0.417000 1.0080 0 15744 WAT 86 TIP3 OH2 OT -0.834000 15.9994 0 15745 WAT 86 TIP3 H1 HT 0.417000 1.0080 0 15746 WAT 86 TIP3 H2 HT 0.417000 1.0080 0 15747 WAT 87 TIP3 OH2 OT -0.834000 15.9994 0 15748 WAT 87 TIP3 H1 HT 0.417000 1.0080 0 15749 WAT 87 TIP3 H2 HT 0.417000 1.0080 0 15750 WAT 88 TIP3 OH2 OT -0.834000 15.9994 0 15751 WAT 88 TIP3 H1 HT 0.417000 1.0080 0 15752 WAT 88 TIP3 H2 HT 0.417000 1.0080 0 15753 WAT 89 TIP3 OH2 OT -0.834000 15.9994 0 15754 WAT 89 TIP3 H1 HT 0.417000 1.0080 0 15755 WAT 89 TIP3 H2 HT 0.417000 1.0080 0 15756 WAT 90 TIP3 OH2 OT -0.834000 15.9994 0 15757 WAT 90 TIP3 H1 HT 0.417000 1.0080 0 15758 WAT 90 TIP3 H2 HT 0.417000 1.0080 0 15759 WAT 91 TIP3 OH2 OT -0.834000 15.9994 0 15760 WAT 91 TIP3 H1 HT 0.417000 1.0080 0 15761 WAT 91 TIP3 H2 HT 0.417000 1.0080 0 15762 WAT 92 TIP3 OH2 OT -0.834000 15.9994 0 15763 WAT 92 TIP3 H1 HT 0.417000 1.0080 0 15764 WAT 92 TIP3 H2 HT 0.417000 1.0080 0 15765 WAT 93 TIP3 OH2 OT -0.834000 15.9994 0 15766 WAT 93 TIP3 H1 HT 0.417000 1.0080 0 15767 WAT 93 TIP3 H2 HT 0.417000 1.0080 0 15768 WAT 94 TIP3 OH2 OT -0.834000 15.9994 0 15769 WAT 94 TIP3 H1 HT 0.417000 1.0080 0 15770 WAT 94 TIP3 H2 HT 0.417000 1.0080 0 15771 WAT 95 TIP3 OH2 OT -0.834000 15.9994 0 15772 WAT 95 TIP3 H1 HT 0.417000 1.0080 0 15773 WAT 95 TIP3 H2 HT 0.417000 1.0080 0 15774 WAT 96 TIP3 OH2 OT -0.834000 15.9994 0 15775 WAT 96 TIP3 H1 HT 0.417000 1.0080 0 15776 WAT 96 TIP3 H2 HT 0.417000 1.0080 0 15777 WAT 97 TIP3 OH2 OT -0.834000 15.9994 0 15778 WAT 97 TIP3 H1 HT 0.417000 1.0080 0 15779 WAT 97 TIP3 H2 HT 0.417000 1.0080 0 15780 WAT 98 TIP3 OH2 OT -0.834000 15.9994 0 15781 WAT 98 TIP3 H1 HT 0.417000 1.0080 0 15782 WAT 98 TIP3 H2 HT 0.417000 1.0080 0 15783 WAT 99 TIP3 OH2 OT -0.834000 15.9994 0 15784 WAT 99 TIP3 H1 HT 0.417000 1.0080 0 15785 WAT 99 TIP3 H2 HT 0.417000 1.0080 0 15786 WAT 100 TIP3 OH2 OT -0.834000 15.9994 0 15787 WAT 100 TIP3 H1 HT 0.417000 1.0080 0 15788 WAT 100 TIP3 H2 HT 0.417000 1.0080 0 15789 WAT 101 TIP3 OH2 OT -0.834000 15.9994 0 15790 WAT 101 TIP3 H1 HT 0.417000 1.0080 0 15791 WAT 101 TIP3 H2 HT 0.417000 1.0080 0 15792 WAT 102 TIP3 OH2 OT -0.834000 15.9994 0 15793 WAT 102 TIP3 H1 HT 0.417000 1.0080 0 15794 WAT 102 TIP3 H2 HT 0.417000 1.0080 0 15795 WAT 103 TIP3 OH2 OT -0.834000 15.9994 0 15796 WAT 103 TIP3 H1 HT 0.417000 1.0080 0 15797 WAT 103 TIP3 H2 HT 0.417000 1.0080 0 15798 WAT 104 TIP3 OH2 OT -0.834000 15.9994 0 15799 WAT 104 TIP3 H1 HT 0.417000 1.0080 0 15800 WAT 104 TIP3 H2 HT 0.417000 1.0080 0 15801 WAT 105 TIP3 OH2 OT -0.834000 15.9994 0 15802 WAT 105 TIP3 H1 HT 0.417000 1.0080 0 15803 WAT 105 TIP3 H2 HT 0.417000 1.0080 0 15804 WAT 106 TIP3 OH2 OT -0.834000 15.9994 0 15805 WAT 106 TIP3 H1 HT 0.417000 1.0080 0 15806 WAT 106 TIP3 H2 HT 0.417000 1.0080 0 15807 WAT 107 TIP3 OH2 OT -0.834000 15.9994 0 15808 WAT 107 TIP3 H1 HT 0.417000 1.0080 0 15809 WAT 107 TIP3 H2 HT 0.417000 1.0080 0 15810 WAT 108 TIP3 OH2 OT -0.834000 15.9994 0 15811 WAT 108 TIP3 H1 HT 0.417000 1.0080 0 15812 WAT 108 TIP3 H2 HT 0.417000 1.0080 0 15813 WAT 109 TIP3 OH2 OT -0.834000 15.9994 0 15814 WAT 109 TIP3 H1 HT 0.417000 1.0080 0 15815 WAT 109 TIP3 H2 HT 0.417000 1.0080 0 15816 WAT 110 TIP3 OH2 OT -0.834000 15.9994 0 15817 WAT 110 TIP3 H1 HT 0.417000 1.0080 0 15818 WAT 110 TIP3 H2 HT 0.417000 1.0080 0 15819 WAT 111 TIP3 OH2 OT -0.834000 15.9994 0 15820 WAT 111 TIP3 H1 HT 0.417000 1.0080 0 15821 WAT 111 TIP3 H2 HT 0.417000 1.0080 0 15822 WAT 112 TIP3 OH2 OT -0.834000 15.9994 0 15823 WAT 112 TIP3 H1 HT 0.417000 1.0080 0 15824 WAT 112 TIP3 H2 HT 0.417000 1.0080 0 15825 WAT 113 TIP3 OH2 OT -0.834000 15.9994 0 15826 WAT 113 TIP3 H1 HT 0.417000 1.0080 0 15827 WAT 113 TIP3 H2 HT 0.417000 1.0080 0 15828 WAT 114 TIP3 OH2 OT -0.834000 15.9994 0 15829 WAT 114 TIP3 H1 HT 0.417000 1.0080 0 15830 WAT 114 TIP3 H2 HT 0.417000 1.0080 0 15831 WAT 115 TIP3 OH2 OT -0.834000 15.9994 0 15832 WAT 115 TIP3 H1 HT 0.417000 1.0080 0 15833 WAT 115 TIP3 H2 HT 0.417000 1.0080 0 15834 WAT 116 TIP3 OH2 OT -0.834000 15.9994 0 15835 WAT 116 TIP3 H1 HT 0.417000 1.0080 0 15836 WAT 116 TIP3 H2 HT 0.417000 1.0080 0 15837 WAT 117 TIP3 OH2 OT -0.834000 15.9994 0 15838 WAT 117 TIP3 H1 HT 0.417000 1.0080 0 15839 WAT 117 TIP3 H2 HT 0.417000 1.0080 0 15840 WAT 118 TIP3 OH2 OT -0.834000 15.9994 0 15841 WAT 118 TIP3 H1 HT 0.417000 1.0080 0 15842 WAT 118 TIP3 H2 HT 0.417000 1.0080 0 15843 WAT 119 TIP3 OH2 OT -0.834000 15.9994 0 15844 WAT 119 TIP3 H1 HT 0.417000 1.0080 0 15845 WAT 119 TIP3 H2 HT 0.417000 1.0080 0 15846 WAT 120 TIP3 OH2 OT -0.834000 15.9994 0 15847 WAT 120 TIP3 H1 HT 0.417000 1.0080 0 15848 WAT 120 TIP3 H2 HT 0.417000 1.0080 0 15849 WAT 121 TIP3 OH2 OT -0.834000 15.9994 0 15850 WAT 121 TIP3 H1 HT 0.417000 1.0080 0 15851 WAT 121 TIP3 H2 HT 0.417000 1.0080 0 15852 WAT 122 TIP3 OH2 OT -0.834000 15.9994 0 15853 WAT 122 TIP3 H1 HT 0.417000 1.0080 0 15854 WAT 122 TIP3 H2 HT 0.417000 1.0080 0 15855 WAT 123 TIP3 OH2 OT -0.834000 15.9994 0 15856 WAT 123 TIP3 H1 HT 0.417000 1.0080 0 15857 WAT 123 TIP3 H2 HT 0.417000 1.0080 0 15858 WAT 124 TIP3 OH2 OT -0.834000 15.9994 0 15859 WAT 124 TIP3 H1 HT 0.417000 1.0080 0 15860 WAT 124 TIP3 H2 HT 0.417000 1.0080 0 15861 WAT 125 TIP3 OH2 OT -0.834000 15.9994 0 15862 WAT 125 TIP3 H1 HT 0.417000 1.0080 0 15863 WAT 125 TIP3 H2 HT 0.417000 1.0080 0 15864 WAT 126 TIP3 OH2 OT -0.834000 15.9994 0 15865 WAT 126 TIP3 H1 HT 0.417000 1.0080 0 15866 WAT 126 TIP3 H2 HT 0.417000 1.0080 0 15867 WAT 127 TIP3 OH2 OT -0.834000 15.9994 0 15868 WAT 127 TIP3 H1 HT 0.417000 1.0080 0 15869 WAT 127 TIP3 H2 HT 0.417000 1.0080 0 15870 WAT 128 TIP3 OH2 OT -0.834000 15.9994 0 15871 WAT 128 TIP3 H1 HT 0.417000 1.0080 0 15872 WAT 128 TIP3 H2 HT 0.417000 1.0080 0 15873 WAT 129 TIP3 OH2 OT -0.834000 15.9994 0 15874 WAT 129 TIP3 H1 HT 0.417000 1.0080 0 15875 WAT 129 TIP3 H2 HT 0.417000 1.0080 0 15876 WAT 130 TIP3 OH2 OT -0.834000 15.9994 0 15877 WAT 130 TIP3 H1 HT 0.417000 1.0080 0 15878 WAT 130 TIP3 H2 HT 0.417000 1.0080 0 15879 WAT 131 TIP3 OH2 OT -0.834000 15.9994 0 15880 WAT 131 TIP3 H1 HT 0.417000 1.0080 0 15881 WAT 131 TIP3 H2 HT 0.417000 1.0080 0 15882 WAT 132 TIP3 OH2 OT -0.834000 15.9994 0 15883 WAT 132 TIP3 H1 HT 0.417000 1.0080 0 15884 WAT 132 TIP3 H2 HT 0.417000 1.0080 0 15885 WAT 133 TIP3 OH2 OT -0.834000 15.9994 0 15886 WAT 133 TIP3 H1 HT 0.417000 1.0080 0 15887 WAT 133 TIP3 H2 HT 0.417000 1.0080 0 15888 WAT 134 TIP3 OH2 OT -0.834000 15.9994 0 15889 WAT 134 TIP3 H1 HT 0.417000 1.0080 0 15890 WAT 134 TIP3 H2 HT 0.417000 1.0080 0 15891 WAT 135 TIP3 OH2 OT -0.834000 15.9994 0 15892 WAT 135 TIP3 H1 HT 0.417000 1.0080 0 15893 WAT 135 TIP3 H2 HT 0.417000 1.0080 0 15894 WAT 136 TIP3 OH2 OT -0.834000 15.9994 0 15895 WAT 136 TIP3 H1 HT 0.417000 1.0080 0 15896 WAT 136 TIP3 H2 HT 0.417000 1.0080 0 15897 WAT 137 TIP3 OH2 OT -0.834000 15.9994 0 15898 WAT 137 TIP3 H1 HT 0.417000 1.0080 0 15899 WAT 137 TIP3 H2 HT 0.417000 1.0080 0 15900 WAT 138 TIP3 OH2 OT -0.834000 15.9994 0 15901 WAT 138 TIP3 H1 HT 0.417000 1.0080 0 15902 WAT 138 TIP3 H2 HT 0.417000 1.0080 0 15903 WAT 139 TIP3 OH2 OT -0.834000 15.9994 0 15904 WAT 139 TIP3 H1 HT 0.417000 1.0080 0 15905 WAT 139 TIP3 H2 HT 0.417000 1.0080 0 15906 WAT 140 TIP3 OH2 OT -0.834000 15.9994 0 15907 WAT 140 TIP3 H1 HT 0.417000 1.0080 0 15908 WAT 140 TIP3 H2 HT 0.417000 1.0080 0 15909 WAT 141 TIP3 OH2 OT -0.834000 15.9994 0 15910 WAT 141 TIP3 H1 HT 0.417000 1.0080 0 15911 WAT 141 TIP3 H2 HT 0.417000 1.0080 0 15912 WAT 142 TIP3 OH2 OT -0.834000 15.9994 0 15913 WAT 142 TIP3 H1 HT 0.417000 1.0080 0 15914 WAT 142 TIP3 H2 HT 0.417000 1.0080 0 15915 WAT 143 TIP3 OH2 OT -0.834000 15.9994 0 15916 WAT 143 TIP3 H1 HT 0.417000 1.0080 0 15917 WAT 143 TIP3 H2 HT 0.417000 1.0080 0 15918 WAT 144 TIP3 OH2 OT -0.834000 15.9994 0 15919 WAT 144 TIP3 H1 HT 0.417000 1.0080 0 15920 WAT 144 TIP3 H2 HT 0.417000 1.0080 0 15921 WAT 145 TIP3 OH2 OT -0.834000 15.9994 0 15922 WAT 145 TIP3 H1 HT 0.417000 1.0080 0 15923 WAT 145 TIP3 H2 HT 0.417000 1.0080 0 15924 WAT 146 TIP3 OH2 OT -0.834000 15.9994 0 15925 WAT 146 TIP3 H1 HT 0.417000 1.0080 0 15926 WAT 146 TIP3 H2 HT 0.417000 1.0080 0 15927 WAT 147 TIP3 OH2 OT -0.834000 15.9994 0 15928 WAT 147 TIP3 H1 HT 0.417000 1.0080 0 15929 WAT 147 TIP3 H2 HT 0.417000 1.0080 0 15930 WAT 148 TIP3 OH2 OT -0.834000 15.9994 0 15931 WAT 148 TIP3 H1 HT 0.417000 1.0080 0 15932 WAT 148 TIP3 H2 HT 0.417000 1.0080 0 15933 WAT 149 TIP3 OH2 OT -0.834000 15.9994 0 15934 WAT 149 TIP3 H1 HT 0.417000 1.0080 0 15935 WAT 149 TIP3 H2 HT 0.417000 1.0080 0 15936 WAT 150 TIP3 OH2 OT -0.834000 15.9994 0 15937 WAT 150 TIP3 H1 HT 0.417000 1.0080 0 15938 WAT 150 TIP3 H2 HT 0.417000 1.0080 0 15939 WAT 151 TIP3 OH2 OT -0.834000 15.9994 0 15940 WAT 151 TIP3 H1 HT 0.417000 1.0080 0 15941 WAT 151 TIP3 H2 HT 0.417000 1.0080 0 15942 WAT 152 TIP3 OH2 OT -0.834000 15.9994 0 15943 WAT 152 TIP3 H1 HT 0.417000 1.0080 0 15944 WAT 152 TIP3 H2 HT 0.417000 1.0080 0 15945 WAT 153 TIP3 OH2 OT -0.834000 15.9994 0 15946 WAT 153 TIP3 H1 HT 0.417000 1.0080 0 15947 WAT 153 TIP3 H2 HT 0.417000 1.0080 0 15948 WAT 154 TIP3 OH2 OT -0.834000 15.9994 0 15949 WAT 154 TIP3 H1 HT 0.417000 1.0080 0 15950 WAT 154 TIP3 H2 HT 0.417000 1.0080 0 15951 WAT 155 TIP3 OH2 OT -0.834000 15.9994 0 15952 WAT 155 TIP3 H1 HT 0.417000 1.0080 0 15953 WAT 155 TIP3 H2 HT 0.417000 1.0080 0 15954 WAT 156 TIP3 OH2 OT -0.834000 15.9994 0 15955 WAT 156 TIP3 H1 HT 0.417000 1.0080 0 15956 WAT 156 TIP3 H2 HT 0.417000 1.0080 0 15957 WAT 157 TIP3 OH2 OT -0.834000 15.9994 0 15958 WAT 157 TIP3 H1 HT 0.417000 1.0080 0 15959 WAT 157 TIP3 H2 HT 0.417000 1.0080 0 15960 WAT 158 TIP3 OH2 OT -0.834000 15.9994 0 15961 WAT 158 TIP3 H1 HT 0.417000 1.0080 0 15962 WAT 158 TIP3 H2 HT 0.417000 1.0080 0 15963 WAT 159 TIP3 OH2 OT -0.834000 15.9994 0 15964 WAT 159 TIP3 H1 HT 0.417000 1.0080 0 15965 WAT 159 TIP3 H2 HT 0.417000 1.0080 0 15966 WAT 160 TIP3 OH2 OT -0.834000 15.9994 0 15967 WAT 160 TIP3 H1 HT 0.417000 1.0080 0 15968 WAT 160 TIP3 H2 HT 0.417000 1.0080 0 15969 WAT 161 TIP3 OH2 OT -0.834000 15.9994 0 15970 WAT 161 TIP3 H1 HT 0.417000 1.0080 0 15971 WAT 161 TIP3 H2 HT 0.417000 1.0080 0 15972 WAT 162 TIP3 OH2 OT -0.834000 15.9994 0 15973 WAT 162 TIP3 H1 HT 0.417000 1.0080 0 15974 WAT 162 TIP3 H2 HT 0.417000 1.0080 0 15975 WAT 163 TIP3 OH2 OT -0.834000 15.9994 0 15976 WAT 163 TIP3 H1 HT 0.417000 1.0080 0 15977 WAT 163 TIP3 H2 HT 0.417000 1.0080 0 15978 WAT 164 TIP3 OH2 OT -0.834000 15.9994 0 15979 WAT 164 TIP3 H1 HT 0.417000 1.0080 0 15980 WAT 164 TIP3 H2 HT 0.417000 1.0080 0 15981 WAT 165 TIP3 OH2 OT -0.834000 15.9994 0 15982 WAT 165 TIP3 H1 HT 0.417000 1.0080 0 15983 WAT 165 TIP3 H2 HT 0.417000 1.0080 0 15984 WAT 166 TIP3 OH2 OT -0.834000 15.9994 0 15985 WAT 166 TIP3 H1 HT 0.417000 1.0080 0 15986 WAT 166 TIP3 H2 HT 0.417000 1.0080 0 15987 WAT 167 TIP3 OH2 OT -0.834000 15.9994 0 15988 WAT 167 TIP3 H1 HT 0.417000 1.0080 0 15989 WAT 167 TIP3 H2 HT 0.417000 1.0080 0 15990 WAT 168 TIP3 OH2 OT -0.834000 15.9994 0 15991 WAT 168 TIP3 H1 HT 0.417000 1.0080 0 15992 WAT 168 TIP3 H2 HT 0.417000 1.0080 0 15993 WAT 169 TIP3 OH2 OT -0.834000 15.9994 0 15994 WAT 169 TIP3 H1 HT 0.417000 1.0080 0 15995 WAT 169 TIP3 H2 HT 0.417000 1.0080 0 15996 WAT 170 TIP3 OH2 OT -0.834000 15.9994 0 15997 WAT 170 TIP3 H1 HT 0.417000 1.0080 0 15998 WAT 170 TIP3 H2 HT 0.417000 1.0080 0 15999 WAT 171 TIP3 OH2 OT -0.834000 15.9994 0 16000 WAT 171 TIP3 H1 HT 0.417000 1.0080 0 16001 WAT 171 TIP3 H2 HT 0.417000 1.0080 0 16002 WAT 172 TIP3 OH2 OT -0.834000 15.9994 0 16003 WAT 172 TIP3 H1 HT 0.417000 1.0080 0 16004 WAT 172 TIP3 H2 HT 0.417000 1.0080 0 16005 WAT 173 TIP3 OH2 OT -0.834000 15.9994 0 16006 WAT 173 TIP3 H1 HT 0.417000 1.0080 0 16007 WAT 173 TIP3 H2 HT 0.417000 1.0080 0 16008 WAT 174 TIP3 OH2 OT -0.834000 15.9994 0 16009 WAT 174 TIP3 H1 HT 0.417000 1.0080 0 16010 WAT 174 TIP3 H2 HT 0.417000 1.0080 0 16011 WAT 175 TIP3 OH2 OT -0.834000 15.9994 0 16012 WAT 175 TIP3 H1 HT 0.417000 1.0080 0 16013 WAT 175 TIP3 H2 HT 0.417000 1.0080 0 16014 WAT 176 TIP3 OH2 OT -0.834000 15.9994 0 16015 WAT 176 TIP3 H1 HT 0.417000 1.0080 0 16016 WAT 176 TIP3 H2 HT 0.417000 1.0080 0 16017 WAT 177 TIP3 OH2 OT -0.834000 15.9994 0 16018 WAT 177 TIP3 H1 HT 0.417000 1.0080 0 16019 WAT 177 TIP3 H2 HT 0.417000 1.0080 0 16020 WAT 178 TIP3 OH2 OT -0.834000 15.9994 0 16021 WAT 178 TIP3 H1 HT 0.417000 1.0080 0 16022 WAT 178 TIP3 H2 HT 0.417000 1.0080 0 16023 WAT 179 TIP3 OH2 OT -0.834000 15.9994 0 16024 WAT 179 TIP3 H1 HT 0.417000 1.0080 0 16025 WAT 179 TIP3 H2 HT 0.417000 1.0080 0 16026 WAT 180 TIP3 OH2 OT -0.834000 15.9994 0 16027 WAT 180 TIP3 H1 HT 0.417000 1.0080 0 16028 WAT 180 TIP3 H2 HT 0.417000 1.0080 0 16029 WAT 181 TIP3 OH2 OT -0.834000 15.9994 0 16030 WAT 181 TIP3 H1 HT 0.417000 1.0080 0 16031 WAT 181 TIP3 H2 HT 0.417000 1.0080 0 16032 WAT 182 TIP3 OH2 OT -0.834000 15.9994 0 16033 WAT 182 TIP3 H1 HT 0.417000 1.0080 0 16034 WAT 182 TIP3 H2 HT 0.417000 1.0080 0 16035 WAT 183 TIP3 OH2 OT -0.834000 15.9994 0 16036 WAT 183 TIP3 H1 HT 0.417000 1.0080 0 16037 WAT 183 TIP3 H2 HT 0.417000 1.0080 0 16038 WAT 184 TIP3 OH2 OT -0.834000 15.9994 0 16039 WAT 184 TIP3 H1 HT 0.417000 1.0080 0 16040 WAT 184 TIP3 H2 HT 0.417000 1.0080 0 16041 WAT 185 TIP3 OH2 OT -0.834000 15.9994 0 16042 WAT 185 TIP3 H1 HT 0.417000 1.0080 0 16043 WAT 185 TIP3 H2 HT 0.417000 1.0080 0 16044 WAT 186 TIP3 OH2 OT -0.834000 15.9994 0 16045 WAT 186 TIP3 H1 HT 0.417000 1.0080 0 16046 WAT 186 TIP3 H2 HT 0.417000 1.0080 0 16047 WAT 187 TIP3 OH2 OT -0.834000 15.9994 0 16048 WAT 187 TIP3 H1 HT 0.417000 1.0080 0 16049 WAT 187 TIP3 H2 HT 0.417000 1.0080 0 16050 WAT 188 TIP3 OH2 OT -0.834000 15.9994 0 16051 WAT 188 TIP3 H1 HT 0.417000 1.0080 0 16052 WAT 188 TIP3 H2 HT 0.417000 1.0080 0 16053 WAT 189 TIP3 OH2 OT -0.834000 15.9994 0 16054 WAT 189 TIP3 H1 HT 0.417000 1.0080 0 16055 WAT 189 TIP3 H2 HT 0.417000 1.0080 0 16056 WAT 190 TIP3 OH2 OT -0.834000 15.9994 0 16057 WAT 190 TIP3 H1 HT 0.417000 1.0080 0 16058 WAT 190 TIP3 H2 HT 0.417000 1.0080 0 16059 WAT 191 TIP3 OH2 OT -0.834000 15.9994 0 16060 WAT 191 TIP3 H1 HT 0.417000 1.0080 0 16061 WAT 191 TIP3 H2 HT 0.417000 1.0080 0 16062 WAT 192 TIP3 OH2 OT -0.834000 15.9994 0 16063 WAT 192 TIP3 H1 HT 0.417000 1.0080 0 16064 WAT 192 TIP3 H2 HT 0.417000 1.0080 0 16065 WAT 193 TIP3 OH2 OT -0.834000 15.9994 0 16066 WAT 193 TIP3 H1 HT 0.417000 1.0080 0 16067 WAT 193 TIP3 H2 HT 0.417000 1.0080 0 16068 WAT 194 TIP3 OH2 OT -0.834000 15.9994 0 16069 WAT 194 TIP3 H1 HT 0.417000 1.0080 0 16070 WAT 194 TIP3 H2 HT 0.417000 1.0080 0 16071 WAT 195 TIP3 OH2 OT -0.834000 15.9994 0 16072 WAT 195 TIP3 H1 HT 0.417000 1.0080 0 16073 WAT 195 TIP3 H2 HT 0.417000 1.0080 0 16074 WAT 196 TIP3 OH2 OT -0.834000 15.9994 0 16075 WAT 196 TIP3 H1 HT 0.417000 1.0080 0 16076 WAT 196 TIP3 H2 HT 0.417000 1.0080 0 16077 WAT 197 TIP3 OH2 OT -0.834000 15.9994 0 16078 WAT 197 TIP3 H1 HT 0.417000 1.0080 0 16079 WAT 197 TIP3 H2 HT 0.417000 1.0080 0 16080 WAT 198 TIP3 OH2 OT -0.834000 15.9994 0 16081 WAT 198 TIP3 H1 HT 0.417000 1.0080 0 16082 WAT 198 TIP3 H2 HT 0.417000 1.0080 0 16083 WAT 199 TIP3 OH2 OT -0.834000 15.9994 0 16084 WAT 199 TIP3 H1 HT 0.417000 1.0080 0 16085 WAT 199 TIP3 H2 HT 0.417000 1.0080 0 16086 WAT 200 TIP3 OH2 OT -0.834000 15.9994 0 16087 WAT 200 TIP3 H1 HT 0.417000 1.0080 0 16088 WAT 200 TIP3 H2 HT 0.417000 1.0080 0 16089 WAT 201 TIP3 OH2 OT -0.834000 15.9994 0 16090 WAT 201 TIP3 H1 HT 0.417000 1.0080 0 16091 WAT 201 TIP3 H2 HT 0.417000 1.0080 0 16092 WAT 202 TIP3 OH2 OT -0.834000 15.9994 0 16093 WAT 202 TIP3 H1 HT 0.417000 1.0080 0 16094 WAT 202 TIP3 H2 HT 0.417000 1.0080 0 16095 WAT 203 TIP3 OH2 OT -0.834000 15.9994 0 16096 WAT 203 TIP3 H1 HT 0.417000 1.0080 0 16097 WAT 203 TIP3 H2 HT 0.417000 1.0080 0 16098 WAT 204 TIP3 OH2 OT -0.834000 15.9994 0 16099 WAT 204 TIP3 H1 HT 0.417000 1.0080 0 16100 WAT 204 TIP3 H2 HT 0.417000 1.0080 0 16101 WAT 205 TIP3 OH2 OT -0.834000 15.9994 0 16102 WAT 205 TIP3 H1 HT 0.417000 1.0080 0 16103 WAT 205 TIP3 H2 HT 0.417000 1.0080 0 16104 WAT 206 TIP3 OH2 OT -0.834000 15.9994 0 16105 WAT 206 TIP3 H1 HT 0.417000 1.0080 0 16106 WAT 206 TIP3 H2 HT 0.417000 1.0080 0 16107 WAT 207 TIP3 OH2 OT -0.834000 15.9994 0 16108 WAT 207 TIP3 H1 HT 0.417000 1.0080 0 16109 WAT 207 TIP3 H2 HT 0.417000 1.0080 0 16110 WAT 208 TIP3 OH2 OT -0.834000 15.9994 0 16111 WAT 208 TIP3 H1 HT 0.417000 1.0080 0 16112 WAT 208 TIP3 H2 HT 0.417000 1.0080 0 16113 WAT 209 TIP3 OH2 OT -0.834000 15.9994 0 16114 WAT 209 TIP3 H1 HT 0.417000 1.0080 0 16115 WAT 209 TIP3 H2 HT 0.417000 1.0080 0 16116 WAT 210 TIP3 OH2 OT -0.834000 15.9994 0 16117 WAT 210 TIP3 H1 HT 0.417000 1.0080 0 16118 WAT 210 TIP3 H2 HT 0.417000 1.0080 0 16119 WAT 211 TIP3 OH2 OT -0.834000 15.9994 0 16120 WAT 211 TIP3 H1 HT 0.417000 1.0080 0 16121 WAT 211 TIP3 H2 HT 0.417000 1.0080 0 16122 WAT 212 TIP3 OH2 OT -0.834000 15.9994 0 16123 WAT 212 TIP3 H1 HT 0.417000 1.0080 0 16124 WAT 212 TIP3 H2 HT 0.417000 1.0080 0 16125 WAT 213 TIP3 OH2 OT -0.834000 15.9994 0 16126 WAT 213 TIP3 H1 HT 0.417000 1.0080 0 16127 WAT 213 TIP3 H2 HT 0.417000 1.0080 0 16128 WAT 214 TIP3 OH2 OT -0.834000 15.9994 0 16129 WAT 214 TIP3 H1 HT 0.417000 1.0080 0 16130 WAT 214 TIP3 H2 HT 0.417000 1.0080 0 16131 WAT 215 TIP3 OH2 OT -0.834000 15.9994 0 16132 WAT 215 TIP3 H1 HT 0.417000 1.0080 0 16133 WAT 215 TIP3 H2 HT 0.417000 1.0080 0 16134 WAT 216 TIP3 OH2 OT -0.834000 15.9994 0 16135 WAT 216 TIP3 H1 HT 0.417000 1.0080 0 16136 WAT 216 TIP3 H2 HT 0.417000 1.0080 0 16137 WAT 217 TIP3 OH2 OT -0.834000 15.9994 0 16138 WAT 217 TIP3 H1 HT 0.417000 1.0080 0 16139 WAT 217 TIP3 H2 HT 0.417000 1.0080 0 16140 WAT 218 TIP3 OH2 OT -0.834000 15.9994 0 16141 WAT 218 TIP3 H1 HT 0.417000 1.0080 0 16142 WAT 218 TIP3 H2 HT 0.417000 1.0080 0 16143 WAT 219 TIP3 OH2 OT -0.834000 15.9994 0 16144 WAT 219 TIP3 H1 HT 0.417000 1.0080 0 16145 WAT 219 TIP3 H2 HT 0.417000 1.0080 0 16146 WAT 220 TIP3 OH2 OT -0.834000 15.9994 0 16147 WAT 220 TIP3 H1 HT 0.417000 1.0080 0 16148 WAT 220 TIP3 H2 HT 0.417000 1.0080 0 16149 WAT 221 TIP3 OH2 OT -0.834000 15.9994 0 16150 WAT 221 TIP3 H1 HT 0.417000 1.0080 0 16151 WAT 221 TIP3 H2 HT 0.417000 1.0080 0 16152 WAT 222 TIP3 OH2 OT -0.834000 15.9994 0 16153 WAT 222 TIP3 H1 HT 0.417000 1.0080 0 16154 WAT 222 TIP3 H2 HT 0.417000 1.0080 0 16155 WAT 223 TIP3 OH2 OT -0.834000 15.9994 0 16156 WAT 223 TIP3 H1 HT 0.417000 1.0080 0 16157 WAT 223 TIP3 H2 HT 0.417000 1.0080 0 16158 WAT 224 TIP3 OH2 OT -0.834000 15.9994 0 16159 WAT 224 TIP3 H1 HT 0.417000 1.0080 0 16160 WAT 224 TIP3 H2 HT 0.417000 1.0080 0 16161 WAT 225 TIP3 OH2 OT -0.834000 15.9994 0 16162 WAT 225 TIP3 H1 HT 0.417000 1.0080 0 16163 WAT 225 TIP3 H2 HT 0.417000 1.0080 0 16164 WAT 226 TIP3 OH2 OT -0.834000 15.9994 0 16165 WAT 226 TIP3 H1 HT 0.417000 1.0080 0 16166 WAT 226 TIP3 H2 HT 0.417000 1.0080 0 16167 WAT 227 TIP3 OH2 OT -0.834000 15.9994 0 16168 WAT 227 TIP3 H1 HT 0.417000 1.0080 0 16169 WAT 227 TIP3 H2 HT 0.417000 1.0080 0 16170 WAT 228 TIP3 OH2 OT -0.834000 15.9994 0 16171 WAT 228 TIP3 H1 HT 0.417000 1.0080 0 16172 WAT 228 TIP3 H2 HT 0.417000 1.0080 0 16173 WAT 229 TIP3 OH2 OT -0.834000 15.9994 0 16174 WAT 229 TIP3 H1 HT 0.417000 1.0080 0 16175 WAT 229 TIP3 H2 HT 0.417000 1.0080 0 16176 WAT 230 TIP3 OH2 OT -0.834000 15.9994 0 16177 WAT 230 TIP3 H1 HT 0.417000 1.0080 0 16178 WAT 230 TIP3 H2 HT 0.417000 1.0080 0 16179 WAT 231 TIP3 OH2 OT -0.834000 15.9994 0 16180 WAT 231 TIP3 H1 HT 0.417000 1.0080 0 16181 WAT 231 TIP3 H2 HT 0.417000 1.0080 0 16182 WAT 232 TIP3 OH2 OT -0.834000 15.9994 0 16183 WAT 232 TIP3 H1 HT 0.417000 1.0080 0 16184 WAT 232 TIP3 H2 HT 0.417000 1.0080 0 16185 WAT 233 TIP3 OH2 OT -0.834000 15.9994 0 16186 WAT 233 TIP3 H1 HT 0.417000 1.0080 0 16187 WAT 233 TIP3 H2 HT 0.417000 1.0080 0 16188 WAT 234 TIP3 OH2 OT -0.834000 15.9994 0 16189 WAT 234 TIP3 H1 HT 0.417000 1.0080 0 16190 WAT 234 TIP3 H2 HT 0.417000 1.0080 0 16191 WAT 235 TIP3 OH2 OT -0.834000 15.9994 0 16192 WAT 235 TIP3 H1 HT 0.417000 1.0080 0 16193 WAT 235 TIP3 H2 HT 0.417000 1.0080 0 16194 WAT 236 TIP3 OH2 OT -0.834000 15.9994 0 16195 WAT 236 TIP3 H1 HT 0.417000 1.0080 0 16196 WAT 236 TIP3 H2 HT 0.417000 1.0080 0 16197 WAT 237 TIP3 OH2 OT -0.834000 15.9994 0 16198 WAT 237 TIP3 H1 HT 0.417000 1.0080 0 16199 WAT 237 TIP3 H2 HT 0.417000 1.0080 0 16200 WAT 238 TIP3 OH2 OT -0.834000 15.9994 0 16201 WAT 238 TIP3 H1 HT 0.417000 1.0080 0 16202 WAT 238 TIP3 H2 HT 0.417000 1.0080 0 16203 WAT 239 TIP3 OH2 OT -0.834000 15.9994 0 16204 WAT 239 TIP3 H1 HT 0.417000 1.0080 0 16205 WAT 239 TIP3 H2 HT 0.417000 1.0080 0 16206 WAT 240 TIP3 OH2 OT -0.834000 15.9994 0 16207 WAT 240 TIP3 H1 HT 0.417000 1.0080 0 16208 WAT 240 TIP3 H2 HT 0.417000 1.0080 0 16209 WAT 241 TIP3 OH2 OT -0.834000 15.9994 0 16210 WAT 241 TIP3 H1 HT 0.417000 1.0080 0 16211 WAT 241 TIP3 H2 HT 0.417000 1.0080 0 16212 WAT 242 TIP3 OH2 OT -0.834000 15.9994 0 16213 WAT 242 TIP3 H1 HT 0.417000 1.0080 0 16214 WAT 242 TIP3 H2 HT 0.417000 1.0080 0 16215 WAT 243 TIP3 OH2 OT -0.834000 15.9994 0 16216 WAT 243 TIP3 H1 HT 0.417000 1.0080 0 16217 WAT 243 TIP3 H2 HT 0.417000 1.0080 0 16218 WAT 244 TIP3 OH2 OT -0.834000 15.9994 0 16219 WAT 244 TIP3 H1 HT 0.417000 1.0080 0 16220 WAT 244 TIP3 H2 HT 0.417000 1.0080 0 16221 WAT 245 TIP3 OH2 OT -0.834000 15.9994 0 16222 WAT 245 TIP3 H1 HT 0.417000 1.0080 0 16223 WAT 245 TIP3 H2 HT 0.417000 1.0080 0 16224 WAT 246 TIP3 OH2 OT -0.834000 15.9994 0 16225 WAT 246 TIP3 H1 HT 0.417000 1.0080 0 16226 WAT 246 TIP3 H2 HT 0.417000 1.0080 0 16227 WAT 247 TIP3 OH2 OT -0.834000 15.9994 0 16228 WAT 247 TIP3 H1 HT 0.417000 1.0080 0 16229 WAT 247 TIP3 H2 HT 0.417000 1.0080 0 16230 WAT 248 TIP3 OH2 OT -0.834000 15.9994 0 16231 WAT 248 TIP3 H1 HT 0.417000 1.0080 0 16232 WAT 248 TIP3 H2 HT 0.417000 1.0080 0 16233 WAT 249 TIP3 OH2 OT -0.834000 15.9994 0 16234 WAT 249 TIP3 H1 HT 0.417000 1.0080 0 16235 WAT 249 TIP3 H2 HT 0.417000 1.0080 0 16236 WAT 250 TIP3 OH2 OT -0.834000 15.9994 0 16237 WAT 250 TIP3 H1 HT 0.417000 1.0080 0 16238 WAT 250 TIP3 H2 HT 0.417000 1.0080 0 16239 WAT 251 TIP3 OH2 OT -0.834000 15.9994 0 16240 WAT 251 TIP3 H1 HT 0.417000 1.0080 0 16241 WAT 251 TIP3 H2 HT 0.417000 1.0080 0 16242 WAT 252 TIP3 OH2 OT -0.834000 15.9994 0 16243 WAT 252 TIP3 H1 HT 0.417000 1.0080 0 16244 WAT 252 TIP3 H2 HT 0.417000 1.0080 0 16245 WAT 253 TIP3 OH2 OT -0.834000 15.9994 0 16246 WAT 253 TIP3 H1 HT 0.417000 1.0080 0 16247 WAT 253 TIP3 H2 HT 0.417000 1.0080 0 16248 WAT 254 TIP3 OH2 OT -0.834000 15.9994 0 16249 WAT 254 TIP3 H1 HT 0.417000 1.0080 0 16250 WAT 254 TIP3 H2 HT 0.417000 1.0080 0 16251 WAT 255 TIP3 OH2 OT -0.834000 15.9994 0 16252 WAT 255 TIP3 H1 HT 0.417000 1.0080 0 16253 WAT 255 TIP3 H2 HT 0.417000 1.0080 0 16254 WAT 256 TIP3 OH2 OT -0.834000 15.9994 0 16255 WAT 256 TIP3 H1 HT 0.417000 1.0080 0 16256 WAT 256 TIP3 H2 HT 0.417000 1.0080 0 16257 WAT 257 TIP3 OH2 OT -0.834000 15.9994 0 16258 WAT 257 TIP3 H1 HT 0.417000 1.0080 0 16259 WAT 257 TIP3 H2 HT 0.417000 1.0080 0 16260 WAT 258 TIP3 OH2 OT -0.834000 15.9994 0 16261 WAT 258 TIP3 H1 HT 0.417000 1.0080 0 16262 WAT 258 TIP3 H2 HT 0.417000 1.0080 0 16263 WAT 259 TIP3 OH2 OT -0.834000 15.9994 0 16264 WAT 259 TIP3 H1 HT 0.417000 1.0080 0 16265 WAT 259 TIP3 H2 HT 0.417000 1.0080 0 16266 WAT 260 TIP3 OH2 OT -0.834000 15.9994 0 16267 WAT 260 TIP3 H1 HT 0.417000 1.0080 0 16268 WAT 260 TIP3 H2 HT 0.417000 1.0080 0 16269 WAT 261 TIP3 OH2 OT -0.834000 15.9994 0 16270 WAT 261 TIP3 H1 HT 0.417000 1.0080 0 16271 WAT 261 TIP3 H2 HT 0.417000 1.0080 0 16272 WAT 262 TIP3 OH2 OT -0.834000 15.9994 0 16273 WAT 262 TIP3 H1 HT 0.417000 1.0080 0 16274 WAT 262 TIP3 H2 HT 0.417000 1.0080 0 16275 WAT 263 TIP3 OH2 OT -0.834000 15.9994 0 16276 WAT 263 TIP3 H1 HT 0.417000 1.0080 0 16277 WAT 263 TIP3 H2 HT 0.417000 1.0080 0 16278 WAT 264 TIP3 OH2 OT -0.834000 15.9994 0 16279 WAT 264 TIP3 H1 HT 0.417000 1.0080 0 16280 WAT 264 TIP3 H2 HT 0.417000 1.0080 0 16281 WAT 265 TIP3 OH2 OT -0.834000 15.9994 0 16282 WAT 265 TIP3 H1 HT 0.417000 1.0080 0 16283 WAT 265 TIP3 H2 HT 0.417000 1.0080 0 16284 WAT 266 TIP3 OH2 OT -0.834000 15.9994 0 16285 WAT 266 TIP3 H1 HT 0.417000 1.0080 0 16286 WAT 266 TIP3 H2 HT 0.417000 1.0080 0 16287 WAT 267 TIP3 OH2 OT -0.834000 15.9994 0 16288 WAT 267 TIP3 H1 HT 0.417000 1.0080 0 16289 WAT 267 TIP3 H2 HT 0.417000 1.0080 0 16290 WAT 268 TIP3 OH2 OT -0.834000 15.9994 0 16291 WAT 268 TIP3 H1 HT 0.417000 1.0080 0 16292 WAT 268 TIP3 H2 HT 0.417000 1.0080 0 16293 WAT 269 TIP3 OH2 OT -0.834000 15.9994 0 16294 WAT 269 TIP3 H1 HT 0.417000 1.0080 0 16295 WAT 269 TIP3 H2 HT 0.417000 1.0080 0 16296 WAT 270 TIP3 OH2 OT -0.834000 15.9994 0 16297 WAT 270 TIP3 H1 HT 0.417000 1.0080 0 16298 WAT 270 TIP3 H2 HT 0.417000 1.0080 0 16299 WAT 271 TIP3 OH2 OT -0.834000 15.9994 0 16300 WAT 271 TIP3 H1 HT 0.417000 1.0080 0 16301 WAT 271 TIP3 H2 HT 0.417000 1.0080 0 16302 WAT 272 TIP3 OH2 OT -0.834000 15.9994 0 16303 WAT 272 TIP3 H1 HT 0.417000 1.0080 0 16304 WAT 272 TIP3 H2 HT 0.417000 1.0080 0 16305 WAT 273 TIP3 OH2 OT -0.834000 15.9994 0 16306 WAT 273 TIP3 H1 HT 0.417000 1.0080 0 16307 WAT 273 TIP3 H2 HT 0.417000 1.0080 0 16308 WAT 274 TIP3 OH2 OT -0.834000 15.9994 0 16309 WAT 274 TIP3 H1 HT 0.417000 1.0080 0 16310 WAT 274 TIP3 H2 HT 0.417000 1.0080 0 16311 WAT 275 TIP3 OH2 OT -0.834000 15.9994 0 16312 WAT 275 TIP3 H1 HT 0.417000 1.0080 0 16313 WAT 275 TIP3 H2 HT 0.417000 1.0080 0 16314 WAT 276 TIP3 OH2 OT -0.834000 15.9994 0 16315 WAT 276 TIP3 H1 HT 0.417000 1.0080 0 16316 WAT 276 TIP3 H2 HT 0.417000 1.0080 0 16317 WAT 277 TIP3 OH2 OT -0.834000 15.9994 0 16318 WAT 277 TIP3 H1 HT 0.417000 1.0080 0 16319 WAT 277 TIP3 H2 HT 0.417000 1.0080 0 16320 WAT 278 TIP3 OH2 OT -0.834000 15.9994 0 16321 WAT 278 TIP3 H1 HT 0.417000 1.0080 0 16322 WAT 278 TIP3 H2 HT 0.417000 1.0080 0 16323 WAT 279 TIP3 OH2 OT -0.834000 15.9994 0 16324 WAT 279 TIP3 H1 HT 0.417000 1.0080 0 16325 WAT 279 TIP3 H2 HT 0.417000 1.0080 0 16326 WAT 280 TIP3 OH2 OT -0.834000 15.9994 0 16327 WAT 280 TIP3 H1 HT 0.417000 1.0080 0 16328 WAT 280 TIP3 H2 HT 0.417000 1.0080 0 16329 WAT 281 TIP3 OH2 OT -0.834000 15.9994 0 16330 WAT 281 TIP3 H1 HT 0.417000 1.0080 0 16331 WAT 281 TIP3 H2 HT 0.417000 1.0080 0 16332 WAT 282 TIP3 OH2 OT -0.834000 15.9994 0 16333 WAT 282 TIP3 H1 HT 0.417000 1.0080 0 16334 WAT 282 TIP3 H2 HT 0.417000 1.0080 0 16335 WAT 283 TIP3 OH2 OT -0.834000 15.9994 0 16336 WAT 283 TIP3 H1 HT 0.417000 1.0080 0 16337 WAT 283 TIP3 H2 HT 0.417000 1.0080 0 16338 WAT 284 TIP3 OH2 OT -0.834000 15.9994 0 16339 WAT 284 TIP3 H1 HT 0.417000 1.0080 0 16340 WAT 284 TIP3 H2 HT 0.417000 1.0080 0 16341 WAT 285 TIP3 OH2 OT -0.834000 15.9994 0 16342 WAT 285 TIP3 H1 HT 0.417000 1.0080 0 16343 WAT 285 TIP3 H2 HT 0.417000 1.0080 0 16344 WAT 286 TIP3 OH2 OT -0.834000 15.9994 0 16345 WAT 286 TIP3 H1 HT 0.417000 1.0080 0 16346 WAT 286 TIP3 H2 HT 0.417000 1.0080 0 16347 WAT 287 TIP3 OH2 OT -0.834000 15.9994 0 16348 WAT 287 TIP3 H1 HT 0.417000 1.0080 0 16349 WAT 287 TIP3 H2 HT 0.417000 1.0080 0 16350 WAT 288 TIP3 OH2 OT -0.834000 15.9994 0 16351 WAT 288 TIP3 H1 HT 0.417000 1.0080 0 16352 WAT 288 TIP3 H2 HT 0.417000 1.0080 0 16353 WAT 289 TIP3 OH2 OT -0.834000 15.9994 0 16354 WAT 289 TIP3 H1 HT 0.417000 1.0080 0 16355 WAT 289 TIP3 H2 HT 0.417000 1.0080 0 16356 WAT 290 TIP3 OH2 OT -0.834000 15.9994 0 16357 WAT 290 TIP3 H1 HT 0.417000 1.0080 0 16358 WAT 290 TIP3 H2 HT 0.417000 1.0080 0 16359 WAT 291 TIP3 OH2 OT -0.834000 15.9994 0 16360 WAT 291 TIP3 H1 HT 0.417000 1.0080 0 16361 WAT 291 TIP3 H2 HT 0.417000 1.0080 0 16362 WAT 292 TIP3 OH2 OT -0.834000 15.9994 0 16363 WAT 292 TIP3 H1 HT 0.417000 1.0080 0 16364 WAT 292 TIP3 H2 HT 0.417000 1.0080 0 16365 WAT 293 TIP3 OH2 OT -0.834000 15.9994 0 16366 WAT 293 TIP3 H1 HT 0.417000 1.0080 0 16367 WAT 293 TIP3 H2 HT 0.417000 1.0080 0 16368 WAT 294 TIP3 OH2 OT -0.834000 15.9994 0 16369 WAT 294 TIP3 H1 HT 0.417000 1.0080 0 16370 WAT 294 TIP3 H2 HT 0.417000 1.0080 0 16371 WAT 295 TIP3 OH2 OT -0.834000 15.9994 0 16372 WAT 295 TIP3 H1 HT 0.417000 1.0080 0 16373 WAT 295 TIP3 H2 HT 0.417000 1.0080 0 16374 WAT 296 TIP3 OH2 OT -0.834000 15.9994 0 16375 WAT 296 TIP3 H1 HT 0.417000 1.0080 0 16376 WAT 296 TIP3 H2 HT 0.417000 1.0080 0 16377 WAT 297 TIP3 OH2 OT -0.834000 15.9994 0 16378 WAT 297 TIP3 H1 HT 0.417000 1.0080 0 16379 WAT 297 TIP3 H2 HT 0.417000 1.0080 0 16380 WAT 298 TIP3 OH2 OT -0.834000 15.9994 0 16381 WAT 298 TIP3 H1 HT 0.417000 1.0080 0 16382 WAT 298 TIP3 H2 HT 0.417000 1.0080 0 16383 WAT 299 TIP3 OH2 OT -0.834000 15.9994 0 16384 WAT 299 TIP3 H1 HT 0.417000 1.0080 0 16385 WAT 299 TIP3 H2 HT 0.417000 1.0080 0 16386 WAT 300 TIP3 OH2 OT -0.834000 15.9994 0 16387 WAT 300 TIP3 H1 HT 0.417000 1.0080 0 16388 WAT 300 TIP3 H2 HT 0.417000 1.0080 0 16389 WAT 301 TIP3 OH2 OT -0.834000 15.9994 0 16390 WAT 301 TIP3 H1 HT 0.417000 1.0080 0 16391 WAT 301 TIP3 H2 HT 0.417000 1.0080 0 16392 WAT 302 TIP3 OH2 OT -0.834000 15.9994 0 16393 WAT 302 TIP3 H1 HT 0.417000 1.0080 0 16394 WAT 302 TIP3 H2 HT 0.417000 1.0080 0 16395 WAT 303 TIP3 OH2 OT -0.834000 15.9994 0 16396 WAT 303 TIP3 H1 HT 0.417000 1.0080 0 16397 WAT 303 TIP3 H2 HT 0.417000 1.0080 0 16398 WAT 304 TIP3 OH2 OT -0.834000 15.9994 0 16399 WAT 304 TIP3 H1 HT 0.417000 1.0080 0 16400 WAT 304 TIP3 H2 HT 0.417000 1.0080 0 16401 WAT 305 TIP3 OH2 OT -0.834000 15.9994 0 16402 WAT 305 TIP3 H1 HT 0.417000 1.0080 0 16403 WAT 305 TIP3 H2 HT 0.417000 1.0080 0 16404 WAT 306 TIP3 OH2 OT -0.834000 15.9994 0 16405 WAT 306 TIP3 H1 HT 0.417000 1.0080 0 16406 WAT 306 TIP3 H2 HT 0.417000 1.0080 0 16407 WAT 307 TIP3 OH2 OT -0.834000 15.9994 0 16408 WAT 307 TIP3 H1 HT 0.417000 1.0080 0 16409 WAT 307 TIP3 H2 HT 0.417000 1.0080 0 16410 WAT 308 TIP3 OH2 OT -0.834000 15.9994 0 16411 WAT 308 TIP3 H1 HT 0.417000 1.0080 0 16412 WAT 308 TIP3 H2 HT 0.417000 1.0080 0 16413 WAT 309 TIP3 OH2 OT -0.834000 15.9994 0 16414 WAT 309 TIP3 H1 HT 0.417000 1.0080 0 16415 WAT 309 TIP3 H2 HT 0.417000 1.0080 0 16416 WAT 310 TIP3 OH2 OT -0.834000 15.9994 0 16417 WAT 310 TIP3 H1 HT 0.417000 1.0080 0 16418 WAT 310 TIP3 H2 HT 0.417000 1.0080 0 16419 WAT 311 TIP3 OH2 OT -0.834000 15.9994 0 16420 WAT 311 TIP3 H1 HT 0.417000 1.0080 0 16421 WAT 311 TIP3 H2 HT 0.417000 1.0080 0 16422 WAT 312 TIP3 OH2 OT -0.834000 15.9994 0 16423 WAT 312 TIP3 H1 HT 0.417000 1.0080 0 16424 WAT 312 TIP3 H2 HT 0.417000 1.0080 0 16425 WAT 313 TIP3 OH2 OT -0.834000 15.9994 0 16426 WAT 313 TIP3 H1 HT 0.417000 1.0080 0 16427 WAT 313 TIP3 H2 HT 0.417000 1.0080 0 16428 WAT 314 TIP3 OH2 OT -0.834000 15.9994 0 16429 WAT 314 TIP3 H1 HT 0.417000 1.0080 0 16430 WAT 314 TIP3 H2 HT 0.417000 1.0080 0 16431 WAT 315 TIP3 OH2 OT -0.834000 15.9994 0 16432 WAT 315 TIP3 H1 HT 0.417000 1.0080 0 16433 WAT 315 TIP3 H2 HT 0.417000 1.0080 0 16434 WAT 316 TIP3 OH2 OT -0.834000 15.9994 0 16435 WAT 316 TIP3 H1 HT 0.417000 1.0080 0 16436 WAT 316 TIP3 H2 HT 0.417000 1.0080 0 16437 WAT 317 TIP3 OH2 OT -0.834000 15.9994 0 16438 WAT 317 TIP3 H1 HT 0.417000 1.0080 0 16439 WAT 317 TIP3 H2 HT 0.417000 1.0080 0 16440 WAT 318 TIP3 OH2 OT -0.834000 15.9994 0 16441 WAT 318 TIP3 H1 HT 0.417000 1.0080 0 16442 WAT 318 TIP3 H2 HT 0.417000 1.0080 0 16443 WAT 319 TIP3 OH2 OT -0.834000 15.9994 0 16444 WAT 319 TIP3 H1 HT 0.417000 1.0080 0 16445 WAT 319 TIP3 H2 HT 0.417000 1.0080 0 16446 WAT 320 TIP3 OH2 OT -0.834000 15.9994 0 16447 WAT 320 TIP3 H1 HT 0.417000 1.0080 0 16448 WAT 320 TIP3 H2 HT 0.417000 1.0080 0 16449 WAT 321 TIP3 OH2 OT -0.834000 15.9994 0 16450 WAT 321 TIP3 H1 HT 0.417000 1.0080 0 16451 WAT 321 TIP3 H2 HT 0.417000 1.0080 0 16452 WAT 322 TIP3 OH2 OT -0.834000 15.9994 0 16453 WAT 322 TIP3 H1 HT 0.417000 1.0080 0 16454 WAT 322 TIP3 H2 HT 0.417000 1.0080 0 16455 WAT 323 TIP3 OH2 OT -0.834000 15.9994 0 16456 WAT 323 TIP3 H1 HT 0.417000 1.0080 0 16457 WAT 323 TIP3 H2 HT 0.417000 1.0080 0 16458 WAT 324 TIP3 OH2 OT -0.834000 15.9994 0 16459 WAT 324 TIP3 H1 HT 0.417000 1.0080 0 16460 WAT 324 TIP3 H2 HT 0.417000 1.0080 0 16461 WAT 325 TIP3 OH2 OT -0.834000 15.9994 0 16462 WAT 325 TIP3 H1 HT 0.417000 1.0080 0 16463 WAT 325 TIP3 H2 HT 0.417000 1.0080 0 16464 WAT 326 TIP3 OH2 OT -0.834000 15.9994 0 16465 WAT 326 TIP3 H1 HT 0.417000 1.0080 0 16466 WAT 326 TIP3 H2 HT 0.417000 1.0080 0 16467 WAT 327 TIP3 OH2 OT -0.834000 15.9994 0 16468 WAT 327 TIP3 H1 HT 0.417000 1.0080 0 16469 WAT 327 TIP3 H2 HT 0.417000 1.0080 0 16470 WAT 328 TIP3 OH2 OT -0.834000 15.9994 0 16471 WAT 328 TIP3 H1 HT 0.417000 1.0080 0 16472 WAT 328 TIP3 H2 HT 0.417000 1.0080 0 16473 WAT 329 TIP3 OH2 OT -0.834000 15.9994 0 16474 WAT 329 TIP3 H1 HT 0.417000 1.0080 0 16475 WAT 329 TIP3 H2 HT 0.417000 1.0080 0 16476 WAT 330 TIP3 OH2 OT -0.834000 15.9994 0 16477 WAT 330 TIP3 H1 HT 0.417000 1.0080 0 16478 WAT 330 TIP3 H2 HT 0.417000 1.0080 0 16479 WAT 331 TIP3 OH2 OT -0.834000 15.9994 0 16480 WAT 331 TIP3 H1 HT 0.417000 1.0080 0 16481 WAT 331 TIP3 H2 HT 0.417000 1.0080 0 16482 WAT 332 TIP3 OH2 OT -0.834000 15.9994 0 16483 WAT 332 TIP3 H1 HT 0.417000 1.0080 0 16484 WAT 332 TIP3 H2 HT 0.417000 1.0080 0 16485 WAT 333 TIP3 OH2 OT -0.834000 15.9994 0 16486 WAT 333 TIP3 H1 HT 0.417000 1.0080 0 16487 WAT 333 TIP3 H2 HT 0.417000 1.0080 0 16488 WAT 334 TIP3 OH2 OT -0.834000 15.9994 0 16489 WAT 334 TIP3 H1 HT 0.417000 1.0080 0 16490 WAT 334 TIP3 H2 HT 0.417000 1.0080 0 16491 WAT 335 TIP3 OH2 OT -0.834000 15.9994 0 16492 WAT 335 TIP3 H1 HT 0.417000 1.0080 0 16493 WAT 335 TIP3 H2 HT 0.417000 1.0080 0 16494 WAT 336 TIP3 OH2 OT -0.834000 15.9994 0 16495 WAT 336 TIP3 H1 HT 0.417000 1.0080 0 16496 WAT 336 TIP3 H2 HT 0.417000 1.0080 0 16497 WAT 337 TIP3 OH2 OT -0.834000 15.9994 0 16498 WAT 337 TIP3 H1 HT 0.417000 1.0080 0 16499 WAT 337 TIP3 H2 HT 0.417000 1.0080 0 16500 WAT 338 TIP3 OH2 OT -0.834000 15.9994 0 16501 WAT 338 TIP3 H1 HT 0.417000 1.0080 0 16502 WAT 338 TIP3 H2 HT 0.417000 1.0080 0 16503 WAT 339 TIP3 OH2 OT -0.834000 15.9994 0 16504 WAT 339 TIP3 H1 HT 0.417000 1.0080 0 16505 WAT 339 TIP3 H2 HT 0.417000 1.0080 0 16506 WAT 340 TIP3 OH2 OT -0.834000 15.9994 0 16507 WAT 340 TIP3 H1 HT 0.417000 1.0080 0 16508 WAT 340 TIP3 H2 HT 0.417000 1.0080 0 16509 WAT 341 TIP3 OH2 OT -0.834000 15.9994 0 16510 WAT 341 TIP3 H1 HT 0.417000 1.0080 0 16511 WAT 341 TIP3 H2 HT 0.417000 1.0080 0 16512 WAT 342 TIP3 OH2 OT -0.834000 15.9994 0 16513 WAT 342 TIP3 H1 HT 0.417000 1.0080 0 16514 WAT 342 TIP3 H2 HT 0.417000 1.0080 0 16515 WAT 343 TIP3 OH2 OT -0.834000 15.9994 0 16516 WAT 343 TIP3 H1 HT 0.417000 1.0080 0 16517 WAT 343 TIP3 H2 HT 0.417000 1.0080 0 16518 WAT 344 TIP3 OH2 OT -0.834000 15.9994 0 16519 WAT 344 TIP3 H1 HT 0.417000 1.0080 0 16520 WAT 344 TIP3 H2 HT 0.417000 1.0080 0 16521 WAT 345 TIP3 OH2 OT -0.834000 15.9994 0 16522 WAT 345 TIP3 H1 HT 0.417000 1.0080 0 16523 WAT 345 TIP3 H2 HT 0.417000 1.0080 0 16524 WAT 346 TIP3 OH2 OT -0.834000 15.9994 0 16525 WAT 346 TIP3 H1 HT 0.417000 1.0080 0 16526 WAT 346 TIP3 H2 HT 0.417000 1.0080 0 16527 WAT 347 TIP3 OH2 OT -0.834000 15.9994 0 16528 WAT 347 TIP3 H1 HT 0.417000 1.0080 0 16529 WAT 347 TIP3 H2 HT 0.417000 1.0080 0 16530 WAT 348 TIP3 OH2 OT -0.834000 15.9994 0 16531 WAT 348 TIP3 H1 HT 0.417000 1.0080 0 16532 WAT 348 TIP3 H2 HT 0.417000 1.0080 0 16533 WAT 349 TIP3 OH2 OT -0.834000 15.9994 0 16534 WAT 349 TIP3 H1 HT 0.417000 1.0080 0 16535 WAT 349 TIP3 H2 HT 0.417000 1.0080 0 16536 WAT 350 TIP3 OH2 OT -0.834000 15.9994 0 16537 WAT 350 TIP3 H1 HT 0.417000 1.0080 0 16538 WAT 350 TIP3 H2 HT 0.417000 1.0080 0 16539 WAT 351 TIP3 OH2 OT -0.834000 15.9994 0 16540 WAT 351 TIP3 H1 HT 0.417000 1.0080 0 16541 WAT 351 TIP3 H2 HT 0.417000 1.0080 0 16542 WAT 352 TIP3 OH2 OT -0.834000 15.9994 0 16543 WAT 352 TIP3 H1 HT 0.417000 1.0080 0 16544 WAT 352 TIP3 H2 HT 0.417000 1.0080 0 16545 WAT 353 TIP3 OH2 OT -0.834000 15.9994 0 16546 WAT 353 TIP3 H1 HT 0.417000 1.0080 0 16547 WAT 353 TIP3 H2 HT 0.417000 1.0080 0 16548 WAT 354 TIP3 OH2 OT -0.834000 15.9994 0 16549 WAT 354 TIP3 H1 HT 0.417000 1.0080 0 16550 WAT 354 TIP3 H2 HT 0.417000 1.0080 0 16551 WAT 355 TIP3 OH2 OT -0.834000 15.9994 0 16552 WAT 355 TIP3 H1 HT 0.417000 1.0080 0 16553 WAT 355 TIP3 H2 HT 0.417000 1.0080 0 16554 WAT 356 TIP3 OH2 OT -0.834000 15.9994 0 16555 WAT 356 TIP3 H1 HT 0.417000 1.0080 0 16556 WAT 356 TIP3 H2 HT 0.417000 1.0080 0 16557 WAT 357 TIP3 OH2 OT -0.834000 15.9994 0 16558 WAT 357 TIP3 H1 HT 0.417000 1.0080 0 16559 WAT 357 TIP3 H2 HT 0.417000 1.0080 0 16560 WAT 358 TIP3 OH2 OT -0.834000 15.9994 0 16561 WAT 358 TIP3 H1 HT 0.417000 1.0080 0 16562 WAT 358 TIP3 H2 HT 0.417000 1.0080 0 16563 WAT 359 TIP3 OH2 OT -0.834000 15.9994 0 16564 WAT 359 TIP3 H1 HT 0.417000 1.0080 0 16565 WAT 359 TIP3 H2 HT 0.417000 1.0080 0 16566 WAT 360 TIP3 OH2 OT -0.834000 15.9994 0 16567 WAT 360 TIP3 H1 HT 0.417000 1.0080 0 16568 WAT 360 TIP3 H2 HT 0.417000 1.0080 0 16569 WAT 361 TIP3 OH2 OT -0.834000 15.9994 0 16570 WAT 361 TIP3 H1 HT 0.417000 1.0080 0 16571 WAT 361 TIP3 H2 HT 0.417000 1.0080 0 16572 WAT 362 TIP3 OH2 OT -0.834000 15.9994 0 16573 WAT 362 TIP3 H1 HT 0.417000 1.0080 0 16574 WAT 362 TIP3 H2 HT 0.417000 1.0080 0 16575 WAT 363 TIP3 OH2 OT -0.834000 15.9994 0 16576 WAT 363 TIP3 H1 HT 0.417000 1.0080 0 16577 WAT 363 TIP3 H2 HT 0.417000 1.0080 0 16578 WAT 364 TIP3 OH2 OT -0.834000 15.9994 0 16579 WAT 364 TIP3 H1 HT 0.417000 1.0080 0 16580 WAT 364 TIP3 H2 HT 0.417000 1.0080 0 16581 WAT 365 TIP3 OH2 OT -0.834000 15.9994 0 16582 WAT 365 TIP3 H1 HT 0.417000 1.0080 0 16583 WAT 365 TIP3 H2 HT 0.417000 1.0080 0 16584 WAT 366 TIP3 OH2 OT -0.834000 15.9994 0 16585 WAT 366 TIP3 H1 HT 0.417000 1.0080 0 16586 WAT 366 TIP3 H2 HT 0.417000 1.0080 0 16587 WAT 367 TIP3 OH2 OT -0.834000 15.9994 0 16588 WAT 367 TIP3 H1 HT 0.417000 1.0080 0 16589 WAT 367 TIP3 H2 HT 0.417000 1.0080 0 16590 WAT 368 TIP3 OH2 OT -0.834000 15.9994 0 16591 WAT 368 TIP3 H1 HT 0.417000 1.0080 0 16592 WAT 368 TIP3 H2 HT 0.417000 1.0080 0 16593 WAT 369 TIP3 OH2 OT -0.834000 15.9994 0 16594 WAT 369 TIP3 H1 HT 0.417000 1.0080 0 16595 WAT 369 TIP3 H2 HT 0.417000 1.0080 0 16596 WAT 370 TIP3 OH2 OT -0.834000 15.9994 0 16597 WAT 370 TIP3 H1 HT 0.417000 1.0080 0 16598 WAT 370 TIP3 H2 HT 0.417000 1.0080 0 16599 WAT 371 TIP3 OH2 OT -0.834000 15.9994 0 16600 WAT 371 TIP3 H1 HT 0.417000 1.0080 0 16601 WAT 371 TIP3 H2 HT 0.417000 1.0080 0 16602 WAT 372 TIP3 OH2 OT -0.834000 15.9994 0 16603 WAT 372 TIP3 H1 HT 0.417000 1.0080 0 16604 WAT 372 TIP3 H2 HT 0.417000 1.0080 0 16605 WAT 373 TIP3 OH2 OT -0.834000 15.9994 0 16606 WAT 373 TIP3 H1 HT 0.417000 1.0080 0 16607 WAT 373 TIP3 H2 HT 0.417000 1.0080 0 16608 WAT 374 TIP3 OH2 OT -0.834000 15.9994 0 16609 WAT 374 TIP3 H1 HT 0.417000 1.0080 0 16610 WAT 374 TIP3 H2 HT 0.417000 1.0080 0 16611 WAT 375 TIP3 OH2 OT -0.834000 15.9994 0 16612 WAT 375 TIP3 H1 HT 0.417000 1.0080 0 16613 WAT 375 TIP3 H2 HT 0.417000 1.0080 0 16614 WAT 376 TIP3 OH2 OT -0.834000 15.9994 0 16615 WAT 376 TIP3 H1 HT 0.417000 1.0080 0 16616 WAT 376 TIP3 H2 HT 0.417000 1.0080 0 16617 WAT 377 TIP3 OH2 OT -0.834000 15.9994 0 16618 WAT 377 TIP3 H1 HT 0.417000 1.0080 0 16619 WAT 377 TIP3 H2 HT 0.417000 1.0080 0 16620 WAT 378 TIP3 OH2 OT -0.834000 15.9994 0 16621 WAT 378 TIP3 H1 HT 0.417000 1.0080 0 16622 WAT 378 TIP3 H2 HT 0.417000 1.0080 0 16623 WAT 379 TIP3 OH2 OT -0.834000 15.9994 0 16624 WAT 379 TIP3 H1 HT 0.417000 1.0080 0 16625 WAT 379 TIP3 H2 HT 0.417000 1.0080 0 16626 WAT 380 TIP3 OH2 OT -0.834000 15.9994 0 16627 WAT 380 TIP3 H1 HT 0.417000 1.0080 0 16628 WAT 380 TIP3 H2 HT 0.417000 1.0080 0 16629 WAT 381 TIP3 OH2 OT -0.834000 15.9994 0 16630 WAT 381 TIP3 H1 HT 0.417000 1.0080 0 16631 WAT 381 TIP3 H2 HT 0.417000 1.0080 0 16632 WAT 382 TIP3 OH2 OT -0.834000 15.9994 0 16633 WAT 382 TIP3 H1 HT 0.417000 1.0080 0 16634 WAT 382 TIP3 H2 HT 0.417000 1.0080 0 16635 WAT 383 TIP3 OH2 OT -0.834000 15.9994 0 16636 WAT 383 TIP3 H1 HT 0.417000 1.0080 0 16637 WAT 383 TIP3 H2 HT 0.417000 1.0080 0 16638 WAT 384 TIP3 OH2 OT -0.834000 15.9994 0 16639 WAT 384 TIP3 H1 HT 0.417000 1.0080 0 16640 WAT 384 TIP3 H2 HT 0.417000 1.0080 0 16641 WAT 385 TIP3 OH2 OT -0.834000 15.9994 0 16642 WAT 385 TIP3 H1 HT 0.417000 1.0080 0 16643 WAT 385 TIP3 H2 HT 0.417000 1.0080 0 16644 WAT 386 TIP3 OH2 OT -0.834000 15.9994 0 16645 WAT 386 TIP3 H1 HT 0.417000 1.0080 0 16646 WAT 386 TIP3 H2 HT 0.417000 1.0080 0 16647 WAT 387 TIP3 OH2 OT -0.834000 15.9994 0 16648 WAT 387 TIP3 H1 HT 0.417000 1.0080 0 16649 WAT 387 TIP3 H2 HT 0.417000 1.0080 0 16650 WAT 388 TIP3 OH2 OT -0.834000 15.9994 0 16651 WAT 388 TIP3 H1 HT 0.417000 1.0080 0 16652 WAT 388 TIP3 H2 HT 0.417000 1.0080 0 16653 WAT 389 TIP3 OH2 OT -0.834000 15.9994 0 16654 WAT 389 TIP3 H1 HT 0.417000 1.0080 0 16655 WAT 389 TIP3 H2 HT 0.417000 1.0080 0 16656 WAT 390 TIP3 OH2 OT -0.834000 15.9994 0 16657 WAT 390 TIP3 H1 HT 0.417000 1.0080 0 16658 WAT 390 TIP3 H2 HT 0.417000 1.0080 0 16659 WAT 391 TIP3 OH2 OT -0.834000 15.9994 0 16660 WAT 391 TIP3 H1 HT 0.417000 1.0080 0 16661 WAT 391 TIP3 H2 HT 0.417000 1.0080 0 16662 WAT 392 TIP3 OH2 OT -0.834000 15.9994 0 16663 WAT 392 TIP3 H1 HT 0.417000 1.0080 0 16664 WAT 392 TIP3 H2 HT 0.417000 1.0080 0 16665 WAT 393 TIP3 OH2 OT -0.834000 15.9994 0 16666 WAT 393 TIP3 H1 HT 0.417000 1.0080 0 16667 WAT 393 TIP3 H2 HT 0.417000 1.0080 0 16668 WAT 394 TIP3 OH2 OT -0.834000 15.9994 0 16669 WAT 394 TIP3 H1 HT 0.417000 1.0080 0 16670 WAT 394 TIP3 H2 HT 0.417000 1.0080 0 16671 WAT 395 TIP3 OH2 OT -0.834000 15.9994 0 16672 WAT 395 TIP3 H1 HT 0.417000 1.0080 0 16673 WAT 395 TIP3 H2 HT 0.417000 1.0080 0 16674 WAT 396 TIP3 OH2 OT -0.834000 15.9994 0 16675 WAT 396 TIP3 H1 HT 0.417000 1.0080 0 16676 WAT 396 TIP3 H2 HT 0.417000 1.0080 0 16677 WAT 397 TIP3 OH2 OT -0.834000 15.9994 0 16678 WAT 397 TIP3 H1 HT 0.417000 1.0080 0 16679 WAT 397 TIP3 H2 HT 0.417000 1.0080 0 16680 WAT 398 TIP3 OH2 OT -0.834000 15.9994 0 16681 WAT 398 TIP3 H1 HT 0.417000 1.0080 0 16682 WAT 398 TIP3 H2 HT 0.417000 1.0080 0 16683 WAT 399 TIP3 OH2 OT -0.834000 15.9994 0 16684 WAT 399 TIP3 H1 HT 0.417000 1.0080 0 16685 WAT 399 TIP3 H2 HT 0.417000 1.0080 0 16686 WAT 400 TIP3 OH2 OT -0.834000 15.9994 0 16687 WAT 400 TIP3 H1 HT 0.417000 1.0080 0 16688 WAT 400 TIP3 H2 HT 0.417000 1.0080 0 16689 WAT 401 TIP3 OH2 OT -0.834000 15.9994 0 16690 WAT 401 TIP3 H1 HT 0.417000 1.0080 0 16691 WAT 401 TIP3 H2 HT 0.417000 1.0080 0 16692 WAT 402 TIP3 OH2 OT -0.834000 15.9994 0 16693 WAT 402 TIP3 H1 HT 0.417000 1.0080 0 16694 WAT 402 TIP3 H2 HT 0.417000 1.0080 0 16695 WAT 403 TIP3 OH2 OT -0.834000 15.9994 0 16696 WAT 403 TIP3 H1 HT 0.417000 1.0080 0 16697 WAT 403 TIP3 H2 HT 0.417000 1.0080 0 16698 WAT 404 TIP3 OH2 OT -0.834000 15.9994 0 16699 WAT 404 TIP3 H1 HT 0.417000 1.0080 0 16700 WAT 404 TIP3 H2 HT 0.417000 1.0080 0 16701 WAT 405 TIP3 OH2 OT -0.834000 15.9994 0 16702 WAT 405 TIP3 H1 HT 0.417000 1.0080 0 16703 WAT 405 TIP3 H2 HT 0.417000 1.0080 0 16704 WAT 406 TIP3 OH2 OT -0.834000 15.9994 0 16705 WAT 406 TIP3 H1 HT 0.417000 1.0080 0 16706 WAT 406 TIP3 H2 HT 0.417000 1.0080 0 16707 WAT 407 TIP3 OH2 OT -0.834000 15.9994 0 16708 WAT 407 TIP3 H1 HT 0.417000 1.0080 0 16709 WAT 407 TIP3 H2 HT 0.417000 1.0080 0 16710 WAT 408 TIP3 OH2 OT -0.834000 15.9994 0 16711 WAT 408 TIP3 H1 HT 0.417000 1.0080 0 16712 WAT 408 TIP3 H2 HT 0.417000 1.0080 0 16713 WAT 409 TIP3 OH2 OT -0.834000 15.9994 0 16714 WAT 409 TIP3 H1 HT 0.417000 1.0080 0 16715 WAT 409 TIP3 H2 HT 0.417000 1.0080 0 16716 WAT 410 TIP3 OH2 OT -0.834000 15.9994 0 16717 WAT 410 TIP3 H1 HT 0.417000 1.0080 0 16718 WAT 410 TIP3 H2 HT 0.417000 1.0080 0 16719 WAT 411 TIP3 OH2 OT -0.834000 15.9994 0 16720 WAT 411 TIP3 H1 HT 0.417000 1.0080 0 16721 WAT 411 TIP3 H2 HT 0.417000 1.0080 0 16722 WAT 412 TIP3 OH2 OT -0.834000 15.9994 0 16723 WAT 412 TIP3 H1 HT 0.417000 1.0080 0 16724 WAT 412 TIP3 H2 HT 0.417000 1.0080 0 16725 WAT 413 TIP3 OH2 OT -0.834000 15.9994 0 16726 WAT 413 TIP3 H1 HT 0.417000 1.0080 0 16727 WAT 413 TIP3 H2 HT 0.417000 1.0080 0 16728 WAT 414 TIP3 OH2 OT -0.834000 15.9994 0 16729 WAT 414 TIP3 H1 HT 0.417000 1.0080 0 16730 WAT 414 TIP3 H2 HT 0.417000 1.0080 0 16731 WAT 415 TIP3 OH2 OT -0.834000 15.9994 0 16732 WAT 415 TIP3 H1 HT 0.417000 1.0080 0 16733 WAT 415 TIP3 H2 HT 0.417000 1.0080 0 16734 WAT 416 TIP3 OH2 OT -0.834000 15.9994 0 16735 WAT 416 TIP3 H1 HT 0.417000 1.0080 0 16736 WAT 416 TIP3 H2 HT 0.417000 1.0080 0 16737 WAT 417 TIP3 OH2 OT -0.834000 15.9994 0 16738 WAT 417 TIP3 H1 HT 0.417000 1.0080 0 16739 WAT 417 TIP3 H2 HT 0.417000 1.0080 0 16740 WAT 418 TIP3 OH2 OT -0.834000 15.9994 0 16741 WAT 418 TIP3 H1 HT 0.417000 1.0080 0 16742 WAT 418 TIP3 H2 HT 0.417000 1.0080 0 16743 WAT 419 TIP3 OH2 OT -0.834000 15.9994 0 16744 WAT 419 TIP3 H1 HT 0.417000 1.0080 0 16745 WAT 419 TIP3 H2 HT 0.417000 1.0080 0 16746 WAT 420 TIP3 OH2 OT -0.834000 15.9994 0 16747 WAT 420 TIP3 H1 HT 0.417000 1.0080 0 16748 WAT 420 TIP3 H2 HT 0.417000 1.0080 0 16749 WAT 421 TIP3 OH2 OT -0.834000 15.9994 0 16750 WAT 421 TIP3 H1 HT 0.417000 1.0080 0 16751 WAT 421 TIP3 H2 HT 0.417000 1.0080 0 16752 WAT 422 TIP3 OH2 OT -0.834000 15.9994 0 16753 WAT 422 TIP3 H1 HT 0.417000 1.0080 0 16754 WAT 422 TIP3 H2 HT 0.417000 1.0080 0 16755 WAT 423 TIP3 OH2 OT -0.834000 15.9994 0 16756 WAT 423 TIP3 H1 HT 0.417000 1.0080 0 16757 WAT 423 TIP3 H2 HT 0.417000 1.0080 0 16758 WAT 424 TIP3 OH2 OT -0.834000 15.9994 0 16759 WAT 424 TIP3 H1 HT 0.417000 1.0080 0 16760 WAT 424 TIP3 H2 HT 0.417000 1.0080 0 16761 WAT 425 TIP3 OH2 OT -0.834000 15.9994 0 16762 WAT 425 TIP3 H1 HT 0.417000 1.0080 0 16763 WAT 425 TIP3 H2 HT 0.417000 1.0080 0 16764 WAT 426 TIP3 OH2 OT -0.834000 15.9994 0 16765 WAT 426 TIP3 H1 HT 0.417000 1.0080 0 16766 WAT 426 TIP3 H2 HT 0.417000 1.0080 0 16767 WAT 427 TIP3 OH2 OT -0.834000 15.9994 0 16768 WAT 427 TIP3 H1 HT 0.417000 1.0080 0 16769 WAT 427 TIP3 H2 HT 0.417000 1.0080 0 16770 WAT 428 TIP3 OH2 OT -0.834000 15.9994 0 16771 WAT 428 TIP3 H1 HT 0.417000 1.0080 0 16772 WAT 428 TIP3 H2 HT 0.417000 1.0080 0 16773 WAT 429 TIP3 OH2 OT -0.834000 15.9994 0 16774 WAT 429 TIP3 H1 HT 0.417000 1.0080 0 16775 WAT 429 TIP3 H2 HT 0.417000 1.0080 0 16776 WAT 430 TIP3 OH2 OT -0.834000 15.9994 0 16777 WAT 430 TIP3 H1 HT 0.417000 1.0080 0 16778 WAT 430 TIP3 H2 HT 0.417000 1.0080 0 16779 WAT 431 TIP3 OH2 OT -0.834000 15.9994 0 16780 WAT 431 TIP3 H1 HT 0.417000 1.0080 0 16781 WAT 431 TIP3 H2 HT 0.417000 1.0080 0 16782 WAT 432 TIP3 OH2 OT -0.834000 15.9994 0 16783 WAT 432 TIP3 H1 HT 0.417000 1.0080 0 16784 WAT 432 TIP3 H2 HT 0.417000 1.0080 0 16785 WAT 433 TIP3 OH2 OT -0.834000 15.9994 0 16786 WAT 433 TIP3 H1 HT 0.417000 1.0080 0 16787 WAT 433 TIP3 H2 HT 0.417000 1.0080 0 16788 WAT 434 TIP3 OH2 OT -0.834000 15.9994 0 16789 WAT 434 TIP3 H1 HT 0.417000 1.0080 0 16790 WAT 434 TIP3 H2 HT 0.417000 1.0080 0 16791 WAT 435 TIP3 OH2 OT -0.834000 15.9994 0 16792 WAT 435 TIP3 H1 HT 0.417000 1.0080 0 16793 WAT 435 TIP3 H2 HT 0.417000 1.0080 0 16794 WAT 436 TIP3 OH2 OT -0.834000 15.9994 0 16795 WAT 436 TIP3 H1 HT 0.417000 1.0080 0 16796 WAT 436 TIP3 H2 HT 0.417000 1.0080 0 16797 WAT 437 TIP3 OH2 OT -0.834000 15.9994 0 16798 WAT 437 TIP3 H1 HT 0.417000 1.0080 0 16799 WAT 437 TIP3 H2 HT 0.417000 1.0080 0 16800 WAT 438 TIP3 OH2 OT -0.834000 15.9994 0 16801 WAT 438 TIP3 H1 HT 0.417000 1.0080 0 16802 WAT 438 TIP3 H2 HT 0.417000 1.0080 0 16803 WAT 439 TIP3 OH2 OT -0.834000 15.9994 0 16804 WAT 439 TIP3 H1 HT 0.417000 1.0080 0 16805 WAT 439 TIP3 H2 HT 0.417000 1.0080 0 16806 WAT 440 TIP3 OH2 OT -0.834000 15.9994 0 16807 WAT 440 TIP3 H1 HT 0.417000 1.0080 0 16808 WAT 440 TIP3 H2 HT 0.417000 1.0080 0 16809 WAT 441 TIP3 OH2 OT -0.834000 15.9994 0 16810 WAT 441 TIP3 H1 HT 0.417000 1.0080 0 16811 WAT 441 TIP3 H2 HT 0.417000 1.0080 0 16812 WAT 442 TIP3 OH2 OT -0.834000 15.9994 0 16813 WAT 442 TIP3 H1 HT 0.417000 1.0080 0 16814 WAT 442 TIP3 H2 HT 0.417000 1.0080 0 16815 WAT 443 TIP3 OH2 OT -0.834000 15.9994 0 16816 WAT 443 TIP3 H1 HT 0.417000 1.0080 0 16817 WAT 443 TIP3 H2 HT 0.417000 1.0080 0 16818 WAT 444 TIP3 OH2 OT -0.834000 15.9994 0 16819 WAT 444 TIP3 H1 HT 0.417000 1.0080 0 16820 WAT 444 TIP3 H2 HT 0.417000 1.0080 0 16821 WAT 445 TIP3 OH2 OT -0.834000 15.9994 0 16822 WAT 445 TIP3 H1 HT 0.417000 1.0080 0 16823 WAT 445 TIP3 H2 HT 0.417000 1.0080 0 16824 WAT 446 TIP3 OH2 OT -0.834000 15.9994 0 16825 WAT 446 TIP3 H1 HT 0.417000 1.0080 0 16826 WAT 446 TIP3 H2 HT 0.417000 1.0080 0 16827 WAT 447 TIP3 OH2 OT -0.834000 15.9994 0 16828 WAT 447 TIP3 H1 HT 0.417000 1.0080 0 16829 WAT 447 TIP3 H2 HT 0.417000 1.0080 0 16830 WAT 448 TIP3 OH2 OT -0.834000 15.9994 0 16831 WAT 448 TIP3 H1 HT 0.417000 1.0080 0 16832 WAT 448 TIP3 H2 HT 0.417000 1.0080 0 16833 WAT 449 TIP3 OH2 OT -0.834000 15.9994 0 16834 WAT 449 TIP3 H1 HT 0.417000 1.0080 0 16835 WAT 449 TIP3 H2 HT 0.417000 1.0080 0 16836 WAT 450 TIP3 OH2 OT -0.834000 15.9994 0 16837 WAT 450 TIP3 H1 HT 0.417000 1.0080 0 16838 WAT 450 TIP3 H2 HT 0.417000 1.0080 0 16839 WAT 451 TIP3 OH2 OT -0.834000 15.9994 0 16840 WAT 451 TIP3 H1 HT 0.417000 1.0080 0 16841 WAT 451 TIP3 H2 HT 0.417000 1.0080 0 16842 WAT 452 TIP3 OH2 OT -0.834000 15.9994 0 16843 WAT 452 TIP3 H1 HT 0.417000 1.0080 0 16844 WAT 452 TIP3 H2 HT 0.417000 1.0080 0 16845 WAT 453 TIP3 OH2 OT -0.834000 15.9994 0 16846 WAT 453 TIP3 H1 HT 0.417000 1.0080 0 16847 WAT 453 TIP3 H2 HT 0.417000 1.0080 0 16848 WAT 454 TIP3 OH2 OT -0.834000 15.9994 0 16849 WAT 454 TIP3 H1 HT 0.417000 1.0080 0 16850 WAT 454 TIP3 H2 HT 0.417000 1.0080 0 16851 WAT 455 TIP3 OH2 OT -0.834000 15.9994 0 16852 WAT 455 TIP3 H1 HT 0.417000 1.0080 0 16853 WAT 455 TIP3 H2 HT 0.417000 1.0080 0 16854 WAT 456 TIP3 OH2 OT -0.834000 15.9994 0 16855 WAT 456 TIP3 H1 HT 0.417000 1.0080 0 16856 WAT 456 TIP3 H2 HT 0.417000 1.0080 0 16857 WAT 457 TIP3 OH2 OT -0.834000 15.9994 0 16858 WAT 457 TIP3 H1 HT 0.417000 1.0080 0 16859 WAT 457 TIP3 H2 HT 0.417000 1.0080 0 16860 WAT 458 TIP3 OH2 OT -0.834000 15.9994 0 16861 WAT 458 TIP3 H1 HT 0.417000 1.0080 0 16862 WAT 458 TIP3 H2 HT 0.417000 1.0080 0 16863 WAT 459 TIP3 OH2 OT -0.834000 15.9994 0 16864 WAT 459 TIP3 H1 HT 0.417000 1.0080 0 16865 WAT 459 TIP3 H2 HT 0.417000 1.0080 0 16866 WAT 460 TIP3 OH2 OT -0.834000 15.9994 0 16867 WAT 460 TIP3 H1 HT 0.417000 1.0080 0 16868 WAT 460 TIP3 H2 HT 0.417000 1.0080 0 16869 WAT 461 TIP3 OH2 OT -0.834000 15.9994 0 16870 WAT 461 TIP3 H1 HT 0.417000 1.0080 0 16871 WAT 461 TIP3 H2 HT 0.417000 1.0080 0 16872 WAT 462 TIP3 OH2 OT -0.834000 15.9994 0 16873 WAT 462 TIP3 H1 HT 0.417000 1.0080 0 16874 WAT 462 TIP3 H2 HT 0.417000 1.0080 0 16875 WAT 463 TIP3 OH2 OT -0.834000 15.9994 0 16876 WAT 463 TIP3 H1 HT 0.417000 1.0080 0 16877 WAT 463 TIP3 H2 HT 0.417000 1.0080 0 16878 WAT 464 TIP3 OH2 OT -0.834000 15.9994 0 16879 WAT 464 TIP3 H1 HT 0.417000 1.0080 0 16880 WAT 464 TIP3 H2 HT 0.417000 1.0080 0 16881 WAT 465 TIP3 OH2 OT -0.834000 15.9994 0 16882 WAT 465 TIP3 H1 HT 0.417000 1.0080 0 16883 WAT 465 TIP3 H2 HT 0.417000 1.0080 0 16884 WAT 466 TIP3 OH2 OT -0.834000 15.9994 0 16885 WAT 466 TIP3 H1 HT 0.417000 1.0080 0 16886 WAT 466 TIP3 H2 HT 0.417000 1.0080 0 16887 WAT 467 TIP3 OH2 OT -0.834000 15.9994 0 16888 WAT 467 TIP3 H1 HT 0.417000 1.0080 0 16889 WAT 467 TIP3 H2 HT 0.417000 1.0080 0 16890 WAT 468 TIP3 OH2 OT -0.834000 15.9994 0 16891 WAT 468 TIP3 H1 HT 0.417000 1.0080 0 16892 WAT 468 TIP3 H2 HT 0.417000 1.0080 0 16893 WAT 469 TIP3 OH2 OT -0.834000 15.9994 0 16894 WAT 469 TIP3 H1 HT 0.417000 1.0080 0 16895 WAT 469 TIP3 H2 HT 0.417000 1.0080 0 16896 WAT 470 TIP3 OH2 OT -0.834000 15.9994 0 16897 WAT 470 TIP3 H1 HT 0.417000 1.0080 0 16898 WAT 470 TIP3 H2 HT 0.417000 1.0080 0 16899 WAT 471 TIP3 OH2 OT -0.834000 15.9994 0 16900 WAT 471 TIP3 H1 HT 0.417000 1.0080 0 16901 WAT 471 TIP3 H2 HT 0.417000 1.0080 0 16902 WAT 472 TIP3 OH2 OT -0.834000 15.9994 0 16903 WAT 472 TIP3 H1 HT 0.417000 1.0080 0 16904 WAT 472 TIP3 H2 HT 0.417000 1.0080 0 16905 WAT 473 TIP3 OH2 OT -0.834000 15.9994 0 16906 WAT 473 TIP3 H1 HT 0.417000 1.0080 0 16907 WAT 473 TIP3 H2 HT 0.417000 1.0080 0 16908 WAT 474 TIP3 OH2 OT -0.834000 15.9994 0 16909 WAT 474 TIP3 H1 HT 0.417000 1.0080 0 16910 WAT 474 TIP3 H2 HT 0.417000 1.0080 0 16911 WAT 475 TIP3 OH2 OT -0.834000 15.9994 0 16912 WAT 475 TIP3 H1 HT 0.417000 1.0080 0 16913 WAT 475 TIP3 H2 HT 0.417000 1.0080 0 16914 WAT 476 TIP3 OH2 OT -0.834000 15.9994 0 16915 WAT 476 TIP3 H1 HT 0.417000 1.0080 0 16916 WAT 476 TIP3 H2 HT 0.417000 1.0080 0 16917 WAT 477 TIP3 OH2 OT -0.834000 15.9994 0 16918 WAT 477 TIP3 H1 HT 0.417000 1.0080 0 16919 WAT 477 TIP3 H2 HT 0.417000 1.0080 0 16920 WAT 478 TIP3 OH2 OT -0.834000 15.9994 0 16921 WAT 478 TIP3 H1 HT 0.417000 1.0080 0 16922 WAT 478 TIP3 H2 HT 0.417000 1.0080 0 16923 WAT 479 TIP3 OH2 OT -0.834000 15.9994 0 16924 WAT 479 TIP3 H1 HT 0.417000 1.0080 0 16925 WAT 479 TIP3 H2 HT 0.417000 1.0080 0 16926 WAT 480 TIP3 OH2 OT -0.834000 15.9994 0 16927 WAT 480 TIP3 H1 HT 0.417000 1.0080 0 16928 WAT 480 TIP3 H2 HT 0.417000 1.0080 0 16929 WAT 481 TIP3 OH2 OT -0.834000 15.9994 0 16930 WAT 481 TIP3 H1 HT 0.417000 1.0080 0 16931 WAT 481 TIP3 H2 HT 0.417000 1.0080 0 16932 WAT 482 TIP3 OH2 OT -0.834000 15.9994 0 16933 WAT 482 TIP3 H1 HT 0.417000 1.0080 0 16934 WAT 482 TIP3 H2 HT 0.417000 1.0080 0 16935 WAT 483 TIP3 OH2 OT -0.834000 15.9994 0 16936 WAT 483 TIP3 H1 HT 0.417000 1.0080 0 16937 WAT 483 TIP3 H2 HT 0.417000 1.0080 0 16938 WAT 484 TIP3 OH2 OT -0.834000 15.9994 0 16939 WAT 484 TIP3 H1 HT 0.417000 1.0080 0 16940 WAT 484 TIP3 H2 HT 0.417000 1.0080 0 16941 WAT 485 TIP3 OH2 OT -0.834000 15.9994 0 16942 WAT 485 TIP3 H1 HT 0.417000 1.0080 0 16943 WAT 485 TIP3 H2 HT 0.417000 1.0080 0 16944 WAT 486 TIP3 OH2 OT -0.834000 15.9994 0 16945 WAT 486 TIP3 H1 HT 0.417000 1.0080 0 16946 WAT 486 TIP3 H2 HT 0.417000 1.0080 0 16947 WAT 487 TIP3 OH2 OT -0.834000 15.9994 0 16948 WAT 487 TIP3 H1 HT 0.417000 1.0080 0 16949 WAT 487 TIP3 H2 HT 0.417000 1.0080 0 16950 WAT 488 TIP3 OH2 OT -0.834000 15.9994 0 16951 WAT 488 TIP3 H1 HT 0.417000 1.0080 0 16952 WAT 488 TIP3 H2 HT 0.417000 1.0080 0 16953 WAT 489 TIP3 OH2 OT -0.834000 15.9994 0 16954 WAT 489 TIP3 H1 HT 0.417000 1.0080 0 16955 WAT 489 TIP3 H2 HT 0.417000 1.0080 0 16956 WAT 490 TIP3 OH2 OT -0.834000 15.9994 0 16957 WAT 490 TIP3 H1 HT 0.417000 1.0080 0 16958 WAT 490 TIP3 H2 HT 0.417000 1.0080 0 16959 WAT 491 TIP3 OH2 OT -0.834000 15.9994 0 16960 WAT 491 TIP3 H1 HT 0.417000 1.0080 0 16961 WAT 491 TIP3 H2 HT 0.417000 1.0080 0 16962 WAT 492 TIP3 OH2 OT -0.834000 15.9994 0 16963 WAT 492 TIP3 H1 HT 0.417000 1.0080 0 16964 WAT 492 TIP3 H2 HT 0.417000 1.0080 0 16965 WAT 493 TIP3 OH2 OT -0.834000 15.9994 0 16966 WAT 493 TIP3 H1 HT 0.417000 1.0080 0 16967 WAT 493 TIP3 H2 HT 0.417000 1.0080 0 16968 WAT 494 TIP3 OH2 OT -0.834000 15.9994 0 16969 WAT 494 TIP3 H1 HT 0.417000 1.0080 0 16970 WAT 494 TIP3 H2 HT 0.417000 1.0080 0 16971 WAT 495 TIP3 OH2 OT -0.834000 15.9994 0 16972 WAT 495 TIP3 H1 HT 0.417000 1.0080 0 16973 WAT 495 TIP3 H2 HT 0.417000 1.0080 0 16974 WAT 496 TIP3 OH2 OT -0.834000 15.9994 0 16975 WAT 496 TIP3 H1 HT 0.417000 1.0080 0 16976 WAT 496 TIP3 H2 HT 0.417000 1.0080 0 16977 WAT 497 TIP3 OH2 OT -0.834000 15.9994 0 16978 WAT 497 TIP3 H1 HT 0.417000 1.0080 0 16979 WAT 497 TIP3 H2 HT 0.417000 1.0080 0 16980 WAT 498 TIP3 OH2 OT -0.834000 15.9994 0 16981 WAT 498 TIP3 H1 HT 0.417000 1.0080 0 16982 WAT 498 TIP3 H2 HT 0.417000 1.0080 0 16983 WAT 499 TIP3 OH2 OT -0.834000 15.9994 0 16984 WAT 499 TIP3 H1 HT 0.417000 1.0080 0 16985 WAT 499 TIP3 H2 HT 0.417000 1.0080 0 16986 WAT 500 TIP3 OH2 OT -0.834000 15.9994 0 16987 WAT 500 TIP3 H1 HT 0.417000 1.0080 0 16988 WAT 500 TIP3 H2 HT 0.417000 1.0080 0 16989 WAT 501 TIP3 OH2 OT -0.834000 15.9994 0 16990 WAT 501 TIP3 H1 HT 0.417000 1.0080 0 16991 WAT 501 TIP3 H2 HT 0.417000 1.0080 0 16992 WAT 502 TIP3 OH2 OT -0.834000 15.9994 0 16993 WAT 502 TIP3 H1 HT 0.417000 1.0080 0 16994 WAT 502 TIP3 H2 HT 0.417000 1.0080 0 16995 WAT 503 TIP3 OH2 OT -0.834000 15.9994 0 16996 WAT 503 TIP3 H1 HT 0.417000 1.0080 0 16997 WAT 503 TIP3 H2 HT 0.417000 1.0080 0 16998 WAT 504 TIP3 OH2 OT -0.834000 15.9994 0 16999 WAT 504 TIP3 H1 HT 0.417000 1.0080 0 17000 WAT 504 TIP3 H2 HT 0.417000 1.0080 0 17001 WAT 505 TIP3 OH2 OT -0.834000 15.9994 0 17002 WAT 505 TIP3 H1 HT 0.417000 1.0080 0 17003 WAT 505 TIP3 H2 HT 0.417000 1.0080 0 17004 WAT 506 TIP3 OH2 OT -0.834000 15.9994 0 17005 WAT 506 TIP3 H1 HT 0.417000 1.0080 0 17006 WAT 506 TIP3 H2 HT 0.417000 1.0080 0 17007 WAT 507 TIP3 OH2 OT -0.834000 15.9994 0 17008 WAT 507 TIP3 H1 HT 0.417000 1.0080 0 17009 WAT 507 TIP3 H2 HT 0.417000 1.0080 0 17010 WAT 508 TIP3 OH2 OT -0.834000 15.9994 0 17011 WAT 508 TIP3 H1 HT 0.417000 1.0080 0 17012 WAT 508 TIP3 H2 HT 0.417000 1.0080 0 17013 WAT 509 TIP3 OH2 OT -0.834000 15.9994 0 17014 WAT 509 TIP3 H1 HT 0.417000 1.0080 0 17015 WAT 509 TIP3 H2 HT 0.417000 1.0080 0 17016 WAT 510 TIP3 OH2 OT -0.834000 15.9994 0 17017 WAT 510 TIP3 H1 HT 0.417000 1.0080 0 17018 WAT 510 TIP3 H2 HT 0.417000 1.0080 0 17019 WAT 511 TIP3 OH2 OT -0.834000 15.9994 0 17020 WAT 511 TIP3 H1 HT 0.417000 1.0080 0 17021 WAT 511 TIP3 H2 HT 0.417000 1.0080 0 17022 WAT 512 TIP3 OH2 OT -0.834000 15.9994 0 17023 WAT 512 TIP3 H1 HT 0.417000 1.0080 0 17024 WAT 512 TIP3 H2 HT 0.417000 1.0080 0 17025 WAT 513 TIP3 OH2 OT -0.834000 15.9994 0 17026 WAT 513 TIP3 H1 HT 0.417000 1.0080 0 17027 WAT 513 TIP3 H2 HT 0.417000 1.0080 0 17028 WAT 514 TIP3 OH2 OT -0.834000 15.9994 0 17029 WAT 514 TIP3 H1 HT 0.417000 1.0080 0 17030 WAT 514 TIP3 H2 HT 0.417000 1.0080 0 17031 WAT 515 TIP3 OH2 OT -0.834000 15.9994 0 17032 WAT 515 TIP3 H1 HT 0.417000 1.0080 0 17033 WAT 515 TIP3 H2 HT 0.417000 1.0080 0 17034 WAT 516 TIP3 OH2 OT -0.834000 15.9994 0 17035 WAT 516 TIP3 H1 HT 0.417000 1.0080 0 17036 WAT 516 TIP3 H2 HT 0.417000 1.0080 0 17037 WAT 517 TIP3 OH2 OT -0.834000 15.9994 0 17038 WAT 517 TIP3 H1 HT 0.417000 1.0080 0 17039 WAT 517 TIP3 H2 HT 0.417000 1.0080 0 17040 WAT 518 TIP3 OH2 OT -0.834000 15.9994 0 17041 WAT 518 TIP3 H1 HT 0.417000 1.0080 0 17042 WAT 518 TIP3 H2 HT 0.417000 1.0080 0 17043 WAT 519 TIP3 OH2 OT -0.834000 15.9994 0 17044 WAT 519 TIP3 H1 HT 0.417000 1.0080 0 17045 WAT 519 TIP3 H2 HT 0.417000 1.0080 0 17046 WAT 520 TIP3 OH2 OT -0.834000 15.9994 0 17047 WAT 520 TIP3 H1 HT 0.417000 1.0080 0 17048 WAT 520 TIP3 H2 HT 0.417000 1.0080 0 17049 WAT 521 TIP3 OH2 OT -0.834000 15.9994 0 17050 WAT 521 TIP3 H1 HT 0.417000 1.0080 0 17051 WAT 521 TIP3 H2 HT 0.417000 1.0080 0 17052 WAT 522 TIP3 OH2 OT -0.834000 15.9994 0 17053 WAT 522 TIP3 H1 HT 0.417000 1.0080 0 17054 WAT 522 TIP3 H2 HT 0.417000 1.0080 0 17055 WAT 523 TIP3 OH2 OT -0.834000 15.9994 0 17056 WAT 523 TIP3 H1 HT 0.417000 1.0080 0 17057 WAT 523 TIP3 H2 HT 0.417000 1.0080 0 17058 WAT 524 TIP3 OH2 OT -0.834000 15.9994 0 17059 WAT 524 TIP3 H1 HT 0.417000 1.0080 0 17060 WAT 524 TIP3 H2 HT 0.417000 1.0080 0 17061 WAT 525 TIP3 OH2 OT -0.834000 15.9994 0 17062 WAT 525 TIP3 H1 HT 0.417000 1.0080 0 17063 WAT 525 TIP3 H2 HT 0.417000 1.0080 0 17064 WAT 526 TIP3 OH2 OT -0.834000 15.9994 0 17065 WAT 526 TIP3 H1 HT 0.417000 1.0080 0 17066 WAT 526 TIP3 H2 HT 0.417000 1.0080 0 17067 WAT 527 TIP3 OH2 OT -0.834000 15.9994 0 17068 WAT 527 TIP3 H1 HT 0.417000 1.0080 0 17069 WAT 527 TIP3 H2 HT 0.417000 1.0080 0 17070 WAT 528 TIP3 OH2 OT -0.834000 15.9994 0 17071 WAT 528 TIP3 H1 HT 0.417000 1.0080 0 17072 WAT 528 TIP3 H2 HT 0.417000 1.0080 0 17073 WAT 529 TIP3 OH2 OT -0.834000 15.9994 0 17074 WAT 529 TIP3 H1 HT 0.417000 1.0080 0 17075 WAT 529 TIP3 H2 HT 0.417000 1.0080 0 17076 WAT 530 TIP3 OH2 OT -0.834000 15.9994 0 17077 WAT 530 TIP3 H1 HT 0.417000 1.0080 0 17078 WAT 530 TIP3 H2 HT 0.417000 1.0080 0 17079 WAT 531 TIP3 OH2 OT -0.834000 15.9994 0 17080 WAT 531 TIP3 H1 HT 0.417000 1.0080 0 17081 WAT 531 TIP3 H2 HT 0.417000 1.0080 0 17082 WAT 532 TIP3 OH2 OT -0.834000 15.9994 0 17083 WAT 532 TIP3 H1 HT 0.417000 1.0080 0 17084 WAT 532 TIP3 H2 HT 0.417000 1.0080 0 17085 WAT 533 TIP3 OH2 OT -0.834000 15.9994 0 17086 WAT 533 TIP3 H1 HT 0.417000 1.0080 0 17087 WAT 533 TIP3 H2 HT 0.417000 1.0080 0 17088 WAT 534 TIP3 OH2 OT -0.834000 15.9994 0 17089 WAT 534 TIP3 H1 HT 0.417000 1.0080 0 17090 WAT 534 TIP3 H2 HT 0.417000 1.0080 0 17091 WAT 535 TIP3 OH2 OT -0.834000 15.9994 0 17092 WAT 535 TIP3 H1 HT 0.417000 1.0080 0 17093 WAT 535 TIP3 H2 HT 0.417000 1.0080 0 17094 WAT 536 TIP3 OH2 OT -0.834000 15.9994 0 17095 WAT 536 TIP3 H1 HT 0.417000 1.0080 0 17096 WAT 536 TIP3 H2 HT 0.417000 1.0080 0 17097 WAT 537 TIP3 OH2 OT -0.834000 15.9994 0 17098 WAT 537 TIP3 H1 HT 0.417000 1.0080 0 17099 WAT 537 TIP3 H2 HT 0.417000 1.0080 0 17100 WAT 538 TIP3 OH2 OT -0.834000 15.9994 0 17101 WAT 538 TIP3 H1 HT 0.417000 1.0080 0 17102 WAT 538 TIP3 H2 HT 0.417000 1.0080 0 17103 WAT 539 TIP3 OH2 OT -0.834000 15.9994 0 17104 WAT 539 TIP3 H1 HT 0.417000 1.0080 0 17105 WAT 539 TIP3 H2 HT 0.417000 1.0080 0 17106 WAT 540 TIP3 OH2 OT -0.834000 15.9994 0 17107 WAT 540 TIP3 H1 HT 0.417000 1.0080 0 17108 WAT 540 TIP3 H2 HT 0.417000 1.0080 0 17109 WAT 541 TIP3 OH2 OT -0.834000 15.9994 0 17110 WAT 541 TIP3 H1 HT 0.417000 1.0080 0 17111 WAT 541 TIP3 H2 HT 0.417000 1.0080 0 17112 WAT 542 TIP3 OH2 OT -0.834000 15.9994 0 17113 WAT 542 TIP3 H1 HT 0.417000 1.0080 0 17114 WAT 542 TIP3 H2 HT 0.417000 1.0080 0 17115 WAT 543 TIP3 OH2 OT -0.834000 15.9994 0 17116 WAT 543 TIP3 H1 HT 0.417000 1.0080 0 17117 WAT 543 TIP3 H2 HT 0.417000 1.0080 0 17118 WAT 544 TIP3 OH2 OT -0.834000 15.9994 0 17119 WAT 544 TIP3 H1 HT 0.417000 1.0080 0 17120 WAT 544 TIP3 H2 HT 0.417000 1.0080 0 17121 WAT 545 TIP3 OH2 OT -0.834000 15.9994 0 17122 WAT 545 TIP3 H1 HT 0.417000 1.0080 0 17123 WAT 545 TIP3 H2 HT 0.417000 1.0080 0 17124 WAT 546 TIP3 OH2 OT -0.834000 15.9994 0 17125 WAT 546 TIP3 H1 HT 0.417000 1.0080 0 17126 WAT 546 TIP3 H2 HT 0.417000 1.0080 0 17127 WAT 547 TIP3 OH2 OT -0.834000 15.9994 0 17128 WAT 547 TIP3 H1 HT 0.417000 1.0080 0 17129 WAT 547 TIP3 H2 HT 0.417000 1.0080 0 17130 WAT 548 TIP3 OH2 OT -0.834000 15.9994 0 17131 WAT 548 TIP3 H1 HT 0.417000 1.0080 0 17132 WAT 548 TIP3 H2 HT 0.417000 1.0080 0 17133 WAT 549 TIP3 OH2 OT -0.834000 15.9994 0 17134 WAT 549 TIP3 H1 HT 0.417000 1.0080 0 17135 WAT 549 TIP3 H2 HT 0.417000 1.0080 0 17136 WAT 550 TIP3 OH2 OT -0.834000 15.9994 0 17137 WAT 550 TIP3 H1 HT 0.417000 1.0080 0 17138 WAT 550 TIP3 H2 HT 0.417000 1.0080 0 17139 WAT 551 TIP3 OH2 OT -0.834000 15.9994 0 17140 WAT 551 TIP3 H1 HT 0.417000 1.0080 0 17141 WAT 551 TIP3 H2 HT 0.417000 1.0080 0 17142 WAT 552 TIP3 OH2 OT -0.834000 15.9994 0 17143 WAT 552 TIP3 H1 HT 0.417000 1.0080 0 17144 WAT 552 TIP3 H2 HT 0.417000 1.0080 0 17145 WAT 553 TIP3 OH2 OT -0.834000 15.9994 0 17146 WAT 553 TIP3 H1 HT 0.417000 1.0080 0 17147 WAT 553 TIP3 H2 HT 0.417000 1.0080 0 17148 WAT 554 TIP3 OH2 OT -0.834000 15.9994 0 17149 WAT 554 TIP3 H1 HT 0.417000 1.0080 0 17150 WAT 554 TIP3 H2 HT 0.417000 1.0080 0 17151 WAT 555 TIP3 OH2 OT -0.834000 15.9994 0 17152 WAT 555 TIP3 H1 HT 0.417000 1.0080 0 17153 WAT 555 TIP3 H2 HT 0.417000 1.0080 0 17154 WAT 556 TIP3 OH2 OT -0.834000 15.9994 0 17155 WAT 556 TIP3 H1 HT 0.417000 1.0080 0 17156 WAT 556 TIP3 H2 HT 0.417000 1.0080 0 17157 WAT 557 TIP3 OH2 OT -0.834000 15.9994 0 17158 WAT 557 TIP3 H1 HT 0.417000 1.0080 0 17159 WAT 557 TIP3 H2 HT 0.417000 1.0080 0 17160 WAT 558 TIP3 OH2 OT -0.834000 15.9994 0 17161 WAT 558 TIP3 H1 HT 0.417000 1.0080 0 17162 WAT 558 TIP3 H2 HT 0.417000 1.0080 0 17163 WAT 559 TIP3 OH2 OT -0.834000 15.9994 0 17164 WAT 559 TIP3 H1 HT 0.417000 1.0080 0 17165 WAT 559 TIP3 H2 HT 0.417000 1.0080 0 17166 WAT 560 TIP3 OH2 OT -0.834000 15.9994 0 17167 WAT 560 TIP3 H1 HT 0.417000 1.0080 0 17168 WAT 560 TIP3 H2 HT 0.417000 1.0080 0 17169 WAT 561 TIP3 OH2 OT -0.834000 15.9994 0 17170 WAT 561 TIP3 H1 HT 0.417000 1.0080 0 17171 WAT 561 TIP3 H2 HT 0.417000 1.0080 0 17172 WAT 562 TIP3 OH2 OT -0.834000 15.9994 0 17173 WAT 562 TIP3 H1 HT 0.417000 1.0080 0 17174 WAT 562 TIP3 H2 HT 0.417000 1.0080 0 17175 WAT 563 TIP3 OH2 OT -0.834000 15.9994 0 17176 WAT 563 TIP3 H1 HT 0.417000 1.0080 0 17177 WAT 563 TIP3 H2 HT 0.417000 1.0080 0 17178 WAT 564 TIP3 OH2 OT -0.834000 15.9994 0 17179 WAT 564 TIP3 H1 HT 0.417000 1.0080 0 17180 WAT 564 TIP3 H2 HT 0.417000 1.0080 0 17181 WAT 565 TIP3 OH2 OT -0.834000 15.9994 0 17182 WAT 565 TIP3 H1 HT 0.417000 1.0080 0 17183 WAT 565 TIP3 H2 HT 0.417000 1.0080 0 17184 WAT 566 TIP3 OH2 OT -0.834000 15.9994 0 17185 WAT 566 TIP3 H1 HT 0.417000 1.0080 0 17186 WAT 566 TIP3 H2 HT 0.417000 1.0080 0 17187 WAT 567 TIP3 OH2 OT -0.834000 15.9994 0 17188 WAT 567 TIP3 H1 HT 0.417000 1.0080 0 17189 WAT 567 TIP3 H2 HT 0.417000 1.0080 0 17190 WAT 568 TIP3 OH2 OT -0.834000 15.9994 0 17191 WAT 568 TIP3 H1 HT 0.417000 1.0080 0 17192 WAT 568 TIP3 H2 HT 0.417000 1.0080 0 17193 WAT 569 TIP3 OH2 OT -0.834000 15.9994 0 17194 WAT 569 TIP3 H1 HT 0.417000 1.0080 0 17195 WAT 569 TIP3 H2 HT 0.417000 1.0080 0 17196 WAT 570 TIP3 OH2 OT -0.834000 15.9994 0 17197 WAT 570 TIP3 H1 HT 0.417000 1.0080 0 17198 WAT 570 TIP3 H2 HT 0.417000 1.0080 0 17199 WAT 571 TIP3 OH2 OT -0.834000 15.9994 0 17200 WAT 571 TIP3 H1 HT 0.417000 1.0080 0 17201 WAT 571 TIP3 H2 HT 0.417000 1.0080 0 17202 WAT 572 TIP3 OH2 OT -0.834000 15.9994 0 17203 WAT 572 TIP3 H1 HT 0.417000 1.0080 0 17204 WAT 572 TIP3 H2 HT 0.417000 1.0080 0 17205 WAT 573 TIP3 OH2 OT -0.834000 15.9994 0 17206 WAT 573 TIP3 H1 HT 0.417000 1.0080 0 17207 WAT 573 TIP3 H2 HT 0.417000 1.0080 0 17208 WAT 574 TIP3 OH2 OT -0.834000 15.9994 0 17209 WAT 574 TIP3 H1 HT 0.417000 1.0080 0 17210 WAT 574 TIP3 H2 HT 0.417000 1.0080 0 17211 WAT 575 TIP3 OH2 OT -0.834000 15.9994 0 17212 WAT 575 TIP3 H1 HT 0.417000 1.0080 0 17213 WAT 575 TIP3 H2 HT 0.417000 1.0080 0 17214 WAT 576 TIP3 OH2 OT -0.834000 15.9994 0 17215 WAT 576 TIP3 H1 HT 0.417000 1.0080 0 17216 WAT 576 TIP3 H2 HT 0.417000 1.0080 0 17217 WAT 577 TIP3 OH2 OT -0.834000 15.9994 0 17218 WAT 577 TIP3 H1 HT 0.417000 1.0080 0 17219 WAT 577 TIP3 H2 HT 0.417000 1.0080 0 17220 WAT 578 TIP3 OH2 OT -0.834000 15.9994 0 17221 WAT 578 TIP3 H1 HT 0.417000 1.0080 0 17222 WAT 578 TIP3 H2 HT 0.417000 1.0080 0 17223 WAT 579 TIP3 OH2 OT -0.834000 15.9994 0 17224 WAT 579 TIP3 H1 HT 0.417000 1.0080 0 17225 WAT 579 TIP3 H2 HT 0.417000 1.0080 0 17226 WAT 580 TIP3 OH2 OT -0.834000 15.9994 0 17227 WAT 580 TIP3 H1 HT 0.417000 1.0080 0 17228 WAT 580 TIP3 H2 HT 0.417000 1.0080 0 17229 WAT 581 TIP3 OH2 OT -0.834000 15.9994 0 17230 WAT 581 TIP3 H1 HT 0.417000 1.0080 0 17231 WAT 581 TIP3 H2 HT 0.417000 1.0080 0 17232 WAT 582 TIP3 OH2 OT -0.834000 15.9994 0 17233 WAT 582 TIP3 H1 HT 0.417000 1.0080 0 17234 WAT 582 TIP3 H2 HT 0.417000 1.0080 0 17235 WAT 583 TIP3 OH2 OT -0.834000 15.9994 0 17236 WAT 583 TIP3 H1 HT 0.417000 1.0080 0 17237 WAT 583 TIP3 H2 HT 0.417000 1.0080 0 17238 WAT 584 TIP3 OH2 OT -0.834000 15.9994 0 17239 WAT 584 TIP3 H1 HT 0.417000 1.0080 0 17240 WAT 584 TIP3 H2 HT 0.417000 1.0080 0 17241 WAT 585 TIP3 OH2 OT -0.834000 15.9994 0 17242 WAT 585 TIP3 H1 HT 0.417000 1.0080 0 17243 WAT 585 TIP3 H2 HT 0.417000 1.0080 0 17244 WAT 586 TIP3 OH2 OT -0.834000 15.9994 0 17245 WAT 586 TIP3 H1 HT 0.417000 1.0080 0 17246 WAT 586 TIP3 H2 HT 0.417000 1.0080 0 17247 WAT 587 TIP3 OH2 OT -0.834000 15.9994 0 17248 WAT 587 TIP3 H1 HT 0.417000 1.0080 0 17249 WAT 587 TIP3 H2 HT 0.417000 1.0080 0 17250 WAT 588 TIP3 OH2 OT -0.834000 15.9994 0 17251 WAT 588 TIP3 H1 HT 0.417000 1.0080 0 17252 WAT 588 TIP3 H2 HT 0.417000 1.0080 0 17253 WAT 589 TIP3 OH2 OT -0.834000 15.9994 0 17254 WAT 589 TIP3 H1 HT 0.417000 1.0080 0 17255 WAT 589 TIP3 H2 HT 0.417000 1.0080 0 17256 WAT 590 TIP3 OH2 OT -0.834000 15.9994 0 17257 WAT 590 TIP3 H1 HT 0.417000 1.0080 0 17258 WAT 590 TIP3 H2 HT 0.417000 1.0080 0 17259 WAT 591 TIP3 OH2 OT -0.834000 15.9994 0 17260 WAT 591 TIP3 H1 HT 0.417000 1.0080 0 17261 WAT 591 TIP3 H2 HT 0.417000 1.0080 0 17262 WAT 592 TIP3 OH2 OT -0.834000 15.9994 0 17263 WAT 592 TIP3 H1 HT 0.417000 1.0080 0 17264 WAT 592 TIP3 H2 HT 0.417000 1.0080 0 17265 WAT 593 TIP3 OH2 OT -0.834000 15.9994 0 17266 WAT 593 TIP3 H1 HT 0.417000 1.0080 0 17267 WAT 593 TIP3 H2 HT 0.417000 1.0080 0 17268 WAT 594 TIP3 OH2 OT -0.834000 15.9994 0 17269 WAT 594 TIP3 H1 HT 0.417000 1.0080 0 17270 WAT 594 TIP3 H2 HT 0.417000 1.0080 0 17271 WAT 595 TIP3 OH2 OT -0.834000 15.9994 0 17272 WAT 595 TIP3 H1 HT 0.417000 1.0080 0 17273 WAT 595 TIP3 H2 HT 0.417000 1.0080 0 17274 WAT 596 TIP3 OH2 OT -0.834000 15.9994 0 17275 WAT 596 TIP3 H1 HT 0.417000 1.0080 0 17276 WAT 596 TIP3 H2 HT 0.417000 1.0080 0 17277 WAT 597 TIP3 OH2 OT -0.834000 15.9994 0 17278 WAT 597 TIP3 H1 HT 0.417000 1.0080 0 17279 WAT 597 TIP3 H2 HT 0.417000 1.0080 0 17280 WAT 598 TIP3 OH2 OT -0.834000 15.9994 0 17281 WAT 598 TIP3 H1 HT 0.417000 1.0080 0 17282 WAT 598 TIP3 H2 HT 0.417000 1.0080 0 17283 WAT 599 TIP3 OH2 OT -0.834000 15.9994 0 17284 WAT 599 TIP3 H1 HT 0.417000 1.0080 0 17285 WAT 599 TIP3 H2 HT 0.417000 1.0080 0 17286 WAT 600 TIP3 OH2 OT -0.834000 15.9994 0 17287 WAT 600 TIP3 H1 HT 0.417000 1.0080 0 17288 WAT 600 TIP3 H2 HT 0.417000 1.0080 0 17289 WAT 601 TIP3 OH2 OT -0.834000 15.9994 0 17290 WAT 601 TIP3 H1 HT 0.417000 1.0080 0 17291 WAT 601 TIP3 H2 HT 0.417000 1.0080 0 17292 WAT 602 TIP3 OH2 OT -0.834000 15.9994 0 17293 WAT 602 TIP3 H1 HT 0.417000 1.0080 0 17294 WAT 602 TIP3 H2 HT 0.417000 1.0080 0 17295 WAT 603 TIP3 OH2 OT -0.834000 15.9994 0 17296 WAT 603 TIP3 H1 HT 0.417000 1.0080 0 17297 WAT 603 TIP3 H2 HT 0.417000 1.0080 0 17298 WAT 604 TIP3 OH2 OT -0.834000 15.9994 0 17299 WAT 604 TIP3 H1 HT 0.417000 1.0080 0 17300 WAT 604 TIP3 H2 HT 0.417000 1.0080 0 17301 WAT 605 TIP3 OH2 OT -0.834000 15.9994 0 17302 WAT 605 TIP3 H1 HT 0.417000 1.0080 0 17303 WAT 605 TIP3 H2 HT 0.417000 1.0080 0 17304 WAT 606 TIP3 OH2 OT -0.834000 15.9994 0 17305 WAT 606 TIP3 H1 HT 0.417000 1.0080 0 17306 WAT 606 TIP3 H2 HT 0.417000 1.0080 0 17307 WAT 607 TIP3 OH2 OT -0.834000 15.9994 0 17308 WAT 607 TIP3 H1 HT 0.417000 1.0080 0 17309 WAT 607 TIP3 H2 HT 0.417000 1.0080 0 17310 WAT 608 TIP3 OH2 OT -0.834000 15.9994 0 17311 WAT 608 TIP3 H1 HT 0.417000 1.0080 0 17312 WAT 608 TIP3 H2 HT 0.417000 1.0080 0 17313 WAT 609 TIP3 OH2 OT -0.834000 15.9994 0 17314 WAT 609 TIP3 H1 HT 0.417000 1.0080 0 17315 WAT 609 TIP3 H2 HT 0.417000 1.0080 0 17316 WAT 610 TIP3 OH2 OT -0.834000 15.9994 0 17317 WAT 610 TIP3 H1 HT 0.417000 1.0080 0 17318 WAT 610 TIP3 H2 HT 0.417000 1.0080 0 17319 WAT 611 TIP3 OH2 OT -0.834000 15.9994 0 17320 WAT 611 TIP3 H1 HT 0.417000 1.0080 0 17321 WAT 611 TIP3 H2 HT 0.417000 1.0080 0 17322 WAT 612 TIP3 OH2 OT -0.834000 15.9994 0 17323 WAT 612 TIP3 H1 HT 0.417000 1.0080 0 17324 WAT 612 TIP3 H2 HT 0.417000 1.0080 0 17325 WAT 613 TIP3 OH2 OT -0.834000 15.9994 0 17326 WAT 613 TIP3 H1 HT 0.417000 1.0080 0 17327 WAT 613 TIP3 H2 HT 0.417000 1.0080 0 17328 WAT 614 TIP3 OH2 OT -0.834000 15.9994 0 17329 WAT 614 TIP3 H1 HT 0.417000 1.0080 0 17330 WAT 614 TIP3 H2 HT 0.417000 1.0080 0 17331 WAT 615 TIP3 OH2 OT -0.834000 15.9994 0 17332 WAT 615 TIP3 H1 HT 0.417000 1.0080 0 17333 WAT 615 TIP3 H2 HT 0.417000 1.0080 0 17334 WAT 616 TIP3 OH2 OT -0.834000 15.9994 0 17335 WAT 616 TIP3 H1 HT 0.417000 1.0080 0 17336 WAT 616 TIP3 H2 HT 0.417000 1.0080 0 17337 WAT 617 TIP3 OH2 OT -0.834000 15.9994 0 17338 WAT 617 TIP3 H1 HT 0.417000 1.0080 0 17339 WAT 617 TIP3 H2 HT 0.417000 1.0080 0 17340 WAT 618 TIP3 OH2 OT -0.834000 15.9994 0 17341 WAT 618 TIP3 H1 HT 0.417000 1.0080 0 17342 WAT 618 TIP3 H2 HT 0.417000 1.0080 0 17343 WAT 619 TIP3 OH2 OT -0.834000 15.9994 0 17344 WAT 619 TIP3 H1 HT 0.417000 1.0080 0 17345 WAT 619 TIP3 H2 HT 0.417000 1.0080 0 17346 WAT 620 TIP3 OH2 OT -0.834000 15.9994 0 17347 WAT 620 TIP3 H1 HT 0.417000 1.0080 0 17348 WAT 620 TIP3 H2 HT 0.417000 1.0080 0 17349 WAT 621 TIP3 OH2 OT -0.834000 15.9994 0 17350 WAT 621 TIP3 H1 HT 0.417000 1.0080 0 17351 WAT 621 TIP3 H2 HT 0.417000 1.0080 0 17352 WAT 622 TIP3 OH2 OT -0.834000 15.9994 0 17353 WAT 622 TIP3 H1 HT 0.417000 1.0080 0 17354 WAT 622 TIP3 H2 HT 0.417000 1.0080 0 17355 WAT 623 TIP3 OH2 OT -0.834000 15.9994 0 17356 WAT 623 TIP3 H1 HT 0.417000 1.0080 0 17357 WAT 623 TIP3 H2 HT 0.417000 1.0080 0 17358 WAT 624 TIP3 OH2 OT -0.834000 15.9994 0 17359 WAT 624 TIP3 H1 HT 0.417000 1.0080 0 17360 WAT 624 TIP3 H2 HT 0.417000 1.0080 0 17361 WAT 625 TIP3 OH2 OT -0.834000 15.9994 0 17362 WAT 625 TIP3 H1 HT 0.417000 1.0080 0 17363 WAT 625 TIP3 H2 HT 0.417000 1.0080 0 17364 WAT 626 TIP3 OH2 OT -0.834000 15.9994 0 17365 WAT 626 TIP3 H1 HT 0.417000 1.0080 0 17366 WAT 626 TIP3 H2 HT 0.417000 1.0080 0 17367 WAT 627 TIP3 OH2 OT -0.834000 15.9994 0 17368 WAT 627 TIP3 H1 HT 0.417000 1.0080 0 17369 WAT 627 TIP3 H2 HT 0.417000 1.0080 0 17370 WAT 628 TIP3 OH2 OT -0.834000 15.9994 0 17371 WAT 628 TIP3 H1 HT 0.417000 1.0080 0 17372 WAT 628 TIP3 H2 HT 0.417000 1.0080 0 17373 WAT 629 TIP3 OH2 OT -0.834000 15.9994 0 17374 WAT 629 TIP3 H1 HT 0.417000 1.0080 0 17375 WAT 629 TIP3 H2 HT 0.417000 1.0080 0 17376 WAT 630 TIP3 OH2 OT -0.834000 15.9994 0 17377 WAT 630 TIP3 H1 HT 0.417000 1.0080 0 17378 WAT 630 TIP3 H2 HT 0.417000 1.0080 0 17379 WAT 631 TIP3 OH2 OT -0.834000 15.9994 0 17380 WAT 631 TIP3 H1 HT 0.417000 1.0080 0 17381 WAT 631 TIP3 H2 HT 0.417000 1.0080 0 17382 WAT 632 TIP3 OH2 OT -0.834000 15.9994 0 17383 WAT 632 TIP3 H1 HT 0.417000 1.0080 0 17384 WAT 632 TIP3 H2 HT 0.417000 1.0080 0 17385 WAT 633 TIP3 OH2 OT -0.834000 15.9994 0 17386 WAT 633 TIP3 H1 HT 0.417000 1.0080 0 17387 WAT 633 TIP3 H2 HT 0.417000 1.0080 0 17388 WAT 634 TIP3 OH2 OT -0.834000 15.9994 0 17389 WAT 634 TIP3 H1 HT 0.417000 1.0080 0 17390 WAT 634 TIP3 H2 HT 0.417000 1.0080 0 17391 WAT 635 TIP3 OH2 OT -0.834000 15.9994 0 17392 WAT 635 TIP3 H1 HT 0.417000 1.0080 0 17393 WAT 635 TIP3 H2 HT 0.417000 1.0080 0 17394 WAT 636 TIP3 OH2 OT -0.834000 15.9994 0 17395 WAT 636 TIP3 H1 HT 0.417000 1.0080 0 17396 WAT 636 TIP3 H2 HT 0.417000 1.0080 0 17397 WAT 637 TIP3 OH2 OT -0.834000 15.9994 0 17398 WAT 637 TIP3 H1 HT 0.417000 1.0080 0 17399 WAT 637 TIP3 H2 HT 0.417000 1.0080 0 17400 WAT 638 TIP3 OH2 OT -0.834000 15.9994 0 17401 WAT 638 TIP3 H1 HT 0.417000 1.0080 0 17402 WAT 638 TIP3 H2 HT 0.417000 1.0080 0 17403 WAT 639 TIP3 OH2 OT -0.834000 15.9994 0 17404 WAT 639 TIP3 H1 HT 0.417000 1.0080 0 17405 WAT 639 TIP3 H2 HT 0.417000 1.0080 0 17406 WAT 640 TIP3 OH2 OT -0.834000 15.9994 0 17407 WAT 640 TIP3 H1 HT 0.417000 1.0080 0 17408 WAT 640 TIP3 H2 HT 0.417000 1.0080 0 17409 WAT 641 TIP3 OH2 OT -0.834000 15.9994 0 17410 WAT 641 TIP3 H1 HT 0.417000 1.0080 0 17411 WAT 641 TIP3 H2 HT 0.417000 1.0080 0 17412 WAT 642 TIP3 OH2 OT -0.834000 15.9994 0 17413 WAT 642 TIP3 H1 HT 0.417000 1.0080 0 17414 WAT 642 TIP3 H2 HT 0.417000 1.0080 0 17415 WAT 643 TIP3 OH2 OT -0.834000 15.9994 0 17416 WAT 643 TIP3 H1 HT 0.417000 1.0080 0 17417 WAT 643 TIP3 H2 HT 0.417000 1.0080 0 17418 WAT 644 TIP3 OH2 OT -0.834000 15.9994 0 17419 WAT 644 TIP3 H1 HT 0.417000 1.0080 0 17420 WAT 644 TIP3 H2 HT 0.417000 1.0080 0 17421 WAT 645 TIP3 OH2 OT -0.834000 15.9994 0 17422 WAT 645 TIP3 H1 HT 0.417000 1.0080 0 17423 WAT 645 TIP3 H2 HT 0.417000 1.0080 0 17424 WAT 646 TIP3 OH2 OT -0.834000 15.9994 0 17425 WAT 646 TIP3 H1 HT 0.417000 1.0080 0 17426 WAT 646 TIP3 H2 HT 0.417000 1.0080 0 17427 WAT 647 TIP3 OH2 OT -0.834000 15.9994 0 17428 WAT 647 TIP3 H1 HT 0.417000 1.0080 0 17429 WAT 647 TIP3 H2 HT 0.417000 1.0080 0 17430 WAT 648 TIP3 OH2 OT -0.834000 15.9994 0 17431 WAT 648 TIP3 H1 HT 0.417000 1.0080 0 17432 WAT 648 TIP3 H2 HT 0.417000 1.0080 0 17433 WAT 649 TIP3 OH2 OT -0.834000 15.9994 0 17434 WAT 649 TIP3 H1 HT 0.417000 1.0080 0 17435 WAT 649 TIP3 H2 HT 0.417000 1.0080 0 17436 WAT 650 TIP3 OH2 OT -0.834000 15.9994 0 17437 WAT 650 TIP3 H1 HT 0.417000 1.0080 0 17438 WAT 650 TIP3 H2 HT 0.417000 1.0080 0 17439 WAT 651 TIP3 OH2 OT -0.834000 15.9994 0 17440 WAT 651 TIP3 H1 HT 0.417000 1.0080 0 17441 WAT 651 TIP3 H2 HT 0.417000 1.0080 0 17442 WAT 652 TIP3 OH2 OT -0.834000 15.9994 0 17443 WAT 652 TIP3 H1 HT 0.417000 1.0080 0 17444 WAT 652 TIP3 H2 HT 0.417000 1.0080 0 17445 WAT 653 TIP3 OH2 OT -0.834000 15.9994 0 17446 WAT 653 TIP3 H1 HT 0.417000 1.0080 0 17447 WAT 653 TIP3 H2 HT 0.417000 1.0080 0 17448 WAT 654 TIP3 OH2 OT -0.834000 15.9994 0 17449 WAT 654 TIP3 H1 HT 0.417000 1.0080 0 17450 WAT 654 TIP3 H2 HT 0.417000 1.0080 0 17451 WAT 655 TIP3 OH2 OT -0.834000 15.9994 0 17452 WAT 655 TIP3 H1 HT 0.417000 1.0080 0 17453 WAT 655 TIP3 H2 HT 0.417000 1.0080 0 17454 WAT 656 TIP3 OH2 OT -0.834000 15.9994 0 17455 WAT 656 TIP3 H1 HT 0.417000 1.0080 0 17456 WAT 656 TIP3 H2 HT 0.417000 1.0080 0 17457 WAT 657 TIP3 OH2 OT -0.834000 15.9994 0 17458 WAT 657 TIP3 H1 HT 0.417000 1.0080 0 17459 WAT 657 TIP3 H2 HT 0.417000 1.0080 0 17460 WAT 658 TIP3 OH2 OT -0.834000 15.9994 0 17461 WAT 658 TIP3 H1 HT 0.417000 1.0080 0 17462 WAT 658 TIP3 H2 HT 0.417000 1.0080 0 17463 WAT 659 TIP3 OH2 OT -0.834000 15.9994 0 17464 WAT 659 TIP3 H1 HT 0.417000 1.0080 0 17465 WAT 659 TIP3 H2 HT 0.417000 1.0080 0 17466 WAT 660 TIP3 OH2 OT -0.834000 15.9994 0 17467 WAT 660 TIP3 H1 HT 0.417000 1.0080 0 17468 WAT 660 TIP3 H2 HT 0.417000 1.0080 0 17469 WAT 661 TIP3 OH2 OT -0.834000 15.9994 0 17470 WAT 661 TIP3 H1 HT 0.417000 1.0080 0 17471 WAT 661 TIP3 H2 HT 0.417000 1.0080 0 17472 WAT 662 TIP3 OH2 OT -0.834000 15.9994 0 17473 WAT 662 TIP3 H1 HT 0.417000 1.0080 0 17474 WAT 662 TIP3 H2 HT 0.417000 1.0080 0 17475 WAT 663 TIP3 OH2 OT -0.834000 15.9994 0 17476 WAT 663 TIP3 H1 HT 0.417000 1.0080 0 17477 WAT 663 TIP3 H2 HT 0.417000 1.0080 0 17478 WAT 664 TIP3 OH2 OT -0.834000 15.9994 0 17479 WAT 664 TIP3 H1 HT 0.417000 1.0080 0 17480 WAT 664 TIP3 H2 HT 0.417000 1.0080 0 17481 WAT 665 TIP3 OH2 OT -0.834000 15.9994 0 17482 WAT 665 TIP3 H1 HT 0.417000 1.0080 0 17483 WAT 665 TIP3 H2 HT 0.417000 1.0080 0 17484 WAT 666 TIP3 OH2 OT -0.834000 15.9994 0 17485 WAT 666 TIP3 H1 HT 0.417000 1.0080 0 17486 WAT 666 TIP3 H2 HT 0.417000 1.0080 0 17487 WAT 667 TIP3 OH2 OT -0.834000 15.9994 0 17488 WAT 667 TIP3 H1 HT 0.417000 1.0080 0 17489 WAT 667 TIP3 H2 HT 0.417000 1.0080 0 17490 WAT 668 TIP3 OH2 OT -0.834000 15.9994 0 17491 WAT 668 TIP3 H1 HT 0.417000 1.0080 0 17492 WAT 668 TIP3 H2 HT 0.417000 1.0080 0 17493 WAT 669 TIP3 OH2 OT -0.834000 15.9994 0 17494 WAT 669 TIP3 H1 HT 0.417000 1.0080 0 17495 WAT 669 TIP3 H2 HT 0.417000 1.0080 0 17496 WAT 670 TIP3 OH2 OT -0.834000 15.9994 0 17497 WAT 670 TIP3 H1 HT 0.417000 1.0080 0 17498 WAT 670 TIP3 H2 HT 0.417000 1.0080 0 17499 WAT 671 TIP3 OH2 OT -0.834000 15.9994 0 17500 WAT 671 TIP3 H1 HT 0.417000 1.0080 0 17501 WAT 671 TIP3 H2 HT 0.417000 1.0080 0 17502 WAT 672 TIP3 OH2 OT -0.834000 15.9994 0 17503 WAT 672 TIP3 H1 HT 0.417000 1.0080 0 17504 WAT 672 TIP3 H2 HT 0.417000 1.0080 0 17505 WAT 673 TIP3 OH2 OT -0.834000 15.9994 0 17506 WAT 673 TIP3 H1 HT 0.417000 1.0080 0 17507 WAT 673 TIP3 H2 HT 0.417000 1.0080 0 17508 WAT 674 TIP3 OH2 OT -0.834000 15.9994 0 17509 WAT 674 TIP3 H1 HT 0.417000 1.0080 0 17510 WAT 674 TIP3 H2 HT 0.417000 1.0080 0 17511 WAT 675 TIP3 OH2 OT -0.834000 15.9994 0 17512 WAT 675 TIP3 H1 HT 0.417000 1.0080 0 17513 WAT 675 TIP3 H2 HT 0.417000 1.0080 0 17514 WAT 676 TIP3 OH2 OT -0.834000 15.9994 0 17515 WAT 676 TIP3 H1 HT 0.417000 1.0080 0 17516 WAT 676 TIP3 H2 HT 0.417000 1.0080 0 17517 WAT 677 TIP3 OH2 OT -0.834000 15.9994 0 17518 WAT 677 TIP3 H1 HT 0.417000 1.0080 0 17519 WAT 677 TIP3 H2 HT 0.417000 1.0080 0 17520 WAT 678 TIP3 OH2 OT -0.834000 15.9994 0 17521 WAT 678 TIP3 H1 HT 0.417000 1.0080 0 17522 WAT 678 TIP3 H2 HT 0.417000 1.0080 0 17523 WAT 679 TIP3 OH2 OT -0.834000 15.9994 0 17524 WAT 679 TIP3 H1 HT 0.417000 1.0080 0 17525 WAT 679 TIP3 H2 HT 0.417000 1.0080 0 17526 WAT 680 TIP3 OH2 OT -0.834000 15.9994 0 17527 WAT 680 TIP3 H1 HT 0.417000 1.0080 0 17528 WAT 680 TIP3 H2 HT 0.417000 1.0080 0 17529 WAT 681 TIP3 OH2 OT -0.834000 15.9994 0 17530 WAT 681 TIP3 H1 HT 0.417000 1.0080 0 17531 WAT 681 TIP3 H2 HT 0.417000 1.0080 0 17532 WAT 682 TIP3 OH2 OT -0.834000 15.9994 0 17533 WAT 682 TIP3 H1 HT 0.417000 1.0080 0 17534 WAT 682 TIP3 H2 HT 0.417000 1.0080 0 17535 WAT 683 TIP3 OH2 OT -0.834000 15.9994 0 17536 WAT 683 TIP3 H1 HT 0.417000 1.0080 0 17537 WAT 683 TIP3 H2 HT 0.417000 1.0080 0 17538 WAT 684 TIP3 OH2 OT -0.834000 15.9994 0 17539 WAT 684 TIP3 H1 HT 0.417000 1.0080 0 17540 WAT 684 TIP3 H2 HT 0.417000 1.0080 0 17541 WAT 685 TIP3 OH2 OT -0.834000 15.9994 0 17542 WAT 685 TIP3 H1 HT 0.417000 1.0080 0 17543 WAT 685 TIP3 H2 HT 0.417000 1.0080 0 17544 WAT 686 TIP3 OH2 OT -0.834000 15.9994 0 17545 WAT 686 TIP3 H1 HT 0.417000 1.0080 0 17546 WAT 686 TIP3 H2 HT 0.417000 1.0080 0 17547 WAT 687 TIP3 OH2 OT -0.834000 15.9994 0 17548 WAT 687 TIP3 H1 HT 0.417000 1.0080 0 17549 WAT 687 TIP3 H2 HT 0.417000 1.0080 0 17550 WAT 688 TIP3 OH2 OT -0.834000 15.9994 0 17551 WAT 688 TIP3 H1 HT 0.417000 1.0080 0 17552 WAT 688 TIP3 H2 HT 0.417000 1.0080 0 17553 WAT 689 TIP3 OH2 OT -0.834000 15.9994 0 17554 WAT 689 TIP3 H1 HT 0.417000 1.0080 0 17555 WAT 689 TIP3 H2 HT 0.417000 1.0080 0 17556 WAT 690 TIP3 OH2 OT -0.834000 15.9994 0 17557 WAT 690 TIP3 H1 HT 0.417000 1.0080 0 17558 WAT 690 TIP3 H2 HT 0.417000 1.0080 0 17559 WAT 691 TIP3 OH2 OT -0.834000 15.9994 0 17560 WAT 691 TIP3 H1 HT 0.417000 1.0080 0 17561 WAT 691 TIP3 H2 HT 0.417000 1.0080 0 17562 WAT 692 TIP3 OH2 OT -0.834000 15.9994 0 17563 WAT 692 TIP3 H1 HT 0.417000 1.0080 0 17564 WAT 692 TIP3 H2 HT 0.417000 1.0080 0 17565 WAT 693 TIP3 OH2 OT -0.834000 15.9994 0 17566 WAT 693 TIP3 H1 HT 0.417000 1.0080 0 17567 WAT 693 TIP3 H2 HT 0.417000 1.0080 0 17568 WAT 694 TIP3 OH2 OT -0.834000 15.9994 0 17569 WAT 694 TIP3 H1 HT 0.417000 1.0080 0 17570 WAT 694 TIP3 H2 HT 0.417000 1.0080 0 17571 WAT 695 TIP3 OH2 OT -0.834000 15.9994 0 17572 WAT 695 TIP3 H1 HT 0.417000 1.0080 0 17573 WAT 695 TIP3 H2 HT 0.417000 1.0080 0 17574 WAT 696 TIP3 OH2 OT -0.834000 15.9994 0 17575 WAT 696 TIP3 H1 HT 0.417000 1.0080 0 17576 WAT 696 TIP3 H2 HT 0.417000 1.0080 0 17577 WAT 697 TIP3 OH2 OT -0.834000 15.9994 0 17578 WAT 697 TIP3 H1 HT 0.417000 1.0080 0 17579 WAT 697 TIP3 H2 HT 0.417000 1.0080 0 17580 WAT 698 TIP3 OH2 OT -0.834000 15.9994 0 17581 WAT 698 TIP3 H1 HT 0.417000 1.0080 0 17582 WAT 698 TIP3 H2 HT 0.417000 1.0080 0 17583 WAT 699 TIP3 OH2 OT -0.834000 15.9994 0 17584 WAT 699 TIP3 H1 HT 0.417000 1.0080 0 17585 WAT 699 TIP3 H2 HT 0.417000 1.0080 0 17586 WAT 700 TIP3 OH2 OT -0.834000 15.9994 0 17587 WAT 700 TIP3 H1 HT 0.417000 1.0080 0 17588 WAT 700 TIP3 H2 HT 0.417000 1.0080 0 17589 WAT 701 TIP3 OH2 OT -0.834000 15.9994 0 17590 WAT 701 TIP3 H1 HT 0.417000 1.0080 0 17591 WAT 701 TIP3 H2 HT 0.417000 1.0080 0 17592 WAT 702 TIP3 OH2 OT -0.834000 15.9994 0 17593 WAT 702 TIP3 H1 HT 0.417000 1.0080 0 17594 WAT 702 TIP3 H2 HT 0.417000 1.0080 0 17595 WAT 703 TIP3 OH2 OT -0.834000 15.9994 0 17596 WAT 703 TIP3 H1 HT 0.417000 1.0080 0 17597 WAT 703 TIP3 H2 HT 0.417000 1.0080 0 17598 WAT 704 TIP3 OH2 OT -0.834000 15.9994 0 17599 WAT 704 TIP3 H1 HT 0.417000 1.0080 0 17600 WAT 704 TIP3 H2 HT 0.417000 1.0080 0 17601 WAT 705 TIP3 OH2 OT -0.834000 15.9994 0 17602 WAT 705 TIP3 H1 HT 0.417000 1.0080 0 17603 WAT 705 TIP3 H2 HT 0.417000 1.0080 0 17604 WAT 706 TIP3 OH2 OT -0.834000 15.9994 0 17605 WAT 706 TIP3 H1 HT 0.417000 1.0080 0 17606 WAT 706 TIP3 H2 HT 0.417000 1.0080 0 17607 WAT 707 TIP3 OH2 OT -0.834000 15.9994 0 17608 WAT 707 TIP3 H1 HT 0.417000 1.0080 0 17609 WAT 707 TIP3 H2 HT 0.417000 1.0080 0 17610 WAT 708 TIP3 OH2 OT -0.834000 15.9994 0 17611 WAT 708 TIP3 H1 HT 0.417000 1.0080 0 17612 WAT 708 TIP3 H2 HT 0.417000 1.0080 0 17613 WAT 709 TIP3 OH2 OT -0.834000 15.9994 0 17614 WAT 709 TIP3 H1 HT 0.417000 1.0080 0 17615 WAT 709 TIP3 H2 HT 0.417000 1.0080 0 17616 WAT 710 TIP3 OH2 OT -0.834000 15.9994 0 17617 WAT 710 TIP3 H1 HT 0.417000 1.0080 0 17618 WAT 710 TIP3 H2 HT 0.417000 1.0080 0 17619 WAT 711 TIP3 OH2 OT -0.834000 15.9994 0 17620 WAT 711 TIP3 H1 HT 0.417000 1.0080 0 17621 WAT 711 TIP3 H2 HT 0.417000 1.0080 0 17622 WAT 712 TIP3 OH2 OT -0.834000 15.9994 0 17623 WAT 712 TIP3 H1 HT 0.417000 1.0080 0 17624 WAT 712 TIP3 H2 HT 0.417000 1.0080 0 17625 WAT 713 TIP3 OH2 OT -0.834000 15.9994 0 17626 WAT 713 TIP3 H1 HT 0.417000 1.0080 0 17627 WAT 713 TIP3 H2 HT 0.417000 1.0080 0 17628 WAT 714 TIP3 OH2 OT -0.834000 15.9994 0 17629 WAT 714 TIP3 H1 HT 0.417000 1.0080 0 17630 WAT 714 TIP3 H2 HT 0.417000 1.0080 0 17631 WAT 715 TIP3 OH2 OT -0.834000 15.9994 0 17632 WAT 715 TIP3 H1 HT 0.417000 1.0080 0 17633 WAT 715 TIP3 H2 HT 0.417000 1.0080 0 17634 WAT 716 TIP3 OH2 OT -0.834000 15.9994 0 17635 WAT 716 TIP3 H1 HT 0.417000 1.0080 0 17636 WAT 716 TIP3 H2 HT 0.417000 1.0080 0 17637 WAT 717 TIP3 OH2 OT -0.834000 15.9994 0 17638 WAT 717 TIP3 H1 HT 0.417000 1.0080 0 17639 WAT 717 TIP3 H2 HT 0.417000 1.0080 0 17640 WAT 718 TIP3 OH2 OT -0.834000 15.9994 0 17641 WAT 718 TIP3 H1 HT 0.417000 1.0080 0 17642 WAT 718 TIP3 H2 HT 0.417000 1.0080 0 17643 WAT 719 TIP3 OH2 OT -0.834000 15.9994 0 17644 WAT 719 TIP3 H1 HT 0.417000 1.0080 0 17645 WAT 719 TIP3 H2 HT 0.417000 1.0080 0 17646 WAT 720 TIP3 OH2 OT -0.834000 15.9994 0 17647 WAT 720 TIP3 H1 HT 0.417000 1.0080 0 17648 WAT 720 TIP3 H2 HT 0.417000 1.0080 0 17649 WAT 721 TIP3 OH2 OT -0.834000 15.9994 0 17650 WAT 721 TIP3 H1 HT 0.417000 1.0080 0 17651 WAT 721 TIP3 H2 HT 0.417000 1.0080 0 17652 WAT 722 TIP3 OH2 OT -0.834000 15.9994 0 17653 WAT 722 TIP3 H1 HT 0.417000 1.0080 0 17654 WAT 722 TIP3 H2 HT 0.417000 1.0080 0 17655 WAT 723 TIP3 OH2 OT -0.834000 15.9994 0 17656 WAT 723 TIP3 H1 HT 0.417000 1.0080 0 17657 WAT 723 TIP3 H2 HT 0.417000 1.0080 0 17658 WAT 724 TIP3 OH2 OT -0.834000 15.9994 0 17659 WAT 724 TIP3 H1 HT 0.417000 1.0080 0 17660 WAT 724 TIP3 H2 HT 0.417000 1.0080 0 17661 WAT 725 TIP3 OH2 OT -0.834000 15.9994 0 17662 WAT 725 TIP3 H1 HT 0.417000 1.0080 0 17663 WAT 725 TIP3 H2 HT 0.417000 1.0080 0 17664 WAT 726 TIP3 OH2 OT -0.834000 15.9994 0 17665 WAT 726 TIP3 H1 HT 0.417000 1.0080 0 17666 WAT 726 TIP3 H2 HT 0.417000 1.0080 0 17667 WAT 727 TIP3 OH2 OT -0.834000 15.9994 0 17668 WAT 727 TIP3 H1 HT 0.417000 1.0080 0 17669 WAT 727 TIP3 H2 HT 0.417000 1.0080 0 17670 WAT 728 TIP3 OH2 OT -0.834000 15.9994 0 17671 WAT 728 TIP3 H1 HT 0.417000 1.0080 0 17672 WAT 728 TIP3 H2 HT 0.417000 1.0080 0 17673 WAT 729 TIP3 OH2 OT -0.834000 15.9994 0 17674 WAT 729 TIP3 H1 HT 0.417000 1.0080 0 17675 WAT 729 TIP3 H2 HT 0.417000 1.0080 0 17676 WAT 730 TIP3 OH2 OT -0.834000 15.9994 0 17677 WAT 730 TIP3 H1 HT 0.417000 1.0080 0 17678 WAT 730 TIP3 H2 HT 0.417000 1.0080 0 17679 WAT 731 TIP3 OH2 OT -0.834000 15.9994 0 17680 WAT 731 TIP3 H1 HT 0.417000 1.0080 0 17681 WAT 731 TIP3 H2 HT 0.417000 1.0080 0 17682 WAT 732 TIP3 OH2 OT -0.834000 15.9994 0 17683 WAT 732 TIP3 H1 HT 0.417000 1.0080 0 17684 WAT 732 TIP3 H2 HT 0.417000 1.0080 0 17685 WAT 733 TIP3 OH2 OT -0.834000 15.9994 0 17686 WAT 733 TIP3 H1 HT 0.417000 1.0080 0 17687 WAT 733 TIP3 H2 HT 0.417000 1.0080 0 17688 WAT 734 TIP3 OH2 OT -0.834000 15.9994 0 17689 WAT 734 TIP3 H1 HT 0.417000 1.0080 0 17690 WAT 734 TIP3 H2 HT 0.417000 1.0080 0 17691 WAT 735 TIP3 OH2 OT -0.834000 15.9994 0 17692 WAT 735 TIP3 H1 HT 0.417000 1.0080 0 17693 WAT 735 TIP3 H2 HT 0.417000 1.0080 0 17694 WAT 736 TIP3 OH2 OT -0.834000 15.9994 0 17695 WAT 736 TIP3 H1 HT 0.417000 1.0080 0 17696 WAT 736 TIP3 H2 HT 0.417000 1.0080 0 17697 WAT 737 TIP3 OH2 OT -0.834000 15.9994 0 17698 WAT 737 TIP3 H1 HT 0.417000 1.0080 0 17699 WAT 737 TIP3 H2 HT 0.417000 1.0080 0 17700 WAT 738 TIP3 OH2 OT -0.834000 15.9994 0 17701 WAT 738 TIP3 H1 HT 0.417000 1.0080 0 17702 WAT 738 TIP3 H2 HT 0.417000 1.0080 0 17703 WAT 739 TIP3 OH2 OT -0.834000 15.9994 0 17704 WAT 739 TIP3 H1 HT 0.417000 1.0080 0 17705 WAT 739 TIP3 H2 HT 0.417000 1.0080 0 17706 WAT 740 TIP3 OH2 OT -0.834000 15.9994 0 17707 WAT 740 TIP3 H1 HT 0.417000 1.0080 0 17708 WAT 740 TIP3 H2 HT 0.417000 1.0080 0 17709 WAT 741 TIP3 OH2 OT -0.834000 15.9994 0 17710 WAT 741 TIP3 H1 HT 0.417000 1.0080 0 17711 WAT 741 TIP3 H2 HT 0.417000 1.0080 0 17712 WAT 742 TIP3 OH2 OT -0.834000 15.9994 0 17713 WAT 742 TIP3 H1 HT 0.417000 1.0080 0 17714 WAT 742 TIP3 H2 HT 0.417000 1.0080 0 17715 WAT 743 TIP3 OH2 OT -0.834000 15.9994 0 17716 WAT 743 TIP3 H1 HT 0.417000 1.0080 0 17717 WAT 743 TIP3 H2 HT 0.417000 1.0080 0 17718 WAT 744 TIP3 OH2 OT -0.834000 15.9994 0 17719 WAT 744 TIP3 H1 HT 0.417000 1.0080 0 17720 WAT 744 TIP3 H2 HT 0.417000 1.0080 0 17721 WAT 745 TIP3 OH2 OT -0.834000 15.9994 0 17722 WAT 745 TIP3 H1 HT 0.417000 1.0080 0 17723 WAT 745 TIP3 H2 HT 0.417000 1.0080 0 17724 WAT 746 TIP3 OH2 OT -0.834000 15.9994 0 17725 WAT 746 TIP3 H1 HT 0.417000 1.0080 0 17726 WAT 746 TIP3 H2 HT 0.417000 1.0080 0 17727 WAT 747 TIP3 OH2 OT -0.834000 15.9994 0 17728 WAT 747 TIP3 H1 HT 0.417000 1.0080 0 17729 WAT 747 TIP3 H2 HT 0.417000 1.0080 0 17730 WAT 748 TIP3 OH2 OT -0.834000 15.9994 0 17731 WAT 748 TIP3 H1 HT 0.417000 1.0080 0 17732 WAT 748 TIP3 H2 HT 0.417000 1.0080 0 17733 WAT 749 TIP3 OH2 OT -0.834000 15.9994 0 17734 WAT 749 TIP3 H1 HT 0.417000 1.0080 0 17735 WAT 749 TIP3 H2 HT 0.417000 1.0080 0 17736 WAT 750 TIP3 OH2 OT -0.834000 15.9994 0 17737 WAT 750 TIP3 H1 HT 0.417000 1.0080 0 17738 WAT 750 TIP3 H2 HT 0.417000 1.0080 0 17739 WAT 751 TIP3 OH2 OT -0.834000 15.9994 0 17740 WAT 751 TIP3 H1 HT 0.417000 1.0080 0 17741 WAT 751 TIP3 H2 HT 0.417000 1.0080 0 17742 WAT 752 TIP3 OH2 OT -0.834000 15.9994 0 17743 WAT 752 TIP3 H1 HT 0.417000 1.0080 0 17744 WAT 752 TIP3 H2 HT 0.417000 1.0080 0 17745 WAT 753 TIP3 OH2 OT -0.834000 15.9994 0 17746 WAT 753 TIP3 H1 HT 0.417000 1.0080 0 17747 WAT 753 TIP3 H2 HT 0.417000 1.0080 0 17748 WAT 754 TIP3 OH2 OT -0.834000 15.9994 0 17749 WAT 754 TIP3 H1 HT 0.417000 1.0080 0 17750 WAT 754 TIP3 H2 HT 0.417000 1.0080 0 17751 WAT 755 TIP3 OH2 OT -0.834000 15.9994 0 17752 WAT 755 TIP3 H1 HT 0.417000 1.0080 0 17753 WAT 755 TIP3 H2 HT 0.417000 1.0080 0 17754 WAT 756 TIP3 OH2 OT -0.834000 15.9994 0 17755 WAT 756 TIP3 H1 HT 0.417000 1.0080 0 17756 WAT 756 TIP3 H2 HT 0.417000 1.0080 0 17757 WAT 757 TIP3 OH2 OT -0.834000 15.9994 0 17758 WAT 757 TIP3 H1 HT 0.417000 1.0080 0 17759 WAT 757 TIP3 H2 HT 0.417000 1.0080 0 17760 WAT 758 TIP3 OH2 OT -0.834000 15.9994 0 17761 WAT 758 TIP3 H1 HT 0.417000 1.0080 0 17762 WAT 758 TIP3 H2 HT 0.417000 1.0080 0 17763 WAT 759 TIP3 OH2 OT -0.834000 15.9994 0 17764 WAT 759 TIP3 H1 HT 0.417000 1.0080 0 17765 WAT 759 TIP3 H2 HT 0.417000 1.0080 0 17766 WAT 760 TIP3 OH2 OT -0.834000 15.9994 0 17767 WAT 760 TIP3 H1 HT 0.417000 1.0080 0 17768 WAT 760 TIP3 H2 HT 0.417000 1.0080 0 17769 WAT 761 TIP3 OH2 OT -0.834000 15.9994 0 17770 WAT 761 TIP3 H1 HT 0.417000 1.0080 0 17771 WAT 761 TIP3 H2 HT 0.417000 1.0080 0 17772 WAT 762 TIP3 OH2 OT -0.834000 15.9994 0 17773 WAT 762 TIP3 H1 HT 0.417000 1.0080 0 17774 WAT 762 TIP3 H2 HT 0.417000 1.0080 0 17775 WAT 763 TIP3 OH2 OT -0.834000 15.9994 0 17776 WAT 763 TIP3 H1 HT 0.417000 1.0080 0 17777 WAT 763 TIP3 H2 HT 0.417000 1.0080 0 17778 WAT 764 TIP3 OH2 OT -0.834000 15.9994 0 17779 WAT 764 TIP3 H1 HT 0.417000 1.0080 0 17780 WAT 764 TIP3 H2 HT 0.417000 1.0080 0 17781 WAT 765 TIP3 OH2 OT -0.834000 15.9994 0 17782 WAT 765 TIP3 H1 HT 0.417000 1.0080 0 17783 WAT 765 TIP3 H2 HT 0.417000 1.0080 0 17784 WAT 766 TIP3 OH2 OT -0.834000 15.9994 0 17785 WAT 766 TIP3 H1 HT 0.417000 1.0080 0 17786 WAT 766 TIP3 H2 HT 0.417000 1.0080 0 17787 WAT 767 TIP3 OH2 OT -0.834000 15.9994 0 17788 WAT 767 TIP3 H1 HT 0.417000 1.0080 0 17789 WAT 767 TIP3 H2 HT 0.417000 1.0080 0 17790 WAT 768 TIP3 OH2 OT -0.834000 15.9994 0 17791 WAT 768 TIP3 H1 HT 0.417000 1.0080 0 17792 WAT 768 TIP3 H2 HT 0.417000 1.0080 0 17793 WAT 769 TIP3 OH2 OT -0.834000 15.9994 0 17794 WAT 769 TIP3 H1 HT 0.417000 1.0080 0 17795 WAT 769 TIP3 H2 HT 0.417000 1.0080 0 17796 WAT 770 TIP3 OH2 OT -0.834000 15.9994 0 17797 WAT 770 TIP3 H1 HT 0.417000 1.0080 0 17798 WAT 770 TIP3 H2 HT 0.417000 1.0080 0 17799 WAT 771 TIP3 OH2 OT -0.834000 15.9994 0 17800 WAT 771 TIP3 H1 HT 0.417000 1.0080 0 17801 WAT 771 TIP3 H2 HT 0.417000 1.0080 0 17802 WAT 772 TIP3 OH2 OT -0.834000 15.9994 0 17803 WAT 772 TIP3 H1 HT 0.417000 1.0080 0 17804 WAT 772 TIP3 H2 HT 0.417000 1.0080 0 17805 WAT 773 TIP3 OH2 OT -0.834000 15.9994 0 17806 WAT 773 TIP3 H1 HT 0.417000 1.0080 0 17807 WAT 773 TIP3 H2 HT 0.417000 1.0080 0 17808 WAT 774 TIP3 OH2 OT -0.834000 15.9994 0 17809 WAT 774 TIP3 H1 HT 0.417000 1.0080 0 17810 WAT 774 TIP3 H2 HT 0.417000 1.0080 0 17811 WAT 775 TIP3 OH2 OT -0.834000 15.9994 0 17812 WAT 775 TIP3 H1 HT 0.417000 1.0080 0 17813 WAT 775 TIP3 H2 HT 0.417000 1.0080 0 17814 WAT 776 TIP3 OH2 OT -0.834000 15.9994 0 17815 WAT 776 TIP3 H1 HT 0.417000 1.0080 0 17816 WAT 776 TIP3 H2 HT 0.417000 1.0080 0 17817 WAT 777 TIP3 OH2 OT -0.834000 15.9994 0 17818 WAT 777 TIP3 H1 HT 0.417000 1.0080 0 17819 WAT 777 TIP3 H2 HT 0.417000 1.0080 0 17820 WAT 778 TIP3 OH2 OT -0.834000 15.9994 0 17821 WAT 778 TIP3 H1 HT 0.417000 1.0080 0 17822 WAT 778 TIP3 H2 HT 0.417000 1.0080 0 17823 WAT 779 TIP3 OH2 OT -0.834000 15.9994 0 17824 WAT 779 TIP3 H1 HT 0.417000 1.0080 0 17825 WAT 779 TIP3 H2 HT 0.417000 1.0080 0 17826 WAT 780 TIP3 OH2 OT -0.834000 15.9994 0 17827 WAT 780 TIP3 H1 HT 0.417000 1.0080 0 17828 WAT 780 TIP3 H2 HT 0.417000 1.0080 0 17829 WAT 781 TIP3 OH2 OT -0.834000 15.9994 0 17830 WAT 781 TIP3 H1 HT 0.417000 1.0080 0 17831 WAT 781 TIP3 H2 HT 0.417000 1.0080 0 17832 WAT 782 TIP3 OH2 OT -0.834000 15.9994 0 17833 WAT 782 TIP3 H1 HT 0.417000 1.0080 0 17834 WAT 782 TIP3 H2 HT 0.417000 1.0080 0 17835 WAT 783 TIP3 OH2 OT -0.834000 15.9994 0 17836 WAT 783 TIP3 H1 HT 0.417000 1.0080 0 17837 WAT 783 TIP3 H2 HT 0.417000 1.0080 0 17838 WAT 784 TIP3 OH2 OT -0.834000 15.9994 0 17839 WAT 784 TIP3 H1 HT 0.417000 1.0080 0 17840 WAT 784 TIP3 H2 HT 0.417000 1.0080 0 17841 WAT 785 TIP3 OH2 OT -0.834000 15.9994 0 17842 WAT 785 TIP3 H1 HT 0.417000 1.0080 0 17843 WAT 785 TIP3 H2 HT 0.417000 1.0080 0 17844 WAT 786 TIP3 OH2 OT -0.834000 15.9994 0 17845 WAT 786 TIP3 H1 HT 0.417000 1.0080 0 17846 WAT 786 TIP3 H2 HT 0.417000 1.0080 0 17847 WAT 787 TIP3 OH2 OT -0.834000 15.9994 0 17848 WAT 787 TIP3 H1 HT 0.417000 1.0080 0 17849 WAT 787 TIP3 H2 HT 0.417000 1.0080 0 17850 WAT 788 TIP3 OH2 OT -0.834000 15.9994 0 17851 WAT 788 TIP3 H1 HT 0.417000 1.0080 0 17852 WAT 788 TIP3 H2 HT 0.417000 1.0080 0 17853 WAT 789 TIP3 OH2 OT -0.834000 15.9994 0 17854 WAT 789 TIP3 H1 HT 0.417000 1.0080 0 17855 WAT 789 TIP3 H2 HT 0.417000 1.0080 0 17856 WAT 790 TIP3 OH2 OT -0.834000 15.9994 0 17857 WAT 790 TIP3 H1 HT 0.417000 1.0080 0 17858 WAT 790 TIP3 H2 HT 0.417000 1.0080 0 17859 WAT 791 TIP3 OH2 OT -0.834000 15.9994 0 17860 WAT 791 TIP3 H1 HT 0.417000 1.0080 0 17861 WAT 791 TIP3 H2 HT 0.417000 1.0080 0 17862 WAT 792 TIP3 OH2 OT -0.834000 15.9994 0 17863 WAT 792 TIP3 H1 HT 0.417000 1.0080 0 17864 WAT 792 TIP3 H2 HT 0.417000 1.0080 0 17865 WAT 793 TIP3 OH2 OT -0.834000 15.9994 0 17866 WAT 793 TIP3 H1 HT 0.417000 1.0080 0 17867 WAT 793 TIP3 H2 HT 0.417000 1.0080 0 17868 WAT 794 TIP3 OH2 OT -0.834000 15.9994 0 17869 WAT 794 TIP3 H1 HT 0.417000 1.0080 0 17870 WAT 794 TIP3 H2 HT 0.417000 1.0080 0 17871 WAT 795 TIP3 OH2 OT -0.834000 15.9994 0 17872 WAT 795 TIP3 H1 HT 0.417000 1.0080 0 17873 WAT 795 TIP3 H2 HT 0.417000 1.0080 0 17874 WAT 796 TIP3 OH2 OT -0.834000 15.9994 0 17875 WAT 796 TIP3 H1 HT 0.417000 1.0080 0 17876 WAT 796 TIP3 H2 HT 0.417000 1.0080 0 17877 WAT 797 TIP3 OH2 OT -0.834000 15.9994 0 17878 WAT 797 TIP3 H1 HT 0.417000 1.0080 0 17879 WAT 797 TIP3 H2 HT 0.417000 1.0080 0 17880 WAT 798 TIP3 OH2 OT -0.834000 15.9994 0 17881 WAT 798 TIP3 H1 HT 0.417000 1.0080 0 17882 WAT 798 TIP3 H2 HT 0.417000 1.0080 0 17883 WAT 799 TIP3 OH2 OT -0.834000 15.9994 0 17884 WAT 799 TIP3 H1 HT 0.417000 1.0080 0 17885 WAT 799 TIP3 H2 HT 0.417000 1.0080 0 17886 WAT 800 TIP3 OH2 OT -0.834000 15.9994 0 17887 WAT 800 TIP3 H1 HT 0.417000 1.0080 0 17888 WAT 800 TIP3 H2 HT 0.417000 1.0080 0 17889 WAT 801 TIP3 OH2 OT -0.834000 15.9994 0 17890 WAT 801 TIP3 H1 HT 0.417000 1.0080 0 17891 WAT 801 TIP3 H2 HT 0.417000 1.0080 0 17892 WAT 802 TIP3 OH2 OT -0.834000 15.9994 0 17893 WAT 802 TIP3 H1 HT 0.417000 1.0080 0 17894 WAT 802 TIP3 H2 HT 0.417000 1.0080 0 17895 WAT 803 TIP3 OH2 OT -0.834000 15.9994 0 17896 WAT 803 TIP3 H1 HT 0.417000 1.0080 0 17897 WAT 803 TIP3 H2 HT 0.417000 1.0080 0 17898 WAT 804 TIP3 OH2 OT -0.834000 15.9994 0 17899 WAT 804 TIP3 H1 HT 0.417000 1.0080 0 17900 WAT 804 TIP3 H2 HT 0.417000 1.0080 0 17901 WAT 805 TIP3 OH2 OT -0.834000 15.9994 0 17902 WAT 805 TIP3 H1 HT 0.417000 1.0080 0 17903 WAT 805 TIP3 H2 HT 0.417000 1.0080 0 17904 WAT 806 TIP3 OH2 OT -0.834000 15.9994 0 17905 WAT 806 TIP3 H1 HT 0.417000 1.0080 0 17906 WAT 806 TIP3 H2 HT 0.417000 1.0080 0 17907 WAT 807 TIP3 OH2 OT -0.834000 15.9994 0 17908 WAT 807 TIP3 H1 HT 0.417000 1.0080 0 17909 WAT 807 TIP3 H2 HT 0.417000 1.0080 0 17910 WAT 808 TIP3 OH2 OT -0.834000 15.9994 0 17911 WAT 808 TIP3 H1 HT 0.417000 1.0080 0 17912 WAT 808 TIP3 H2 HT 0.417000 1.0080 0 17913 WAT 809 TIP3 OH2 OT -0.834000 15.9994 0 17914 WAT 809 TIP3 H1 HT 0.417000 1.0080 0 17915 WAT 809 TIP3 H2 HT 0.417000 1.0080 0 17916 WAT 810 TIP3 OH2 OT -0.834000 15.9994 0 17917 WAT 810 TIP3 H1 HT 0.417000 1.0080 0 17918 WAT 810 TIP3 H2 HT 0.417000 1.0080 0 17919 WAT 811 TIP3 OH2 OT -0.834000 15.9994 0 17920 WAT 811 TIP3 H1 HT 0.417000 1.0080 0 17921 WAT 811 TIP3 H2 HT 0.417000 1.0080 0 17922 WAT 812 TIP3 OH2 OT -0.834000 15.9994 0 17923 WAT 812 TIP3 H1 HT 0.417000 1.0080 0 17924 WAT 812 TIP3 H2 HT 0.417000 1.0080 0 17925 WAT 813 TIP3 OH2 OT -0.834000 15.9994 0 17926 WAT 813 TIP3 H1 HT 0.417000 1.0080 0 17927 WAT 813 TIP3 H2 HT 0.417000 1.0080 0 17928 WAT 814 TIP3 OH2 OT -0.834000 15.9994 0 17929 WAT 814 TIP3 H1 HT 0.417000 1.0080 0 17930 WAT 814 TIP3 H2 HT 0.417000 1.0080 0 17931 WAT 815 TIP3 OH2 OT -0.834000 15.9994 0 17932 WAT 815 TIP3 H1 HT 0.417000 1.0080 0 17933 WAT 815 TIP3 H2 HT 0.417000 1.0080 0 17934 WAT 816 TIP3 OH2 OT -0.834000 15.9994 0 17935 WAT 816 TIP3 H1 HT 0.417000 1.0080 0 17936 WAT 816 TIP3 H2 HT 0.417000 1.0080 0 17937 WAT 817 TIP3 OH2 OT -0.834000 15.9994 0 17938 WAT 817 TIP3 H1 HT 0.417000 1.0080 0 17939 WAT 817 TIP3 H2 HT 0.417000 1.0080 0 17940 WAT 818 TIP3 OH2 OT -0.834000 15.9994 0 17941 WAT 818 TIP3 H1 HT 0.417000 1.0080 0 17942 WAT 818 TIP3 H2 HT 0.417000 1.0080 0 17943 WAT 819 TIP3 OH2 OT -0.834000 15.9994 0 17944 WAT 819 TIP3 H1 HT 0.417000 1.0080 0 17945 WAT 819 TIP3 H2 HT 0.417000 1.0080 0 17946 WAT 820 TIP3 OH2 OT -0.834000 15.9994 0 17947 WAT 820 TIP3 H1 HT 0.417000 1.0080 0 17948 WAT 820 TIP3 H2 HT 0.417000 1.0080 0 17949 WAT 821 TIP3 OH2 OT -0.834000 15.9994 0 17950 WAT 821 TIP3 H1 HT 0.417000 1.0080 0 17951 WAT 821 TIP3 H2 HT 0.417000 1.0080 0 17952 WAT 822 TIP3 OH2 OT -0.834000 15.9994 0 17953 WAT 822 TIP3 H1 HT 0.417000 1.0080 0 17954 WAT 822 TIP3 H2 HT 0.417000 1.0080 0 17955 WAT 823 TIP3 OH2 OT -0.834000 15.9994 0 17956 WAT 823 TIP3 H1 HT 0.417000 1.0080 0 17957 WAT 823 TIP3 H2 HT 0.417000 1.0080 0 17958 WAT 824 TIP3 OH2 OT -0.834000 15.9994 0 17959 WAT 824 TIP3 H1 HT 0.417000 1.0080 0 17960 WAT 824 TIP3 H2 HT 0.417000 1.0080 0 17961 WAT 825 TIP3 OH2 OT -0.834000 15.9994 0 17962 WAT 825 TIP3 H1 HT 0.417000 1.0080 0 17963 WAT 825 TIP3 H2 HT 0.417000 1.0080 0 17964 WAT 826 TIP3 OH2 OT -0.834000 15.9994 0 17965 WAT 826 TIP3 H1 HT 0.417000 1.0080 0 17966 WAT 826 TIP3 H2 HT 0.417000 1.0080 0 17967 WAT 827 TIP3 OH2 OT -0.834000 15.9994 0 17968 WAT 827 TIP3 H1 HT 0.417000 1.0080 0 17969 WAT 827 TIP3 H2 HT 0.417000 1.0080 0 17970 WAT 828 TIP3 OH2 OT -0.834000 15.9994 0 17971 WAT 828 TIP3 H1 HT 0.417000 1.0080 0 17972 WAT 828 TIP3 H2 HT 0.417000 1.0080 0 17973 WAT 829 TIP3 OH2 OT -0.834000 15.9994 0 17974 WAT 829 TIP3 H1 HT 0.417000 1.0080 0 17975 WAT 829 TIP3 H2 HT 0.417000 1.0080 0 17976 WAT 830 TIP3 OH2 OT -0.834000 15.9994 0 17977 WAT 830 TIP3 H1 HT 0.417000 1.0080 0 17978 WAT 830 TIP3 H2 HT 0.417000 1.0080 0 17979 WAT 831 TIP3 OH2 OT -0.834000 15.9994 0 17980 WAT 831 TIP3 H1 HT 0.417000 1.0080 0 17981 WAT 831 TIP3 H2 HT 0.417000 1.0080 0 17982 WAT 832 TIP3 OH2 OT -0.834000 15.9994 0 17983 WAT 832 TIP3 H1 HT 0.417000 1.0080 0 17984 WAT 832 TIP3 H2 HT 0.417000 1.0080 0 17985 WAT 833 TIP3 OH2 OT -0.834000 15.9994 0 17986 WAT 833 TIP3 H1 HT 0.417000 1.0080 0 17987 WAT 833 TIP3 H2 HT 0.417000 1.0080 0 17988 WAT 834 TIP3 OH2 OT -0.834000 15.9994 0 17989 WAT 834 TIP3 H1 HT 0.417000 1.0080 0 17990 WAT 834 TIP3 H2 HT 0.417000 1.0080 0 17991 WAT 835 TIP3 OH2 OT -0.834000 15.9994 0 17992 WAT 835 TIP3 H1 HT 0.417000 1.0080 0 17993 WAT 835 TIP3 H2 HT 0.417000 1.0080 0 17994 WAT 836 TIP3 OH2 OT -0.834000 15.9994 0 17995 WAT 836 TIP3 H1 HT 0.417000 1.0080 0 17996 WAT 836 TIP3 H2 HT 0.417000 1.0080 0 17997 WAT 837 TIP3 OH2 OT -0.834000 15.9994 0 17998 WAT 837 TIP3 H1 HT 0.417000 1.0080 0 17999 WAT 837 TIP3 H2 HT 0.417000 1.0080 0 18000 WAT 838 TIP3 OH2 OT -0.834000 15.9994 0 18001 WAT 838 TIP3 H1 HT 0.417000 1.0080 0 18002 WAT 838 TIP3 H2 HT 0.417000 1.0080 0 18003 WAT 839 TIP3 OH2 OT -0.834000 15.9994 0 18004 WAT 839 TIP3 H1 HT 0.417000 1.0080 0 18005 WAT 839 TIP3 H2 HT 0.417000 1.0080 0 18006 WAT 840 TIP3 OH2 OT -0.834000 15.9994 0 18007 WAT 840 TIP3 H1 HT 0.417000 1.0080 0 18008 WAT 840 TIP3 H2 HT 0.417000 1.0080 0 18009 WAT 841 TIP3 OH2 OT -0.834000 15.9994 0 18010 WAT 841 TIP3 H1 HT 0.417000 1.0080 0 18011 WAT 841 TIP3 H2 HT 0.417000 1.0080 0 18012 WAT 842 TIP3 OH2 OT -0.834000 15.9994 0 18013 WAT 842 TIP3 H1 HT 0.417000 1.0080 0 18014 WAT 842 TIP3 H2 HT 0.417000 1.0080 0 18015 WAT 843 TIP3 OH2 OT -0.834000 15.9994 0 18016 WAT 843 TIP3 H1 HT 0.417000 1.0080 0 18017 WAT 843 TIP3 H2 HT 0.417000 1.0080 0 18018 WAT 844 TIP3 OH2 OT -0.834000 15.9994 0 18019 WAT 844 TIP3 H1 HT 0.417000 1.0080 0 18020 WAT 844 TIP3 H2 HT 0.417000 1.0080 0 18021 WAT 845 TIP3 OH2 OT -0.834000 15.9994 0 18022 WAT 845 TIP3 H1 HT 0.417000 1.0080 0 18023 WAT 845 TIP3 H2 HT 0.417000 1.0080 0 18024 WAT 846 TIP3 OH2 OT -0.834000 15.9994 0 18025 WAT 846 TIP3 H1 HT 0.417000 1.0080 0 18026 WAT 846 TIP3 H2 HT 0.417000 1.0080 0 18027 WAT 847 TIP3 OH2 OT -0.834000 15.9994 0 18028 WAT 847 TIP3 H1 HT 0.417000 1.0080 0 18029 WAT 847 TIP3 H2 HT 0.417000 1.0080 0 18030 WAT 848 TIP3 OH2 OT -0.834000 15.9994 0 18031 WAT 848 TIP3 H1 HT 0.417000 1.0080 0 18032 WAT 848 TIP3 H2 HT 0.417000 1.0080 0 18033 WAT 849 TIP3 OH2 OT -0.834000 15.9994 0 18034 WAT 849 TIP3 H1 HT 0.417000 1.0080 0 18035 WAT 849 TIP3 H2 HT 0.417000 1.0080 0 18036 WAT 850 TIP3 OH2 OT -0.834000 15.9994 0 18037 WAT 850 TIP3 H1 HT 0.417000 1.0080 0 18038 WAT 850 TIP3 H2 HT 0.417000 1.0080 0 18039 WAT 851 TIP3 OH2 OT -0.834000 15.9994 0 18040 WAT 851 TIP3 H1 HT 0.417000 1.0080 0 18041 WAT 851 TIP3 H2 HT 0.417000 1.0080 0 18042 WAT 852 TIP3 OH2 OT -0.834000 15.9994 0 18043 WAT 852 TIP3 H1 HT 0.417000 1.0080 0 18044 WAT 852 TIP3 H2 HT 0.417000 1.0080 0 18045 WAT 853 TIP3 OH2 OT -0.834000 15.9994 0 18046 WAT 853 TIP3 H1 HT 0.417000 1.0080 0 18047 WAT 853 TIP3 H2 HT 0.417000 1.0080 0 18048 WAT 854 TIP3 OH2 OT -0.834000 15.9994 0 18049 WAT 854 TIP3 H1 HT 0.417000 1.0080 0 18050 WAT 854 TIP3 H2 HT 0.417000 1.0080 0 18051 WAT 855 TIP3 OH2 OT -0.834000 15.9994 0 18052 WAT 855 TIP3 H1 HT 0.417000 1.0080 0 18053 WAT 855 TIP3 H2 HT 0.417000 1.0080 0 18054 WAT 856 TIP3 OH2 OT -0.834000 15.9994 0 18055 WAT 856 TIP3 H1 HT 0.417000 1.0080 0 18056 WAT 856 TIP3 H2 HT 0.417000 1.0080 0 18057 WAT 857 TIP3 OH2 OT -0.834000 15.9994 0 18058 WAT 857 TIP3 H1 HT 0.417000 1.0080 0 18059 WAT 857 TIP3 H2 HT 0.417000 1.0080 0 18060 WAT 858 TIP3 OH2 OT -0.834000 15.9994 0 18061 WAT 858 TIP3 H1 HT 0.417000 1.0080 0 18062 WAT 858 TIP3 H2 HT 0.417000 1.0080 0 18063 WAT 859 TIP3 OH2 OT -0.834000 15.9994 0 18064 WAT 859 TIP3 H1 HT 0.417000 1.0080 0 18065 WAT 859 TIP3 H2 HT 0.417000 1.0080 0 18066 WAT 860 TIP3 OH2 OT -0.834000 15.9994 0 18067 WAT 860 TIP3 H1 HT 0.417000 1.0080 0 18068 WAT 860 TIP3 H2 HT 0.417000 1.0080 0 18069 WAT 861 TIP3 OH2 OT -0.834000 15.9994 0 18070 WAT 861 TIP3 H1 HT 0.417000 1.0080 0 18071 WAT 861 TIP3 H2 HT 0.417000 1.0080 0 18072 WAT 862 TIP3 OH2 OT -0.834000 15.9994 0 18073 WAT 862 TIP3 H1 HT 0.417000 1.0080 0 18074 WAT 862 TIP3 H2 HT 0.417000 1.0080 0 18075 WAT 863 TIP3 OH2 OT -0.834000 15.9994 0 18076 WAT 863 TIP3 H1 HT 0.417000 1.0080 0 18077 WAT 863 TIP3 H2 HT 0.417000 1.0080 0 18078 WAT 864 TIP3 OH2 OT -0.834000 15.9994 0 18079 WAT 864 TIP3 H1 HT 0.417000 1.0080 0 18080 WAT 864 TIP3 H2 HT 0.417000 1.0080 0 18081 WAT 865 TIP3 OH2 OT -0.834000 15.9994 0 18082 WAT 865 TIP3 H1 HT 0.417000 1.0080 0 18083 WAT 865 TIP3 H2 HT 0.417000 1.0080 0 18084 WAT 866 TIP3 OH2 OT -0.834000 15.9994 0 18085 WAT 866 TIP3 H1 HT 0.417000 1.0080 0 18086 WAT 866 TIP3 H2 HT 0.417000 1.0080 0 18087 WAT 867 TIP3 OH2 OT -0.834000 15.9994 0 18088 WAT 867 TIP3 H1 HT 0.417000 1.0080 0 18089 WAT 867 TIP3 H2 HT 0.417000 1.0080 0 18090 WAT 868 TIP3 OH2 OT -0.834000 15.9994 0 18091 WAT 868 TIP3 H1 HT 0.417000 1.0080 0 18092 WAT 868 TIP3 H2 HT 0.417000 1.0080 0 18093 WAT 869 TIP3 OH2 OT -0.834000 15.9994 0 18094 WAT 869 TIP3 H1 HT 0.417000 1.0080 0 18095 WAT 869 TIP3 H2 HT 0.417000 1.0080 0 18096 WAT 870 TIP3 OH2 OT -0.834000 15.9994 0 18097 WAT 870 TIP3 H1 HT 0.417000 1.0080 0 18098 WAT 870 TIP3 H2 HT 0.417000 1.0080 0 18099 WAT 871 TIP3 OH2 OT -0.834000 15.9994 0 18100 WAT 871 TIP3 H1 HT 0.417000 1.0080 0 18101 WAT 871 TIP3 H2 HT 0.417000 1.0080 0 18102 WAT 872 TIP3 OH2 OT -0.834000 15.9994 0 18103 WAT 872 TIP3 H1 HT 0.417000 1.0080 0 18104 WAT 872 TIP3 H2 HT 0.417000 1.0080 0 18105 WAT 873 TIP3 OH2 OT -0.834000 15.9994 0 18106 WAT 873 TIP3 H1 HT 0.417000 1.0080 0 18107 WAT 873 TIP3 H2 HT 0.417000 1.0080 0 18108 WAT 874 TIP3 OH2 OT -0.834000 15.9994 0 18109 WAT 874 TIP3 H1 HT 0.417000 1.0080 0 18110 WAT 874 TIP3 H2 HT 0.417000 1.0080 0 18111 WAT 875 TIP3 OH2 OT -0.834000 15.9994 0 18112 WAT 875 TIP3 H1 HT 0.417000 1.0080 0 18113 WAT 875 TIP3 H2 HT 0.417000 1.0080 0 18114 WAT 876 TIP3 OH2 OT -0.834000 15.9994 0 18115 WAT 876 TIP3 H1 HT 0.417000 1.0080 0 18116 WAT 876 TIP3 H2 HT 0.417000 1.0080 0 18117 WAT 877 TIP3 OH2 OT -0.834000 15.9994 0 18118 WAT 877 TIP3 H1 HT 0.417000 1.0080 0 18119 WAT 877 TIP3 H2 HT 0.417000 1.0080 0 18120 WAT 878 TIP3 OH2 OT -0.834000 15.9994 0 18121 WAT 878 TIP3 H1 HT 0.417000 1.0080 0 18122 WAT 878 TIP3 H2 HT 0.417000 1.0080 0 18123 WAT 879 TIP3 OH2 OT -0.834000 15.9994 0 18124 WAT 879 TIP3 H1 HT 0.417000 1.0080 0 18125 WAT 879 TIP3 H2 HT 0.417000 1.0080 0 18126 WAT 880 TIP3 OH2 OT -0.834000 15.9994 0 18127 WAT 880 TIP3 H1 HT 0.417000 1.0080 0 18128 WAT 880 TIP3 H2 HT 0.417000 1.0080 0 18129 WAT 881 TIP3 OH2 OT -0.834000 15.9994 0 18130 WAT 881 TIP3 H1 HT 0.417000 1.0080 0 18131 WAT 881 TIP3 H2 HT 0.417000 1.0080 0 18132 WAT 882 TIP3 OH2 OT -0.834000 15.9994 0 18133 WAT 882 TIP3 H1 HT 0.417000 1.0080 0 18134 WAT 882 TIP3 H2 HT 0.417000 1.0080 0 18135 WAT 883 TIP3 OH2 OT -0.834000 15.9994 0 18136 WAT 883 TIP3 H1 HT 0.417000 1.0080 0 18137 WAT 883 TIP3 H2 HT 0.417000 1.0080 0 18138 WAT 884 TIP3 OH2 OT -0.834000 15.9994 0 18139 WAT 884 TIP3 H1 HT 0.417000 1.0080 0 18140 WAT 884 TIP3 H2 HT 0.417000 1.0080 0 18141 WAT 885 TIP3 OH2 OT -0.834000 15.9994 0 18142 WAT 885 TIP3 H1 HT 0.417000 1.0080 0 18143 WAT 885 TIP3 H2 HT 0.417000 1.0080 0 18144 WAT 886 TIP3 OH2 OT -0.834000 15.9994 0 18145 WAT 886 TIP3 H1 HT 0.417000 1.0080 0 18146 WAT 886 TIP3 H2 HT 0.417000 1.0080 0 18147 WAT 887 TIP3 OH2 OT -0.834000 15.9994 0 18148 WAT 887 TIP3 H1 HT 0.417000 1.0080 0 18149 WAT 887 TIP3 H2 HT 0.417000 1.0080 0 18150 WAT 888 TIP3 OH2 OT -0.834000 15.9994 0 18151 WAT 888 TIP3 H1 HT 0.417000 1.0080 0 18152 WAT 888 TIP3 H2 HT 0.417000 1.0080 0 18153 WAT 889 TIP3 OH2 OT -0.834000 15.9994 0 18154 WAT 889 TIP3 H1 HT 0.417000 1.0080 0 18155 WAT 889 TIP3 H2 HT 0.417000 1.0080 0 18156 WAT 890 TIP3 OH2 OT -0.834000 15.9994 0 18157 WAT 890 TIP3 H1 HT 0.417000 1.0080 0 18158 WAT 890 TIP3 H2 HT 0.417000 1.0080 0 18159 WAT 891 TIP3 OH2 OT -0.834000 15.9994 0 18160 WAT 891 TIP3 H1 HT 0.417000 1.0080 0 18161 WAT 891 TIP3 H2 HT 0.417000 1.0080 0 18162 WAT 892 TIP3 OH2 OT -0.834000 15.9994 0 18163 WAT 892 TIP3 H1 HT 0.417000 1.0080 0 18164 WAT 892 TIP3 H2 HT 0.417000 1.0080 0 18165 WAT 893 TIP3 OH2 OT -0.834000 15.9994 0 18166 WAT 893 TIP3 H1 HT 0.417000 1.0080 0 18167 WAT 893 TIP3 H2 HT 0.417000 1.0080 0 18168 WAT 894 TIP3 OH2 OT -0.834000 15.9994 0 18169 WAT 894 TIP3 H1 HT 0.417000 1.0080 0 18170 WAT 894 TIP3 H2 HT 0.417000 1.0080 0 18171 WAT 895 TIP3 OH2 OT -0.834000 15.9994 0 18172 WAT 895 TIP3 H1 HT 0.417000 1.0080 0 18173 WAT 895 TIP3 H2 HT 0.417000 1.0080 0 18174 WAT 896 TIP3 OH2 OT -0.834000 15.9994 0 18175 WAT 896 TIP3 H1 HT 0.417000 1.0080 0 18176 WAT 896 TIP3 H2 HT 0.417000 1.0080 0 18177 WAT 897 TIP3 OH2 OT -0.834000 15.9994 0 18178 WAT 897 TIP3 H1 HT 0.417000 1.0080 0 18179 WAT 897 TIP3 H2 HT 0.417000 1.0080 0 18180 WAT 898 TIP3 OH2 OT -0.834000 15.9994 0 18181 WAT 898 TIP3 H1 HT 0.417000 1.0080 0 18182 WAT 898 TIP3 H2 HT 0.417000 1.0080 0 18183 WAT 899 TIP3 OH2 OT -0.834000 15.9994 0 18184 WAT 899 TIP3 H1 HT 0.417000 1.0080 0 18185 WAT 899 TIP3 H2 HT 0.417000 1.0080 0 18186 WAT 900 TIP3 OH2 OT -0.834000 15.9994 0 18187 WAT 900 TIP3 H1 HT 0.417000 1.0080 0 18188 WAT 900 TIP3 H2 HT 0.417000 1.0080 0 18189 WAT 901 TIP3 OH2 OT -0.834000 15.9994 0 18190 WAT 901 TIP3 H1 HT 0.417000 1.0080 0 18191 WAT 901 TIP3 H2 HT 0.417000 1.0080 0 18192 WAT 902 TIP3 OH2 OT -0.834000 15.9994 0 18193 WAT 902 TIP3 H1 HT 0.417000 1.0080 0 18194 WAT 902 TIP3 H2 HT 0.417000 1.0080 0 18195 WAT 903 TIP3 OH2 OT -0.834000 15.9994 0 18196 WAT 903 TIP3 H1 HT 0.417000 1.0080 0 18197 WAT 903 TIP3 H2 HT 0.417000 1.0080 0 18198 WAT 904 TIP3 OH2 OT -0.834000 15.9994 0 18199 WAT 904 TIP3 H1 HT 0.417000 1.0080 0 18200 WAT 904 TIP3 H2 HT 0.417000 1.0080 0 18201 WAT 905 TIP3 OH2 OT -0.834000 15.9994 0 18202 WAT 905 TIP3 H1 HT 0.417000 1.0080 0 18203 WAT 905 TIP3 H2 HT 0.417000 1.0080 0 18204 WAT 906 TIP3 OH2 OT -0.834000 15.9994 0 18205 WAT 906 TIP3 H1 HT 0.417000 1.0080 0 18206 WAT 906 TIP3 H2 HT 0.417000 1.0080 0 18207 WAT 907 TIP3 OH2 OT -0.834000 15.9994 0 18208 WAT 907 TIP3 H1 HT 0.417000 1.0080 0 18209 WAT 907 TIP3 H2 HT 0.417000 1.0080 0 18210 WAT 908 TIP3 OH2 OT -0.834000 15.9994 0 18211 WAT 908 TIP3 H1 HT 0.417000 1.0080 0 18212 WAT 908 TIP3 H2 HT 0.417000 1.0080 0 18213 WAT 909 TIP3 OH2 OT -0.834000 15.9994 0 18214 WAT 909 TIP3 H1 HT 0.417000 1.0080 0 18215 WAT 909 TIP3 H2 HT 0.417000 1.0080 0 18216 WAT 910 TIP3 OH2 OT -0.834000 15.9994 0 18217 WAT 910 TIP3 H1 HT 0.417000 1.0080 0 18218 WAT 910 TIP3 H2 HT 0.417000 1.0080 0 18219 WAT 911 TIP3 OH2 OT -0.834000 15.9994 0 18220 WAT 911 TIP3 H1 HT 0.417000 1.0080 0 18221 WAT 911 TIP3 H2 HT 0.417000 1.0080 0 18222 WAT 912 TIP3 OH2 OT -0.834000 15.9994 0 18223 WAT 912 TIP3 H1 HT 0.417000 1.0080 0 18224 WAT 912 TIP3 H2 HT 0.417000 1.0080 0 18225 WAT 913 TIP3 OH2 OT -0.834000 15.9994 0 18226 WAT 913 TIP3 H1 HT 0.417000 1.0080 0 18227 WAT 913 TIP3 H2 HT 0.417000 1.0080 0 18228 WAT 914 TIP3 OH2 OT -0.834000 15.9994 0 18229 WAT 914 TIP3 H1 HT 0.417000 1.0080 0 18230 WAT 914 TIP3 H2 HT 0.417000 1.0080 0 18231 WAT 915 TIP3 OH2 OT -0.834000 15.9994 0 18232 WAT 915 TIP3 H1 HT 0.417000 1.0080 0 18233 WAT 915 TIP3 H2 HT 0.417000 1.0080 0 18234 WAT 916 TIP3 OH2 OT -0.834000 15.9994 0 18235 WAT 916 TIP3 H1 HT 0.417000 1.0080 0 18236 WAT 916 TIP3 H2 HT 0.417000 1.0080 0 18237 WAT 917 TIP3 OH2 OT -0.834000 15.9994 0 18238 WAT 917 TIP3 H1 HT 0.417000 1.0080 0 18239 WAT 917 TIP3 H2 HT 0.417000 1.0080 0 18240 WAT 918 TIP3 OH2 OT -0.834000 15.9994 0 18241 WAT 918 TIP3 H1 HT 0.417000 1.0080 0 18242 WAT 918 TIP3 H2 HT 0.417000 1.0080 0 18243 WAT 919 TIP3 OH2 OT -0.834000 15.9994 0 18244 WAT 919 TIP3 H1 HT 0.417000 1.0080 0 18245 WAT 919 TIP3 H2 HT 0.417000 1.0080 0 18246 WAT 920 TIP3 OH2 OT -0.834000 15.9994 0 18247 WAT 920 TIP3 H1 HT 0.417000 1.0080 0 18248 WAT 920 TIP3 H2 HT 0.417000 1.0080 0 18249 WAT 921 TIP3 OH2 OT -0.834000 15.9994 0 18250 WAT 921 TIP3 H1 HT 0.417000 1.0080 0 18251 WAT 921 TIP3 H2 HT 0.417000 1.0080 0 18252 WAT 922 TIP3 OH2 OT -0.834000 15.9994 0 18253 WAT 922 TIP3 H1 HT 0.417000 1.0080 0 18254 WAT 922 TIP3 H2 HT 0.417000 1.0080 0 18255 WAT 923 TIP3 OH2 OT -0.834000 15.9994 0 18256 WAT 923 TIP3 H1 HT 0.417000 1.0080 0 18257 WAT 923 TIP3 H2 HT 0.417000 1.0080 0 18258 WAT 924 TIP3 OH2 OT -0.834000 15.9994 0 18259 WAT 924 TIP3 H1 HT 0.417000 1.0080 0 18260 WAT 924 TIP3 H2 HT 0.417000 1.0080 0 18261 WAT 925 TIP3 OH2 OT -0.834000 15.9994 0 18262 WAT 925 TIP3 H1 HT 0.417000 1.0080 0 18263 WAT 925 TIP3 H2 HT 0.417000 1.0080 0 18264 WAT 926 TIP3 OH2 OT -0.834000 15.9994 0 18265 WAT 926 TIP3 H1 HT 0.417000 1.0080 0 18266 WAT 926 TIP3 H2 HT 0.417000 1.0080 0 18267 WAT 927 TIP3 OH2 OT -0.834000 15.9994 0 18268 WAT 927 TIP3 H1 HT 0.417000 1.0080 0 18269 WAT 927 TIP3 H2 HT 0.417000 1.0080 0 18270 WAT 928 TIP3 OH2 OT -0.834000 15.9994 0 18271 WAT 928 TIP3 H1 HT 0.417000 1.0080 0 18272 WAT 928 TIP3 H2 HT 0.417000 1.0080 0 18273 WAT 929 TIP3 OH2 OT -0.834000 15.9994 0 18274 WAT 929 TIP3 H1 HT 0.417000 1.0080 0 18275 WAT 929 TIP3 H2 HT 0.417000 1.0080 0 18276 WAT 930 TIP3 OH2 OT -0.834000 15.9994 0 18277 WAT 930 TIP3 H1 HT 0.417000 1.0080 0 18278 WAT 930 TIP3 H2 HT 0.417000 1.0080 0 18279 WAT 931 TIP3 OH2 OT -0.834000 15.9994 0 18280 WAT 931 TIP3 H1 HT 0.417000 1.0080 0 18281 WAT 931 TIP3 H2 HT 0.417000 1.0080 0 18282 WAT 932 TIP3 OH2 OT -0.834000 15.9994 0 18283 WAT 932 TIP3 H1 HT 0.417000 1.0080 0 18284 WAT 932 TIP3 H2 HT 0.417000 1.0080 0 18285 WAT 933 TIP3 OH2 OT -0.834000 15.9994 0 18286 WAT 933 TIP3 H1 HT 0.417000 1.0080 0 18287 WAT 933 TIP3 H2 HT 0.417000 1.0080 0 18288 WAT 934 TIP3 OH2 OT -0.834000 15.9994 0 18289 WAT 934 TIP3 H1 HT 0.417000 1.0080 0 18290 WAT 934 TIP3 H2 HT 0.417000 1.0080 0 18291 WAT 935 TIP3 OH2 OT -0.834000 15.9994 0 18292 WAT 935 TIP3 H1 HT 0.417000 1.0080 0 18293 WAT 935 TIP3 H2 HT 0.417000 1.0080 0 18294 WAT 936 TIP3 OH2 OT -0.834000 15.9994 0 18295 WAT 936 TIP3 H1 HT 0.417000 1.0080 0 18296 WAT 936 TIP3 H2 HT 0.417000 1.0080 0 18297 WAT 937 TIP3 OH2 OT -0.834000 15.9994 0 18298 WAT 937 TIP3 H1 HT 0.417000 1.0080 0 18299 WAT 937 TIP3 H2 HT 0.417000 1.0080 0 18300 WAT 938 TIP3 OH2 OT -0.834000 15.9994 0 18301 WAT 938 TIP3 H1 HT 0.417000 1.0080 0 18302 WAT 938 TIP3 H2 HT 0.417000 1.0080 0 18303 WAT 939 TIP3 OH2 OT -0.834000 15.9994 0 18304 WAT 939 TIP3 H1 HT 0.417000 1.0080 0 18305 WAT 939 TIP3 H2 HT 0.417000 1.0080 0 18306 WAT 940 TIP3 OH2 OT -0.834000 15.9994 0 18307 WAT 940 TIP3 H1 HT 0.417000 1.0080 0 18308 WAT 940 TIP3 H2 HT 0.417000 1.0080 0 18309 WAT 941 TIP3 OH2 OT -0.834000 15.9994 0 18310 WAT 941 TIP3 H1 HT 0.417000 1.0080 0 18311 WAT 941 TIP3 H2 HT 0.417000 1.0080 0 18312 WAT 942 TIP3 OH2 OT -0.834000 15.9994 0 18313 WAT 942 TIP3 H1 HT 0.417000 1.0080 0 18314 WAT 942 TIP3 H2 HT 0.417000 1.0080 0 18315 WAT 943 TIP3 OH2 OT -0.834000 15.9994 0 18316 WAT 943 TIP3 H1 HT 0.417000 1.0080 0 18317 WAT 943 TIP3 H2 HT 0.417000 1.0080 0 18318 WAT 944 TIP3 OH2 OT -0.834000 15.9994 0 18319 WAT 944 TIP3 H1 HT 0.417000 1.0080 0 18320 WAT 944 TIP3 H2 HT 0.417000 1.0080 0 18321 WAT 945 TIP3 OH2 OT -0.834000 15.9994 0 18322 WAT 945 TIP3 H1 HT 0.417000 1.0080 0 18323 WAT 945 TIP3 H2 HT 0.417000 1.0080 0 18324 WAT 946 TIP3 OH2 OT -0.834000 15.9994 0 18325 WAT 946 TIP3 H1 HT 0.417000 1.0080 0 18326 WAT 946 TIP3 H2 HT 0.417000 1.0080 0 18327 WAT 947 TIP3 OH2 OT -0.834000 15.9994 0 18328 WAT 947 TIP3 H1 HT 0.417000 1.0080 0 18329 WAT 947 TIP3 H2 HT 0.417000 1.0080 0 18330 WAT 948 TIP3 OH2 OT -0.834000 15.9994 0 18331 WAT 948 TIP3 H1 HT 0.417000 1.0080 0 18332 WAT 948 TIP3 H2 HT 0.417000 1.0080 0 18333 WAT 949 TIP3 OH2 OT -0.834000 15.9994 0 18334 WAT 949 TIP3 H1 HT 0.417000 1.0080 0 18335 WAT 949 TIP3 H2 HT 0.417000 1.0080 0 18336 WAT 950 TIP3 OH2 OT -0.834000 15.9994 0 18337 WAT 950 TIP3 H1 HT 0.417000 1.0080 0 18338 WAT 950 TIP3 H2 HT 0.417000 1.0080 0 18339 WAT 951 TIP3 OH2 OT -0.834000 15.9994 0 18340 WAT 951 TIP3 H1 HT 0.417000 1.0080 0 18341 WAT 951 TIP3 H2 HT 0.417000 1.0080 0 18342 WAT 952 TIP3 OH2 OT -0.834000 15.9994 0 18343 WAT 952 TIP3 H1 HT 0.417000 1.0080 0 18344 WAT 952 TIP3 H2 HT 0.417000 1.0080 0 18345 WAT 953 TIP3 OH2 OT -0.834000 15.9994 0 18346 WAT 953 TIP3 H1 HT 0.417000 1.0080 0 18347 WAT 953 TIP3 H2 HT 0.417000 1.0080 0 18348 WAT 954 TIP3 OH2 OT -0.834000 15.9994 0 18349 WAT 954 TIP3 H1 HT 0.417000 1.0080 0 18350 WAT 954 TIP3 H2 HT 0.417000 1.0080 0 18351 WAT 955 TIP3 OH2 OT -0.834000 15.9994 0 18352 WAT 955 TIP3 H1 HT 0.417000 1.0080 0 18353 WAT 955 TIP3 H2 HT 0.417000 1.0080 0 18354 WAT 956 TIP3 OH2 OT -0.834000 15.9994 0 18355 WAT 956 TIP3 H1 HT 0.417000 1.0080 0 18356 WAT 956 TIP3 H2 HT 0.417000 1.0080 0 18357 WAT 957 TIP3 OH2 OT -0.834000 15.9994 0 18358 WAT 957 TIP3 H1 HT 0.417000 1.0080 0 18359 WAT 957 TIP3 H2 HT 0.417000 1.0080 0 18360 WAT 958 TIP3 OH2 OT -0.834000 15.9994 0 18361 WAT 958 TIP3 H1 HT 0.417000 1.0080 0 18362 WAT 958 TIP3 H2 HT 0.417000 1.0080 0 18363 WAT 959 TIP3 OH2 OT -0.834000 15.9994 0 18364 WAT 959 TIP3 H1 HT 0.417000 1.0080 0 18365 WAT 959 TIP3 H2 HT 0.417000 1.0080 0 18366 WAT 960 TIP3 OH2 OT -0.834000 15.9994 0 18367 WAT 960 TIP3 H1 HT 0.417000 1.0080 0 18368 WAT 960 TIP3 H2 HT 0.417000 1.0080 0 18369 WAT 961 TIP3 OH2 OT -0.834000 15.9994 0 18370 WAT 961 TIP3 H1 HT 0.417000 1.0080 0 18371 WAT 961 TIP3 H2 HT 0.417000 1.0080 0 18372 WAT 962 TIP3 OH2 OT -0.834000 15.9994 0 18373 WAT 962 TIP3 H1 HT 0.417000 1.0080 0 18374 WAT 962 TIP3 H2 HT 0.417000 1.0080 0 18375 WAT 963 TIP3 OH2 OT -0.834000 15.9994 0 18376 WAT 963 TIP3 H1 HT 0.417000 1.0080 0 18377 WAT 963 TIP3 H2 HT 0.417000 1.0080 0 18378 WAT 964 TIP3 OH2 OT -0.834000 15.9994 0 18379 WAT 964 TIP3 H1 HT 0.417000 1.0080 0 18380 WAT 964 TIP3 H2 HT 0.417000 1.0080 0 18381 WAT 965 TIP3 OH2 OT -0.834000 15.9994 0 18382 WAT 965 TIP3 H1 HT 0.417000 1.0080 0 18383 WAT 965 TIP3 H2 HT 0.417000 1.0080 0 18384 WAT 966 TIP3 OH2 OT -0.834000 15.9994 0 18385 WAT 966 TIP3 H1 HT 0.417000 1.0080 0 18386 WAT 966 TIP3 H2 HT 0.417000 1.0080 0 18387 WAT 967 TIP3 OH2 OT -0.834000 15.9994 0 18388 WAT 967 TIP3 H1 HT 0.417000 1.0080 0 18389 WAT 967 TIP3 H2 HT 0.417000 1.0080 0 18390 WAT 968 TIP3 OH2 OT -0.834000 15.9994 0 18391 WAT 968 TIP3 H1 HT 0.417000 1.0080 0 18392 WAT 968 TIP3 H2 HT 0.417000 1.0080 0 18393 WAT 969 TIP3 OH2 OT -0.834000 15.9994 0 18394 WAT 969 TIP3 H1 HT 0.417000 1.0080 0 18395 WAT 969 TIP3 H2 HT 0.417000 1.0080 0 18396 WAT 970 TIP3 OH2 OT -0.834000 15.9994 0 18397 WAT 970 TIP3 H1 HT 0.417000 1.0080 0 18398 WAT 970 TIP3 H2 HT 0.417000 1.0080 0 18399 WAT 971 TIP3 OH2 OT -0.834000 15.9994 0 18400 WAT 971 TIP3 H1 HT 0.417000 1.0080 0 18401 WAT 971 TIP3 H2 HT 0.417000 1.0080 0 18402 WAT 972 TIP3 OH2 OT -0.834000 15.9994 0 18403 WAT 972 TIP3 H1 HT 0.417000 1.0080 0 18404 WAT 972 TIP3 H2 HT 0.417000 1.0080 0 18405 WAT 973 TIP3 OH2 OT -0.834000 15.9994 0 18406 WAT 973 TIP3 H1 HT 0.417000 1.0080 0 18407 WAT 973 TIP3 H2 HT 0.417000 1.0080 0 18408 WAT 974 TIP3 OH2 OT -0.834000 15.9994 0 18409 WAT 974 TIP3 H1 HT 0.417000 1.0080 0 18410 WAT 974 TIP3 H2 HT 0.417000 1.0080 0 18411 WAT 975 TIP3 OH2 OT -0.834000 15.9994 0 18412 WAT 975 TIP3 H1 HT 0.417000 1.0080 0 18413 WAT 975 TIP3 H2 HT 0.417000 1.0080 0 18414 WAT 976 TIP3 OH2 OT -0.834000 15.9994 0 18415 WAT 976 TIP3 H1 HT 0.417000 1.0080 0 18416 WAT 976 TIP3 H2 HT 0.417000 1.0080 0 18417 WAT 977 TIP3 OH2 OT -0.834000 15.9994 0 18418 WAT 977 TIP3 H1 HT 0.417000 1.0080 0 18419 WAT 977 TIP3 H2 HT 0.417000 1.0080 0 18420 WAT 978 TIP3 OH2 OT -0.834000 15.9994 0 18421 WAT 978 TIP3 H1 HT 0.417000 1.0080 0 18422 WAT 978 TIP3 H2 HT 0.417000 1.0080 0 18423 WAT 979 TIP3 OH2 OT -0.834000 15.9994 0 18424 WAT 979 TIP3 H1 HT 0.417000 1.0080 0 18425 WAT 979 TIP3 H2 HT 0.417000 1.0080 0 18426 WAT 980 TIP3 OH2 OT -0.834000 15.9994 0 18427 WAT 980 TIP3 H1 HT 0.417000 1.0080 0 18428 WAT 980 TIP3 H2 HT 0.417000 1.0080 0 18429 WAT 981 TIP3 OH2 OT -0.834000 15.9994 0 18430 WAT 981 TIP3 H1 HT 0.417000 1.0080 0 18431 WAT 981 TIP3 H2 HT 0.417000 1.0080 0 18432 WAT 982 TIP3 OH2 OT -0.834000 15.9994 0 18433 WAT 982 TIP3 H1 HT 0.417000 1.0080 0 18434 WAT 982 TIP3 H2 HT 0.417000 1.0080 0 18435 WAT 983 TIP3 OH2 OT -0.834000 15.9994 0 18436 WAT 983 TIP3 H1 HT 0.417000 1.0080 0 18437 WAT 983 TIP3 H2 HT 0.417000 1.0080 0 18438 WAT 984 TIP3 OH2 OT -0.834000 15.9994 0 18439 WAT 984 TIP3 H1 HT 0.417000 1.0080 0 18440 WAT 984 TIP3 H2 HT 0.417000 1.0080 0 18441 WAT 985 TIP3 OH2 OT -0.834000 15.9994 0 18442 WAT 985 TIP3 H1 HT 0.417000 1.0080 0 18443 WAT 985 TIP3 H2 HT 0.417000 1.0080 0 18444 WAT 986 TIP3 OH2 OT -0.834000 15.9994 0 18445 WAT 986 TIP3 H1 HT 0.417000 1.0080 0 18446 WAT 986 TIP3 H2 HT 0.417000 1.0080 0 18447 WAT 987 TIP3 OH2 OT -0.834000 15.9994 0 18448 WAT 987 TIP3 H1 HT 0.417000 1.0080 0 18449 WAT 987 TIP3 H2 HT 0.417000 1.0080 0 18450 WAT 988 TIP3 OH2 OT -0.834000 15.9994 0 18451 WAT 988 TIP3 H1 HT 0.417000 1.0080 0 18452 WAT 988 TIP3 H2 HT 0.417000 1.0080 0 18453 WAT 989 TIP3 OH2 OT -0.834000 15.9994 0 18454 WAT 989 TIP3 H1 HT 0.417000 1.0080 0 18455 WAT 989 TIP3 H2 HT 0.417000 1.0080 0 18456 WAT 990 TIP3 OH2 OT -0.834000 15.9994 0 18457 WAT 990 TIP3 H1 HT 0.417000 1.0080 0 18458 WAT 990 TIP3 H2 HT 0.417000 1.0080 0 18459 WAT 991 TIP3 OH2 OT -0.834000 15.9994 0 18460 WAT 991 TIP3 H1 HT 0.417000 1.0080 0 18461 WAT 991 TIP3 H2 HT 0.417000 1.0080 0 18462 WAT 992 TIP3 OH2 OT -0.834000 15.9994 0 18463 WAT 992 TIP3 H1 HT 0.417000 1.0080 0 18464 WAT 992 TIP3 H2 HT 0.417000 1.0080 0 18465 WAT 993 TIP3 OH2 OT -0.834000 15.9994 0 18466 WAT 993 TIP3 H1 HT 0.417000 1.0080 0 18467 WAT 993 TIP3 H2 HT 0.417000 1.0080 0 18468 WAT 994 TIP3 OH2 OT -0.834000 15.9994 0 18469 WAT 994 TIP3 H1 HT 0.417000 1.0080 0 18470 WAT 994 TIP3 H2 HT 0.417000 1.0080 0 18471 WAT 995 TIP3 OH2 OT -0.834000 15.9994 0 18472 WAT 995 TIP3 H1 HT 0.417000 1.0080 0 18473 WAT 995 TIP3 H2 HT 0.417000 1.0080 0 18474 WAT 996 TIP3 OH2 OT -0.834000 15.9994 0 18475 WAT 996 TIP3 H1 HT 0.417000 1.0080 0 18476 WAT 996 TIP3 H2 HT 0.417000 1.0080 0 18477 WAT 997 TIP3 OH2 OT -0.834000 15.9994 0 18478 WAT 997 TIP3 H1 HT 0.417000 1.0080 0 18479 WAT 997 TIP3 H2 HT 0.417000 1.0080 0 18480 WAT 998 TIP3 OH2 OT -0.834000 15.9994 0 18481 WAT 998 TIP3 H1 HT 0.417000 1.0080 0 18482 WAT 998 TIP3 H2 HT 0.417000 1.0080 0 18483 WAT 999 TIP3 OH2 OT -0.834000 15.9994 0 18484 WAT 999 TIP3 H1 HT 0.417000 1.0080 0 18485 WAT 999 TIP3 H2 HT 0.417000 1.0080 0 18486 WAT 1000 TIP3 OH2 OT -0.834000 15.9994 0 18487 WAT 1000 TIP3 H1 HT 0.417000 1.0080 0 18488 WAT 1000 TIP3 H2 HT 0.417000 1.0080 0 18489 WAT 1001 TIP3 OH2 OT -0.834000 15.9994 0 18490 WAT 1001 TIP3 H1 HT 0.417000 1.0080 0 18491 WAT 1001 TIP3 H2 HT 0.417000 1.0080 0 18492 WAT 1002 TIP3 OH2 OT -0.834000 15.9994 0 18493 WAT 1002 TIP3 H1 HT 0.417000 1.0080 0 18494 WAT 1002 TIP3 H2 HT 0.417000 1.0080 0 18495 WAT 1003 TIP3 OH2 OT -0.834000 15.9994 0 18496 WAT 1003 TIP3 H1 HT 0.417000 1.0080 0 18497 WAT 1003 TIP3 H2 HT 0.417000 1.0080 0 18498 WAT 1004 TIP3 OH2 OT -0.834000 15.9994 0 18499 WAT 1004 TIP3 H1 HT 0.417000 1.0080 0 18500 WAT 1004 TIP3 H2 HT 0.417000 1.0080 0 18501 WAT 1005 TIP3 OH2 OT -0.834000 15.9994 0 18502 WAT 1005 TIP3 H1 HT 0.417000 1.0080 0 18503 WAT 1005 TIP3 H2 HT 0.417000 1.0080 0 18504 WAT 1006 TIP3 OH2 OT -0.834000 15.9994 0 18505 WAT 1006 TIP3 H1 HT 0.417000 1.0080 0 18506 WAT 1006 TIP3 H2 HT 0.417000 1.0080 0 18507 WAT 1007 TIP3 OH2 OT -0.834000 15.9994 0 18508 WAT 1007 TIP3 H1 HT 0.417000 1.0080 0 18509 WAT 1007 TIP3 H2 HT 0.417000 1.0080 0 18510 WAT 1008 TIP3 OH2 OT -0.834000 15.9994 0 18511 WAT 1008 TIP3 H1 HT 0.417000 1.0080 0 18512 WAT 1008 TIP3 H2 HT 0.417000 1.0080 0 18513 WAT 1009 TIP3 OH2 OT -0.834000 15.9994 0 18514 WAT 1009 TIP3 H1 HT 0.417000 1.0080 0 18515 WAT 1009 TIP3 H2 HT 0.417000 1.0080 0 18516 WAT 1010 TIP3 OH2 OT -0.834000 15.9994 0 18517 WAT 1010 TIP3 H1 HT 0.417000 1.0080 0 18518 WAT 1010 TIP3 H2 HT 0.417000 1.0080 0 18519 WAT 1011 TIP3 OH2 OT -0.834000 15.9994 0 18520 WAT 1011 TIP3 H1 HT 0.417000 1.0080 0 18521 WAT 1011 TIP3 H2 HT 0.417000 1.0080 0 18522 WAT 1012 TIP3 OH2 OT -0.834000 15.9994 0 18523 WAT 1012 TIP3 H1 HT 0.417000 1.0080 0 18524 WAT 1012 TIP3 H2 HT 0.417000 1.0080 0 18525 WAT 1013 TIP3 OH2 OT -0.834000 15.9994 0 18526 WAT 1013 TIP3 H1 HT 0.417000 1.0080 0 18527 WAT 1013 TIP3 H2 HT 0.417000 1.0080 0 18528 WAT 1014 TIP3 OH2 OT -0.834000 15.9994 0 18529 WAT 1014 TIP3 H1 HT 0.417000 1.0080 0 18530 WAT 1014 TIP3 H2 HT 0.417000 1.0080 0 18531 WAT 1015 TIP3 OH2 OT -0.834000 15.9994 0 18532 WAT 1015 TIP3 H1 HT 0.417000 1.0080 0 18533 WAT 1015 TIP3 H2 HT 0.417000 1.0080 0 18534 WAT 1016 TIP3 OH2 OT -0.834000 15.9994 0 18535 WAT 1016 TIP3 H1 HT 0.417000 1.0080 0 18536 WAT 1016 TIP3 H2 HT 0.417000 1.0080 0 18537 WAT 1017 TIP3 OH2 OT -0.834000 15.9994 0 18538 WAT 1017 TIP3 H1 HT 0.417000 1.0080 0 18539 WAT 1017 TIP3 H2 HT 0.417000 1.0080 0 18540 WAT 1018 TIP3 OH2 OT -0.834000 15.9994 0 18541 WAT 1018 TIP3 H1 HT 0.417000 1.0080 0 18542 WAT 1018 TIP3 H2 HT 0.417000 1.0080 0 18543 WAT 1019 TIP3 OH2 OT -0.834000 15.9994 0 18544 WAT 1019 TIP3 H1 HT 0.417000 1.0080 0 18545 WAT 1019 TIP3 H2 HT 0.417000 1.0080 0 18546 WAT 1020 TIP3 OH2 OT -0.834000 15.9994 0 18547 WAT 1020 TIP3 H1 HT 0.417000 1.0080 0 18548 WAT 1020 TIP3 H2 HT 0.417000 1.0080 0 18549 WAT 1021 TIP3 OH2 OT -0.834000 15.9994 0 18550 WAT 1021 TIP3 H1 HT 0.417000 1.0080 0 18551 WAT 1021 TIP3 H2 HT 0.417000 1.0080 0 18552 WAT 1022 TIP3 OH2 OT -0.834000 15.9994 0 18553 WAT 1022 TIP3 H1 HT 0.417000 1.0080 0 18554 WAT 1022 TIP3 H2 HT 0.417000 1.0080 0 18555 WAT 1023 TIP3 OH2 OT -0.834000 15.9994 0 18556 WAT 1023 TIP3 H1 HT 0.417000 1.0080 0 18557 WAT 1023 TIP3 H2 HT 0.417000 1.0080 0 18558 WAT 1024 TIP3 OH2 OT -0.834000 15.9994 0 18559 WAT 1024 TIP3 H1 HT 0.417000 1.0080 0 18560 WAT 1024 TIP3 H2 HT 0.417000 1.0080 0 18561 WAT 1025 TIP3 OH2 OT -0.834000 15.9994 0 18562 WAT 1025 TIP3 H1 HT 0.417000 1.0080 0 18563 WAT 1025 TIP3 H2 HT 0.417000 1.0080 0 18564 WAT 1026 TIP3 OH2 OT -0.834000 15.9994 0 18565 WAT 1026 TIP3 H1 HT 0.417000 1.0080 0 18566 WAT 1026 TIP3 H2 HT 0.417000 1.0080 0 18567 WAT 1027 TIP3 OH2 OT -0.834000 15.9994 0 18568 WAT 1027 TIP3 H1 HT 0.417000 1.0080 0 18569 WAT 1027 TIP3 H2 HT 0.417000 1.0080 0 18570 WAT 1028 TIP3 OH2 OT -0.834000 15.9994 0 18571 WAT 1028 TIP3 H1 HT 0.417000 1.0080 0 18572 WAT 1028 TIP3 H2 HT 0.417000 1.0080 0 18573 WAT 1029 TIP3 OH2 OT -0.834000 15.9994 0 18574 WAT 1029 TIP3 H1 HT 0.417000 1.0080 0 18575 WAT 1029 TIP3 H2 HT 0.417000 1.0080 0 18576 WAT 1030 TIP3 OH2 OT -0.834000 15.9994 0 18577 WAT 1030 TIP3 H1 HT 0.417000 1.0080 0 18578 WAT 1030 TIP3 H2 HT 0.417000 1.0080 0 18579 WAT 1031 TIP3 OH2 OT -0.834000 15.9994 0 18580 WAT 1031 TIP3 H1 HT 0.417000 1.0080 0 18581 WAT 1031 TIP3 H2 HT 0.417000 1.0080 0 18582 WAT 1032 TIP3 OH2 OT -0.834000 15.9994 0 18583 WAT 1032 TIP3 H1 HT 0.417000 1.0080 0 18584 WAT 1032 TIP3 H2 HT 0.417000 1.0080 0 18585 WAT 1033 TIP3 OH2 OT -0.834000 15.9994 0 18586 WAT 1033 TIP3 H1 HT 0.417000 1.0080 0 18587 WAT 1033 TIP3 H2 HT 0.417000 1.0080 0 18588 WAT 1034 TIP3 OH2 OT -0.834000 15.9994 0 18589 WAT 1034 TIP3 H1 HT 0.417000 1.0080 0 18590 WAT 1034 TIP3 H2 HT 0.417000 1.0080 0 18591 WAT 1035 TIP3 OH2 OT -0.834000 15.9994 0 18592 WAT 1035 TIP3 H1 HT 0.417000 1.0080 0 18593 WAT 1035 TIP3 H2 HT 0.417000 1.0080 0 18594 WAT 1036 TIP3 OH2 OT -0.834000 15.9994 0 18595 WAT 1036 TIP3 H1 HT 0.417000 1.0080 0 18596 WAT 1036 TIP3 H2 HT 0.417000 1.0080 0 18597 WAT 1037 TIP3 OH2 OT -0.834000 15.9994 0 18598 WAT 1037 TIP3 H1 HT 0.417000 1.0080 0 18599 WAT 1037 TIP3 H2 HT 0.417000 1.0080 0 18600 WAT 1038 TIP3 OH2 OT -0.834000 15.9994 0 18601 WAT 1038 TIP3 H1 HT 0.417000 1.0080 0 18602 WAT 1038 TIP3 H2 HT 0.417000 1.0080 0 18603 WAT 1039 TIP3 OH2 OT -0.834000 15.9994 0 18604 WAT 1039 TIP3 H1 HT 0.417000 1.0080 0 18605 WAT 1039 TIP3 H2 HT 0.417000 1.0080 0 18606 WAT 1040 TIP3 OH2 OT -0.834000 15.9994 0 18607 WAT 1040 TIP3 H1 HT 0.417000 1.0080 0 18608 WAT 1040 TIP3 H2 HT 0.417000 1.0080 0 18609 WAT 1041 TIP3 OH2 OT -0.834000 15.9994 0 18610 WAT 1041 TIP3 H1 HT 0.417000 1.0080 0 18611 WAT 1041 TIP3 H2 HT 0.417000 1.0080 0 18612 WAT 1042 TIP3 OH2 OT -0.834000 15.9994 0 18613 WAT 1042 TIP3 H1 HT 0.417000 1.0080 0 18614 WAT 1042 TIP3 H2 HT 0.417000 1.0080 0 18615 WAT 1043 TIP3 OH2 OT -0.834000 15.9994 0 18616 WAT 1043 TIP3 H1 HT 0.417000 1.0080 0 18617 WAT 1043 TIP3 H2 HT 0.417000 1.0080 0 18618 WAT 1044 TIP3 OH2 OT -0.834000 15.9994 0 18619 WAT 1044 TIP3 H1 HT 0.417000 1.0080 0 18620 WAT 1044 TIP3 H2 HT 0.417000 1.0080 0 18621 WAT 1045 TIP3 OH2 OT -0.834000 15.9994 0 18622 WAT 1045 TIP3 H1 HT 0.417000 1.0080 0 18623 WAT 1045 TIP3 H2 HT 0.417000 1.0080 0 18624 WAT 1046 TIP3 OH2 OT -0.834000 15.9994 0 18625 WAT 1046 TIP3 H1 HT 0.417000 1.0080 0 18626 WAT 1046 TIP3 H2 HT 0.417000 1.0080 0 18627 WAT 1047 TIP3 OH2 OT -0.834000 15.9994 0 18628 WAT 1047 TIP3 H1 HT 0.417000 1.0080 0 18629 WAT 1047 TIP3 H2 HT 0.417000 1.0080 0 18630 WAT 1048 TIP3 OH2 OT -0.834000 15.9994 0 18631 WAT 1048 TIP3 H1 HT 0.417000 1.0080 0 18632 WAT 1048 TIP3 H2 HT 0.417000 1.0080 0 18633 WAT 1049 TIP3 OH2 OT -0.834000 15.9994 0 18634 WAT 1049 TIP3 H1 HT 0.417000 1.0080 0 18635 WAT 1049 TIP3 H2 HT 0.417000 1.0080 0 18636 WAT 1050 TIP3 OH2 OT -0.834000 15.9994 0 18637 WAT 1050 TIP3 H1 HT 0.417000 1.0080 0 18638 WAT 1050 TIP3 H2 HT 0.417000 1.0080 0 18639 WAT 1051 TIP3 OH2 OT -0.834000 15.9994 0 18640 WAT 1051 TIP3 H1 HT 0.417000 1.0080 0 18641 WAT 1051 TIP3 H2 HT 0.417000 1.0080 0 18642 WAT 1052 TIP3 OH2 OT -0.834000 15.9994 0 18643 WAT 1052 TIP3 H1 HT 0.417000 1.0080 0 18644 WAT 1052 TIP3 H2 HT 0.417000 1.0080 0 18645 WAT 1053 TIP3 OH2 OT -0.834000 15.9994 0 18646 WAT 1053 TIP3 H1 HT 0.417000 1.0080 0 18647 WAT 1053 TIP3 H2 HT 0.417000 1.0080 0 18648 WAT 1054 TIP3 OH2 OT -0.834000 15.9994 0 18649 WAT 1054 TIP3 H1 HT 0.417000 1.0080 0 18650 WAT 1054 TIP3 H2 HT 0.417000 1.0080 0 18651 WAT 1055 TIP3 OH2 OT -0.834000 15.9994 0 18652 WAT 1055 TIP3 H1 HT 0.417000 1.0080 0 18653 WAT 1055 TIP3 H2 HT 0.417000 1.0080 0 18654 WAT 1056 TIP3 OH2 OT -0.834000 15.9994 0 18655 WAT 1056 TIP3 H1 HT 0.417000 1.0080 0 18656 WAT 1056 TIP3 H2 HT 0.417000 1.0080 0 18657 WAT 1057 TIP3 OH2 OT -0.834000 15.9994 0 18658 WAT 1057 TIP3 H1 HT 0.417000 1.0080 0 18659 WAT 1057 TIP3 H2 HT 0.417000 1.0080 0 18660 WAT 1058 TIP3 OH2 OT -0.834000 15.9994 0 18661 WAT 1058 TIP3 H1 HT 0.417000 1.0080 0 18662 WAT 1058 TIP3 H2 HT 0.417000 1.0080 0 18663 WAT 1059 TIP3 OH2 OT -0.834000 15.9994 0 18664 WAT 1059 TIP3 H1 HT 0.417000 1.0080 0 18665 WAT 1059 TIP3 H2 HT 0.417000 1.0080 0 18666 WAT 1060 TIP3 OH2 OT -0.834000 15.9994 0 18667 WAT 1060 TIP3 H1 HT 0.417000 1.0080 0 18668 WAT 1060 TIP3 H2 HT 0.417000 1.0080 0 18669 WAT 1061 TIP3 OH2 OT -0.834000 15.9994 0 18670 WAT 1061 TIP3 H1 HT 0.417000 1.0080 0 18671 WAT 1061 TIP3 H2 HT 0.417000 1.0080 0 18672 WAT 1062 TIP3 OH2 OT -0.834000 15.9994 0 18673 WAT 1062 TIP3 H1 HT 0.417000 1.0080 0 18674 WAT 1062 TIP3 H2 HT 0.417000 1.0080 0 18675 WAT 1063 TIP3 OH2 OT -0.834000 15.9994 0 18676 WAT 1063 TIP3 H1 HT 0.417000 1.0080 0 18677 WAT 1063 TIP3 H2 HT 0.417000 1.0080 0 18678 WAT 1064 TIP3 OH2 OT -0.834000 15.9994 0 18679 WAT 1064 TIP3 H1 HT 0.417000 1.0080 0 18680 WAT 1064 TIP3 H2 HT 0.417000 1.0080 0 18681 WAT 1065 TIP3 OH2 OT -0.834000 15.9994 0 18682 WAT 1065 TIP3 H1 HT 0.417000 1.0080 0 18683 WAT 1065 TIP3 H2 HT 0.417000 1.0080 0 18684 WAT 1066 TIP3 OH2 OT -0.834000 15.9994 0 18685 WAT 1066 TIP3 H1 HT 0.417000 1.0080 0 18686 WAT 1066 TIP3 H2 HT 0.417000 1.0080 0 18687 WAT 1067 TIP3 OH2 OT -0.834000 15.9994 0 18688 WAT 1067 TIP3 H1 HT 0.417000 1.0080 0 18689 WAT 1067 TIP3 H2 HT 0.417000 1.0080 0 18690 WAT 1068 TIP3 OH2 OT -0.834000 15.9994 0 18691 WAT 1068 TIP3 H1 HT 0.417000 1.0080 0 18692 WAT 1068 TIP3 H2 HT 0.417000 1.0080 0 18693 WAT 1069 TIP3 OH2 OT -0.834000 15.9994 0 18694 WAT 1069 TIP3 H1 HT 0.417000 1.0080 0 18695 WAT 1069 TIP3 H2 HT 0.417000 1.0080 0 18696 WAT 1070 TIP3 OH2 OT -0.834000 15.9994 0 18697 WAT 1070 TIP3 H1 HT 0.417000 1.0080 0 18698 WAT 1070 TIP3 H2 HT 0.417000 1.0080 0 18699 WAT 1071 TIP3 OH2 OT -0.834000 15.9994 0 18700 WAT 1071 TIP3 H1 HT 0.417000 1.0080 0 18701 WAT 1071 TIP3 H2 HT 0.417000 1.0080 0 18702 WAT 1072 TIP3 OH2 OT -0.834000 15.9994 0 18703 WAT 1072 TIP3 H1 HT 0.417000 1.0080 0 18704 WAT 1072 TIP3 H2 HT 0.417000 1.0080 0 18705 WAT 1073 TIP3 OH2 OT -0.834000 15.9994 0 18706 WAT 1073 TIP3 H1 HT 0.417000 1.0080 0 18707 WAT 1073 TIP3 H2 HT 0.417000 1.0080 0 18708 WAT 1074 TIP3 OH2 OT -0.834000 15.9994 0 18709 WAT 1074 TIP3 H1 HT 0.417000 1.0080 0 18710 WAT 1074 TIP3 H2 HT 0.417000 1.0080 0 18711 WAT 1075 TIP3 OH2 OT -0.834000 15.9994 0 18712 WAT 1075 TIP3 H1 HT 0.417000 1.0080 0 18713 WAT 1075 TIP3 H2 HT 0.417000 1.0080 0 18714 WAT 1076 TIP3 OH2 OT -0.834000 15.9994 0 18715 WAT 1076 TIP3 H1 HT 0.417000 1.0080 0 18716 WAT 1076 TIP3 H2 HT 0.417000 1.0080 0 18717 WAT 1077 TIP3 OH2 OT -0.834000 15.9994 0 18718 WAT 1077 TIP3 H1 HT 0.417000 1.0080 0 18719 WAT 1077 TIP3 H2 HT 0.417000 1.0080 0 18720 WAT 1078 TIP3 OH2 OT -0.834000 15.9994 0 18721 WAT 1078 TIP3 H1 HT 0.417000 1.0080 0 18722 WAT 1078 TIP3 H2 HT 0.417000 1.0080 0 18723 WAT 1079 TIP3 OH2 OT -0.834000 15.9994 0 18724 WAT 1079 TIP3 H1 HT 0.417000 1.0080 0 18725 WAT 1079 TIP3 H2 HT 0.417000 1.0080 0 18726 WAT 1080 TIP3 OH2 OT -0.834000 15.9994 0 18727 WAT 1080 TIP3 H1 HT 0.417000 1.0080 0 18728 WAT 1080 TIP3 H2 HT 0.417000 1.0080 0 18729 WAT 1081 TIP3 OH2 OT -0.834000 15.9994 0 18730 WAT 1081 TIP3 H1 HT 0.417000 1.0080 0 18731 WAT 1081 TIP3 H2 HT 0.417000 1.0080 0 18732 WAT 1082 TIP3 OH2 OT -0.834000 15.9994 0 18733 WAT 1082 TIP3 H1 HT 0.417000 1.0080 0 18734 WAT 1082 TIP3 H2 HT 0.417000 1.0080 0 18735 WAT 1083 TIP3 OH2 OT -0.834000 15.9994 0 18736 WAT 1083 TIP3 H1 HT 0.417000 1.0080 0 18737 WAT 1083 TIP3 H2 HT 0.417000 1.0080 0 18738 WAT 1084 TIP3 OH2 OT -0.834000 15.9994 0 18739 WAT 1084 TIP3 H1 HT 0.417000 1.0080 0 18740 WAT 1084 TIP3 H2 HT 0.417000 1.0080 0 18741 WAT 1085 TIP3 OH2 OT -0.834000 15.9994 0 18742 WAT 1085 TIP3 H1 HT 0.417000 1.0080 0 18743 WAT 1085 TIP3 H2 HT 0.417000 1.0080 0 18744 WAT 1086 TIP3 OH2 OT -0.834000 15.9994 0 18745 WAT 1086 TIP3 H1 HT 0.417000 1.0080 0 18746 WAT 1086 TIP3 H2 HT 0.417000 1.0080 0 18747 WAT 1087 TIP3 OH2 OT -0.834000 15.9994 0 18748 WAT 1087 TIP3 H1 HT 0.417000 1.0080 0 18749 WAT 1087 TIP3 H2 HT 0.417000 1.0080 0 18750 WAT 1088 TIP3 OH2 OT -0.834000 15.9994 0 18751 WAT 1088 TIP3 H1 HT 0.417000 1.0080 0 18752 WAT 1088 TIP3 H2 HT 0.417000 1.0080 0 18753 WAT 1089 TIP3 OH2 OT -0.834000 15.9994 0 18754 WAT 1089 TIP3 H1 HT 0.417000 1.0080 0 18755 WAT 1089 TIP3 H2 HT 0.417000 1.0080 0 18756 WAT 1090 TIP3 OH2 OT -0.834000 15.9994 0 18757 WAT 1090 TIP3 H1 HT 0.417000 1.0080 0 18758 WAT 1090 TIP3 H2 HT 0.417000 1.0080 0 18759 WAT 1091 TIP3 OH2 OT -0.834000 15.9994 0 18760 WAT 1091 TIP3 H1 HT 0.417000 1.0080 0 18761 WAT 1091 TIP3 H2 HT 0.417000 1.0080 0 18762 WAT 1092 TIP3 OH2 OT -0.834000 15.9994 0 18763 WAT 1092 TIP3 H1 HT 0.417000 1.0080 0 18764 WAT 1092 TIP3 H2 HT 0.417000 1.0080 0 18765 WAT 1093 TIP3 OH2 OT -0.834000 15.9994 0 18766 WAT 1093 TIP3 H1 HT 0.417000 1.0080 0 18767 WAT 1093 TIP3 H2 HT 0.417000 1.0080 0 18768 WAT 1094 TIP3 OH2 OT -0.834000 15.9994 0 18769 WAT 1094 TIP3 H1 HT 0.417000 1.0080 0 18770 WAT 1094 TIP3 H2 HT 0.417000 1.0080 0 18771 WAT 1095 TIP3 OH2 OT -0.834000 15.9994 0 18772 WAT 1095 TIP3 H1 HT 0.417000 1.0080 0 18773 WAT 1095 TIP3 H2 HT 0.417000 1.0080 0 18774 WAT 1096 TIP3 OH2 OT -0.834000 15.9994 0 18775 WAT 1096 TIP3 H1 HT 0.417000 1.0080 0 18776 WAT 1096 TIP3 H2 HT 0.417000 1.0080 0 18777 WAT 1097 TIP3 OH2 OT -0.834000 15.9994 0 18778 WAT 1097 TIP3 H1 HT 0.417000 1.0080 0 18779 WAT 1097 TIP3 H2 HT 0.417000 1.0080 0 18780 WAT 1098 TIP3 OH2 OT -0.834000 15.9994 0 18781 WAT 1098 TIP3 H1 HT 0.417000 1.0080 0 18782 WAT 1098 TIP3 H2 HT 0.417000 1.0080 0 18783 WAT 1099 TIP3 OH2 OT -0.834000 15.9994 0 18784 WAT 1099 TIP3 H1 HT 0.417000 1.0080 0 18785 WAT 1099 TIP3 H2 HT 0.417000 1.0080 0 18786 WAT 1100 TIP3 OH2 OT -0.834000 15.9994 0 18787 WAT 1100 TIP3 H1 HT 0.417000 1.0080 0 18788 WAT 1100 TIP3 H2 HT 0.417000 1.0080 0 18789 WAT 1101 TIP3 OH2 OT -0.834000 15.9994 0 18790 WAT 1101 TIP3 H1 HT 0.417000 1.0080 0 18791 WAT 1101 TIP3 H2 HT 0.417000 1.0080 0 18792 WAT 1102 TIP3 OH2 OT -0.834000 15.9994 0 18793 WAT 1102 TIP3 H1 HT 0.417000 1.0080 0 18794 WAT 1102 TIP3 H2 HT 0.417000 1.0080 0 18795 WAT 1103 TIP3 OH2 OT -0.834000 15.9994 0 18796 WAT 1103 TIP3 H1 HT 0.417000 1.0080 0 18797 WAT 1103 TIP3 H2 HT 0.417000 1.0080 0 18798 WAT 1104 TIP3 OH2 OT -0.834000 15.9994 0 18799 WAT 1104 TIP3 H1 HT 0.417000 1.0080 0 18800 WAT 1104 TIP3 H2 HT 0.417000 1.0080 0 18801 WAT 1105 TIP3 OH2 OT -0.834000 15.9994 0 18802 WAT 1105 TIP3 H1 HT 0.417000 1.0080 0 18803 WAT 1105 TIP3 H2 HT 0.417000 1.0080 0 18804 WAT 1106 TIP3 OH2 OT -0.834000 15.9994 0 18805 WAT 1106 TIP3 H1 HT 0.417000 1.0080 0 18806 WAT 1106 TIP3 H2 HT 0.417000 1.0080 0 18807 WAT 1107 TIP3 OH2 OT -0.834000 15.9994 0 18808 WAT 1107 TIP3 H1 HT 0.417000 1.0080 0 18809 WAT 1107 TIP3 H2 HT 0.417000 1.0080 0 18810 WAT 1108 TIP3 OH2 OT -0.834000 15.9994 0 18811 WAT 1108 TIP3 H1 HT 0.417000 1.0080 0 18812 WAT 1108 TIP3 H2 HT 0.417000 1.0080 0 18813 WAT 1109 TIP3 OH2 OT -0.834000 15.9994 0 18814 WAT 1109 TIP3 H1 HT 0.417000 1.0080 0 18815 WAT 1109 TIP3 H2 HT 0.417000 1.0080 0 18816 WAT 1110 TIP3 OH2 OT -0.834000 15.9994 0 18817 WAT 1110 TIP3 H1 HT 0.417000 1.0080 0 18818 WAT 1110 TIP3 H2 HT 0.417000 1.0080 0 18819 WAT 1111 TIP3 OH2 OT -0.834000 15.9994 0 18820 WAT 1111 TIP3 H1 HT 0.417000 1.0080 0 18821 WAT 1111 TIP3 H2 HT 0.417000 1.0080 0 18822 WAT 1112 TIP3 OH2 OT -0.834000 15.9994 0 18823 WAT 1112 TIP3 H1 HT 0.417000 1.0080 0 18824 WAT 1112 TIP3 H2 HT 0.417000 1.0080 0 18825 WAT 1113 TIP3 OH2 OT -0.834000 15.9994 0 18826 WAT 1113 TIP3 H1 HT 0.417000 1.0080 0 18827 WAT 1113 TIP3 H2 HT 0.417000 1.0080 0 18828 WAT 1114 TIP3 OH2 OT -0.834000 15.9994 0 18829 WAT 1114 TIP3 H1 HT 0.417000 1.0080 0 18830 WAT 1114 TIP3 H2 HT 0.417000 1.0080 0 18831 WAT 1115 TIP3 OH2 OT -0.834000 15.9994 0 18832 WAT 1115 TIP3 H1 HT 0.417000 1.0080 0 18833 WAT 1115 TIP3 H2 HT 0.417000 1.0080 0 18834 WAT 1116 TIP3 OH2 OT -0.834000 15.9994 0 18835 WAT 1116 TIP3 H1 HT 0.417000 1.0080 0 18836 WAT 1116 TIP3 H2 HT 0.417000 1.0080 0 18837 WAT 1117 TIP3 OH2 OT -0.834000 15.9994 0 18838 WAT 1117 TIP3 H1 HT 0.417000 1.0080 0 18839 WAT 1117 TIP3 H2 HT 0.417000 1.0080 0 18840 WAT 1118 TIP3 OH2 OT -0.834000 15.9994 0 18841 WAT 1118 TIP3 H1 HT 0.417000 1.0080 0 18842 WAT 1118 TIP3 H2 HT 0.417000 1.0080 0 18843 WAT 1119 TIP3 OH2 OT -0.834000 15.9994 0 18844 WAT 1119 TIP3 H1 HT 0.417000 1.0080 0 18845 WAT 1119 TIP3 H2 HT 0.417000 1.0080 0 18846 WAT 1120 TIP3 OH2 OT -0.834000 15.9994 0 18847 WAT 1120 TIP3 H1 HT 0.417000 1.0080 0 18848 WAT 1120 TIP3 H2 HT 0.417000 1.0080 0 18849 WAT 1121 TIP3 OH2 OT -0.834000 15.9994 0 18850 WAT 1121 TIP3 H1 HT 0.417000 1.0080 0 18851 WAT 1121 TIP3 H2 HT 0.417000 1.0080 0 18852 WAT 1122 TIP3 OH2 OT -0.834000 15.9994 0 18853 WAT 1122 TIP3 H1 HT 0.417000 1.0080 0 18854 WAT 1122 TIP3 H2 HT 0.417000 1.0080 0 18855 WAT 1123 TIP3 OH2 OT -0.834000 15.9994 0 18856 WAT 1123 TIP3 H1 HT 0.417000 1.0080 0 18857 WAT 1123 TIP3 H2 HT 0.417000 1.0080 0 18858 WAT 1124 TIP3 OH2 OT -0.834000 15.9994 0 18859 WAT 1124 TIP3 H1 HT 0.417000 1.0080 0 18860 WAT 1124 TIP3 H2 HT 0.417000 1.0080 0 18861 WAT 1125 TIP3 OH2 OT -0.834000 15.9994 0 18862 WAT 1125 TIP3 H1 HT 0.417000 1.0080 0 18863 WAT 1125 TIP3 H2 HT 0.417000 1.0080 0 18864 WAT 1126 TIP3 OH2 OT -0.834000 15.9994 0 18865 WAT 1126 TIP3 H1 HT 0.417000 1.0080 0 18866 WAT 1126 TIP3 H2 HT 0.417000 1.0080 0 18867 WAT 1127 TIP3 OH2 OT -0.834000 15.9994 0 18868 WAT 1127 TIP3 H1 HT 0.417000 1.0080 0 18869 WAT 1127 TIP3 H2 HT 0.417000 1.0080 0 18870 WAT 1128 TIP3 OH2 OT -0.834000 15.9994 0 18871 WAT 1128 TIP3 H1 HT 0.417000 1.0080 0 18872 WAT 1128 TIP3 H2 HT 0.417000 1.0080 0 18873 WAT 1129 TIP3 OH2 OT -0.834000 15.9994 0 18874 WAT 1129 TIP3 H1 HT 0.417000 1.0080 0 18875 WAT 1129 TIP3 H2 HT 0.417000 1.0080 0 18876 WAT 1130 TIP3 OH2 OT -0.834000 15.9994 0 18877 WAT 1130 TIP3 H1 HT 0.417000 1.0080 0 18878 WAT 1130 TIP3 H2 HT 0.417000 1.0080 0 18879 WAT 1131 TIP3 OH2 OT -0.834000 15.9994 0 18880 WAT 1131 TIP3 H1 HT 0.417000 1.0080 0 18881 WAT 1131 TIP3 H2 HT 0.417000 1.0080 0 18882 WAT 1132 TIP3 OH2 OT -0.834000 15.9994 0 18883 WAT 1132 TIP3 H1 HT 0.417000 1.0080 0 18884 WAT 1132 TIP3 H2 HT 0.417000 1.0080 0 18885 WAT 1133 TIP3 OH2 OT -0.834000 15.9994 0 18886 WAT 1133 TIP3 H1 HT 0.417000 1.0080 0 18887 WAT 1133 TIP3 H2 HT 0.417000 1.0080 0 18888 WAT 1134 TIP3 OH2 OT -0.834000 15.9994 0 18889 WAT 1134 TIP3 H1 HT 0.417000 1.0080 0 18890 WAT 1134 TIP3 H2 HT 0.417000 1.0080 0 18891 WAT 1135 TIP3 OH2 OT -0.834000 15.9994 0 18892 WAT 1135 TIP3 H1 HT 0.417000 1.0080 0 18893 WAT 1135 TIP3 H2 HT 0.417000 1.0080 0 18894 WAT 1136 TIP3 OH2 OT -0.834000 15.9994 0 18895 WAT 1136 TIP3 H1 HT 0.417000 1.0080 0 18896 WAT 1136 TIP3 H2 HT 0.417000 1.0080 0 18897 WAT 1137 TIP3 OH2 OT -0.834000 15.9994 0 18898 WAT 1137 TIP3 H1 HT 0.417000 1.0080 0 18899 WAT 1137 TIP3 H2 HT 0.417000 1.0080 0 18900 WAT 1138 TIP3 OH2 OT -0.834000 15.9994 0 18901 WAT 1138 TIP3 H1 HT 0.417000 1.0080 0 18902 WAT 1138 TIP3 H2 HT 0.417000 1.0080 0 18903 WAT 1139 TIP3 OH2 OT -0.834000 15.9994 0 18904 WAT 1139 TIP3 H1 HT 0.417000 1.0080 0 18905 WAT 1139 TIP3 H2 HT 0.417000 1.0080 0 18906 WAT 1140 TIP3 OH2 OT -0.834000 15.9994 0 18907 WAT 1140 TIP3 H1 HT 0.417000 1.0080 0 18908 WAT 1140 TIP3 H2 HT 0.417000 1.0080 0 18909 WAT 1141 TIP3 OH2 OT -0.834000 15.9994 0 18910 WAT 1141 TIP3 H1 HT 0.417000 1.0080 0 18911 WAT 1141 TIP3 H2 HT 0.417000 1.0080 0 18912 WAT 1142 TIP3 OH2 OT -0.834000 15.9994 0 18913 WAT 1142 TIP3 H1 HT 0.417000 1.0080 0 18914 WAT 1142 TIP3 H2 HT 0.417000 1.0080 0 18915 WAT 1143 TIP3 OH2 OT -0.834000 15.9994 0 18916 WAT 1143 TIP3 H1 HT 0.417000 1.0080 0 18917 WAT 1143 TIP3 H2 HT 0.417000 1.0080 0 18918 WAT 1144 TIP3 OH2 OT -0.834000 15.9994 0 18919 WAT 1144 TIP3 H1 HT 0.417000 1.0080 0 18920 WAT 1144 TIP3 H2 HT 0.417000 1.0080 0 18921 WAT 1145 TIP3 OH2 OT -0.834000 15.9994 0 18922 WAT 1145 TIP3 H1 HT 0.417000 1.0080 0 18923 WAT 1145 TIP3 H2 HT 0.417000 1.0080 0 18924 WAT 1146 TIP3 OH2 OT -0.834000 15.9994 0 18925 WAT 1146 TIP3 H1 HT 0.417000 1.0080 0 18926 WAT 1146 TIP3 H2 HT 0.417000 1.0080 0 18927 WAT 1147 TIP3 OH2 OT -0.834000 15.9994 0 18928 WAT 1147 TIP3 H1 HT 0.417000 1.0080 0 18929 WAT 1147 TIP3 H2 HT 0.417000 1.0080 0 18930 WAT 1148 TIP3 OH2 OT -0.834000 15.9994 0 18931 WAT 1148 TIP3 H1 HT 0.417000 1.0080 0 18932 WAT 1148 TIP3 H2 HT 0.417000 1.0080 0 18933 WAT 1149 TIP3 OH2 OT -0.834000 15.9994 0 18934 WAT 1149 TIP3 H1 HT 0.417000 1.0080 0 18935 WAT 1149 TIP3 H2 HT 0.417000 1.0080 0 18936 WAT 1150 TIP3 OH2 OT -0.834000 15.9994 0 18937 WAT 1150 TIP3 H1 HT 0.417000 1.0080 0 18938 WAT 1150 TIP3 H2 HT 0.417000 1.0080 0 18939 WAT 1151 TIP3 OH2 OT -0.834000 15.9994 0 18940 WAT 1151 TIP3 H1 HT 0.417000 1.0080 0 18941 WAT 1151 TIP3 H2 HT 0.417000 1.0080 0 18942 WAT 1152 TIP3 OH2 OT -0.834000 15.9994 0 18943 WAT 1152 TIP3 H1 HT 0.417000 1.0080 0 18944 WAT 1152 TIP3 H2 HT 0.417000 1.0080 0 18945 WAT 1153 TIP3 OH2 OT -0.834000 15.9994 0 18946 WAT 1153 TIP3 H1 HT 0.417000 1.0080 0 18947 WAT 1153 TIP3 H2 HT 0.417000 1.0080 0 18948 WAT 1154 TIP3 OH2 OT -0.834000 15.9994 0 18949 WAT 1154 TIP3 H1 HT 0.417000 1.0080 0 18950 WAT 1154 TIP3 H2 HT 0.417000 1.0080 0 18951 WAT 1155 TIP3 OH2 OT -0.834000 15.9994 0 18952 WAT 1155 TIP3 H1 HT 0.417000 1.0080 0 18953 WAT 1155 TIP3 H2 HT 0.417000 1.0080 0 18954 WAT 1156 TIP3 OH2 OT -0.834000 15.9994 0 18955 WAT 1156 TIP3 H1 HT 0.417000 1.0080 0 18956 WAT 1156 TIP3 H2 HT 0.417000 1.0080 0 18957 WAT 1157 TIP3 OH2 OT -0.834000 15.9994 0 18958 WAT 1157 TIP3 H1 HT 0.417000 1.0080 0 18959 WAT 1157 TIP3 H2 HT 0.417000 1.0080 0 18960 WAT 1158 TIP3 OH2 OT -0.834000 15.9994 0 18961 WAT 1158 TIP3 H1 HT 0.417000 1.0080 0 18962 WAT 1158 TIP3 H2 HT 0.417000 1.0080 0 18963 WAT 1159 TIP3 OH2 OT -0.834000 15.9994 0 18964 WAT 1159 TIP3 H1 HT 0.417000 1.0080 0 18965 WAT 1159 TIP3 H2 HT 0.417000 1.0080 0 18966 WAT 1160 TIP3 OH2 OT -0.834000 15.9994 0 18967 WAT 1160 TIP3 H1 HT 0.417000 1.0080 0 18968 WAT 1160 TIP3 H2 HT 0.417000 1.0080 0 18969 WAT 1161 TIP3 OH2 OT -0.834000 15.9994 0 18970 WAT 1161 TIP3 H1 HT 0.417000 1.0080 0 18971 WAT 1161 TIP3 H2 HT 0.417000 1.0080 0 18972 WAT 1162 TIP3 OH2 OT -0.834000 15.9994 0 18973 WAT 1162 TIP3 H1 HT 0.417000 1.0080 0 18974 WAT 1162 TIP3 H2 HT 0.417000 1.0080 0 18975 WAT 1163 TIP3 OH2 OT -0.834000 15.9994 0 18976 WAT 1163 TIP3 H1 HT 0.417000 1.0080 0 18977 WAT 1163 TIP3 H2 HT 0.417000 1.0080 0 18978 WAT 1164 TIP3 OH2 OT -0.834000 15.9994 0 18979 WAT 1164 TIP3 H1 HT 0.417000 1.0080 0 18980 WAT 1164 TIP3 H2 HT 0.417000 1.0080 0 18981 WAT 1165 TIP3 OH2 OT -0.834000 15.9994 0 18982 WAT 1165 TIP3 H1 HT 0.417000 1.0080 0 18983 WAT 1165 TIP3 H2 HT 0.417000 1.0080 0 18984 WAT 1166 TIP3 OH2 OT -0.834000 15.9994 0 18985 WAT 1166 TIP3 H1 HT 0.417000 1.0080 0 18986 WAT 1166 TIP3 H2 HT 0.417000 1.0080 0 18987 WAT 1167 TIP3 OH2 OT -0.834000 15.9994 0 18988 WAT 1167 TIP3 H1 HT 0.417000 1.0080 0 18989 WAT 1167 TIP3 H2 HT 0.417000 1.0080 0 18990 WAT 1168 TIP3 OH2 OT -0.834000 15.9994 0 18991 WAT 1168 TIP3 H1 HT 0.417000 1.0080 0 18992 WAT 1168 TIP3 H2 HT 0.417000 1.0080 0 18993 WAT 1169 TIP3 OH2 OT -0.834000 15.9994 0 18994 WAT 1169 TIP3 H1 HT 0.417000 1.0080 0 18995 WAT 1169 TIP3 H2 HT 0.417000 1.0080 0 18996 WAT 1170 TIP3 OH2 OT -0.834000 15.9994 0 18997 WAT 1170 TIP3 H1 HT 0.417000 1.0080 0 18998 WAT 1170 TIP3 H2 HT 0.417000 1.0080 0 18999 WAT 1171 TIP3 OH2 OT -0.834000 15.9994 0 19000 WAT 1171 TIP3 H1 HT 0.417000 1.0080 0 19001 WAT 1171 TIP3 H2 HT 0.417000 1.0080 0 19002 WAT 1172 TIP3 OH2 OT -0.834000 15.9994 0 19003 WAT 1172 TIP3 H1 HT 0.417000 1.0080 0 19004 WAT 1172 TIP3 H2 HT 0.417000 1.0080 0 19005 WAT 1173 TIP3 OH2 OT -0.834000 15.9994 0 19006 WAT 1173 TIP3 H1 HT 0.417000 1.0080 0 19007 WAT 1173 TIP3 H2 HT 0.417000 1.0080 0 19008 WAT 1174 TIP3 OH2 OT -0.834000 15.9994 0 19009 WAT 1174 TIP3 H1 HT 0.417000 1.0080 0 19010 WAT 1174 TIP3 H2 HT 0.417000 1.0080 0 19011 WAT 1175 TIP3 OH2 OT -0.834000 15.9994 0 19012 WAT 1175 TIP3 H1 HT 0.417000 1.0080 0 19013 WAT 1175 TIP3 H2 HT 0.417000 1.0080 0 19014 WAT 1176 TIP3 OH2 OT -0.834000 15.9994 0 19015 WAT 1176 TIP3 H1 HT 0.417000 1.0080 0 19016 WAT 1176 TIP3 H2 HT 0.417000 1.0080 0 19017 WAT 1177 TIP3 OH2 OT -0.834000 15.9994 0 19018 WAT 1177 TIP3 H1 HT 0.417000 1.0080 0 19019 WAT 1177 TIP3 H2 HT 0.417000 1.0080 0 19020 WAT 1178 TIP3 OH2 OT -0.834000 15.9994 0 19021 WAT 1178 TIP3 H1 HT 0.417000 1.0080 0 19022 WAT 1178 TIP3 H2 HT 0.417000 1.0080 0 19023 WAT 1179 TIP3 OH2 OT -0.834000 15.9994 0 19024 WAT 1179 TIP3 H1 HT 0.417000 1.0080 0 19025 WAT 1179 TIP3 H2 HT 0.417000 1.0080 0 19026 WAT 1180 TIP3 OH2 OT -0.834000 15.9994 0 19027 WAT 1180 TIP3 H1 HT 0.417000 1.0080 0 19028 WAT 1180 TIP3 H2 HT 0.417000 1.0080 0 19029 WAT 1181 TIP3 OH2 OT -0.834000 15.9994 0 19030 WAT 1181 TIP3 H1 HT 0.417000 1.0080 0 19031 WAT 1181 TIP3 H2 HT 0.417000 1.0080 0 19032 WAT 1182 TIP3 OH2 OT -0.834000 15.9994 0 19033 WAT 1182 TIP3 H1 HT 0.417000 1.0080 0 19034 WAT 1182 TIP3 H2 HT 0.417000 1.0080 0 19035 WAT 1183 TIP3 OH2 OT -0.834000 15.9994 0 19036 WAT 1183 TIP3 H1 HT 0.417000 1.0080 0 19037 WAT 1183 TIP3 H2 HT 0.417000 1.0080 0 19038 WAT 1184 TIP3 OH2 OT -0.834000 15.9994 0 19039 WAT 1184 TIP3 H1 HT 0.417000 1.0080 0 19040 WAT 1184 TIP3 H2 HT 0.417000 1.0080 0 19041 WAT 1185 TIP3 OH2 OT -0.834000 15.9994 0 19042 WAT 1185 TIP3 H1 HT 0.417000 1.0080 0 19043 WAT 1185 TIP3 H2 HT 0.417000 1.0080 0 19044 WAT 1186 TIP3 OH2 OT -0.834000 15.9994 0 19045 WAT 1186 TIP3 H1 HT 0.417000 1.0080 0 19046 WAT 1186 TIP3 H2 HT 0.417000 1.0080 0 19047 WAT 1187 TIP3 OH2 OT -0.834000 15.9994 0 19048 WAT 1187 TIP3 H1 HT 0.417000 1.0080 0 19049 WAT 1187 TIP3 H2 HT 0.417000 1.0080 0 19050 WAT 1188 TIP3 OH2 OT -0.834000 15.9994 0 19051 WAT 1188 TIP3 H1 HT 0.417000 1.0080 0 19052 WAT 1188 TIP3 H2 HT 0.417000 1.0080 0 19053 WAT 1189 TIP3 OH2 OT -0.834000 15.9994 0 19054 WAT 1189 TIP3 H1 HT 0.417000 1.0080 0 19055 WAT 1189 TIP3 H2 HT 0.417000 1.0080 0 19056 WAT 1190 TIP3 OH2 OT -0.834000 15.9994 0 19057 WAT 1190 TIP3 H1 HT 0.417000 1.0080 0 19058 WAT 1190 TIP3 H2 HT 0.417000 1.0080 0 19059 WAT 1191 TIP3 OH2 OT -0.834000 15.9994 0 19060 WAT 1191 TIP3 H1 HT 0.417000 1.0080 0 19061 WAT 1191 TIP3 H2 HT 0.417000 1.0080 0 19062 WAT 1192 TIP3 OH2 OT -0.834000 15.9994 0 19063 WAT 1192 TIP3 H1 HT 0.417000 1.0080 0 19064 WAT 1192 TIP3 H2 HT 0.417000 1.0080 0 19065 WAT 1193 TIP3 OH2 OT -0.834000 15.9994 0 19066 WAT 1193 TIP3 H1 HT 0.417000 1.0080 0 19067 WAT 1193 TIP3 H2 HT 0.417000 1.0080 0 19068 WAT 1194 TIP3 OH2 OT -0.834000 15.9994 0 19069 WAT 1194 TIP3 H1 HT 0.417000 1.0080 0 19070 WAT 1194 TIP3 H2 HT 0.417000 1.0080 0 19071 WAT 1195 TIP3 OH2 OT -0.834000 15.9994 0 19072 WAT 1195 TIP3 H1 HT 0.417000 1.0080 0 19073 WAT 1195 TIP3 H2 HT 0.417000 1.0080 0 19074 WAT 1196 TIP3 OH2 OT -0.834000 15.9994 0 19075 WAT 1196 TIP3 H1 HT 0.417000 1.0080 0 19076 WAT 1196 TIP3 H2 HT 0.417000 1.0080 0 19077 WAT 1197 TIP3 OH2 OT -0.834000 15.9994 0 19078 WAT 1197 TIP3 H1 HT 0.417000 1.0080 0 19079 WAT 1197 TIP3 H2 HT 0.417000 1.0080 0 19080 WAT 1198 TIP3 OH2 OT -0.834000 15.9994 0 19081 WAT 1198 TIP3 H1 HT 0.417000 1.0080 0 19082 WAT 1198 TIP3 H2 HT 0.417000 1.0080 0 19083 WAT 1199 TIP3 OH2 OT -0.834000 15.9994 0 19084 WAT 1199 TIP3 H1 HT 0.417000 1.0080 0 19085 WAT 1199 TIP3 H2 HT 0.417000 1.0080 0 19086 WAT 1200 TIP3 OH2 OT -0.834000 15.9994 0 19087 WAT 1200 TIP3 H1 HT 0.417000 1.0080 0 19088 WAT 1200 TIP3 H2 HT 0.417000 1.0080 0 19089 WAT 1201 TIP3 OH2 OT -0.834000 15.9994 0 19090 WAT 1201 TIP3 H1 HT 0.417000 1.0080 0 19091 WAT 1201 TIP3 H2 HT 0.417000 1.0080 0 19092 WAT 1202 TIP3 OH2 OT -0.834000 15.9994 0 19093 WAT 1202 TIP3 H1 HT 0.417000 1.0080 0 19094 WAT 1202 TIP3 H2 HT 0.417000 1.0080 0 19095 WAT 1203 TIP3 OH2 OT -0.834000 15.9994 0 19096 WAT 1203 TIP3 H1 HT 0.417000 1.0080 0 19097 WAT 1203 TIP3 H2 HT 0.417000 1.0080 0 19098 WAT 1204 TIP3 OH2 OT -0.834000 15.9994 0 19099 WAT 1204 TIP3 H1 HT 0.417000 1.0080 0 19100 WAT 1204 TIP3 H2 HT 0.417000 1.0080 0 19101 WAT 1205 TIP3 OH2 OT -0.834000 15.9994 0 19102 WAT 1205 TIP3 H1 HT 0.417000 1.0080 0 19103 WAT 1205 TIP3 H2 HT 0.417000 1.0080 0 19104 WAT 1206 TIP3 OH2 OT -0.834000 15.9994 0 19105 WAT 1206 TIP3 H1 HT 0.417000 1.0080 0 19106 WAT 1206 TIP3 H2 HT 0.417000 1.0080 0 19107 WAT 1207 TIP3 OH2 OT -0.834000 15.9994 0 19108 WAT 1207 TIP3 H1 HT 0.417000 1.0080 0 19109 WAT 1207 TIP3 H2 HT 0.417000 1.0080 0 19110 WAT 1208 TIP3 OH2 OT -0.834000 15.9994 0 19111 WAT 1208 TIP3 H1 HT 0.417000 1.0080 0 19112 WAT 1208 TIP3 H2 HT 0.417000 1.0080 0 19113 WAT 1209 TIP3 OH2 OT -0.834000 15.9994 0 19114 WAT 1209 TIP3 H1 HT 0.417000 1.0080 0 19115 WAT 1209 TIP3 H2 HT 0.417000 1.0080 0 19116 WAT 1210 TIP3 OH2 OT -0.834000 15.9994 0 19117 WAT 1210 TIP3 H1 HT 0.417000 1.0080 0 19118 WAT 1210 TIP3 H2 HT 0.417000 1.0080 0 19119 WAT 1211 TIP3 OH2 OT -0.834000 15.9994 0 19120 WAT 1211 TIP3 H1 HT 0.417000 1.0080 0 19121 WAT 1211 TIP3 H2 HT 0.417000 1.0080 0 19122 WAT 1212 TIP3 OH2 OT -0.834000 15.9994 0 19123 WAT 1212 TIP3 H1 HT 0.417000 1.0080 0 19124 WAT 1212 TIP3 H2 HT 0.417000 1.0080 0 19125 WAT 1213 TIP3 OH2 OT -0.834000 15.9994 0 19126 WAT 1213 TIP3 H1 HT 0.417000 1.0080 0 19127 WAT 1213 TIP3 H2 HT 0.417000 1.0080 0 19128 WAT 1214 TIP3 OH2 OT -0.834000 15.9994 0 19129 WAT 1214 TIP3 H1 HT 0.417000 1.0080 0 19130 WAT 1214 TIP3 H2 HT 0.417000 1.0080 0 19131 WAT 1215 TIP3 OH2 OT -0.834000 15.9994 0 19132 WAT 1215 TIP3 H1 HT 0.417000 1.0080 0 19133 WAT 1215 TIP3 H2 HT 0.417000 1.0080 0 19134 WAT 1216 TIP3 OH2 OT -0.834000 15.9994 0 19135 WAT 1216 TIP3 H1 HT 0.417000 1.0080 0 19136 WAT 1216 TIP3 H2 HT 0.417000 1.0080 0 19137 WAT 1217 TIP3 OH2 OT -0.834000 15.9994 0 19138 WAT 1217 TIP3 H1 HT 0.417000 1.0080 0 19139 WAT 1217 TIP3 H2 HT 0.417000 1.0080 0 19140 WAT 1218 TIP3 OH2 OT -0.834000 15.9994 0 19141 WAT 1218 TIP3 H1 HT 0.417000 1.0080 0 19142 WAT 1218 TIP3 H2 HT 0.417000 1.0080 0 19143 WAT 1219 TIP3 OH2 OT -0.834000 15.9994 0 19144 WAT 1219 TIP3 H1 HT 0.417000 1.0080 0 19145 WAT 1219 TIP3 H2 HT 0.417000 1.0080 0 19146 WAT 1220 TIP3 OH2 OT -0.834000 15.9994 0 19147 WAT 1220 TIP3 H1 HT 0.417000 1.0080 0 19148 WAT 1220 TIP3 H2 HT 0.417000 1.0080 0 19149 WAT 1221 TIP3 OH2 OT -0.834000 15.9994 0 19150 WAT 1221 TIP3 H1 HT 0.417000 1.0080 0 19151 WAT 1221 TIP3 H2 HT 0.417000 1.0080 0 19152 WAT 1222 TIP3 OH2 OT -0.834000 15.9994 0 19153 WAT 1222 TIP3 H1 HT 0.417000 1.0080 0 19154 WAT 1222 TIP3 H2 HT 0.417000 1.0080 0 19155 WAT 1223 TIP3 OH2 OT -0.834000 15.9994 0 19156 WAT 1223 TIP3 H1 HT 0.417000 1.0080 0 19157 WAT 1223 TIP3 H2 HT 0.417000 1.0080 0 19158 WAT 1224 TIP3 OH2 OT -0.834000 15.9994 0 19159 WAT 1224 TIP3 H1 HT 0.417000 1.0080 0 19160 WAT 1224 TIP3 H2 HT 0.417000 1.0080 0 19161 WAT 1225 TIP3 OH2 OT -0.834000 15.9994 0 19162 WAT 1225 TIP3 H1 HT 0.417000 1.0080 0 19163 WAT 1225 TIP3 H2 HT 0.417000 1.0080 0 19164 WAT 1226 TIP3 OH2 OT -0.834000 15.9994 0 19165 WAT 1226 TIP3 H1 HT 0.417000 1.0080 0 19166 WAT 1226 TIP3 H2 HT 0.417000 1.0080 0 19167 WAT 1227 TIP3 OH2 OT -0.834000 15.9994 0 19168 WAT 1227 TIP3 H1 HT 0.417000 1.0080 0 19169 WAT 1227 TIP3 H2 HT 0.417000 1.0080 0 19170 WAT 1228 TIP3 OH2 OT -0.834000 15.9994 0 19171 WAT 1228 TIP3 H1 HT 0.417000 1.0080 0 19172 WAT 1228 TIP3 H2 HT 0.417000 1.0080 0 19173 WAT 1229 TIP3 OH2 OT -0.834000 15.9994 0 19174 WAT 1229 TIP3 H1 HT 0.417000 1.0080 0 19175 WAT 1229 TIP3 H2 HT 0.417000 1.0080 0 19176 WAT 1230 TIP3 OH2 OT -0.834000 15.9994 0 19177 WAT 1230 TIP3 H1 HT 0.417000 1.0080 0 19178 WAT 1230 TIP3 H2 HT 0.417000 1.0080 0 19179 WAT 1231 TIP3 OH2 OT -0.834000 15.9994 0 19180 WAT 1231 TIP3 H1 HT 0.417000 1.0080 0 19181 WAT 1231 TIP3 H2 HT 0.417000 1.0080 0 19182 WAT 1232 TIP3 OH2 OT -0.834000 15.9994 0 19183 WAT 1232 TIP3 H1 HT 0.417000 1.0080 0 19184 WAT 1232 TIP3 H2 HT 0.417000 1.0080 0 19185 WAT 1233 TIP3 OH2 OT -0.834000 15.9994 0 19186 WAT 1233 TIP3 H1 HT 0.417000 1.0080 0 19187 WAT 1233 TIP3 H2 HT 0.417000 1.0080 0 19188 WAT 1234 TIP3 OH2 OT -0.834000 15.9994 0 19189 WAT 1234 TIP3 H1 HT 0.417000 1.0080 0 19190 WAT 1234 TIP3 H2 HT 0.417000 1.0080 0 19191 WAT 1235 TIP3 OH2 OT -0.834000 15.9994 0 19192 WAT 1235 TIP3 H1 HT 0.417000 1.0080 0 19193 WAT 1235 TIP3 H2 HT 0.417000 1.0080 0 19194 WAT 1236 TIP3 OH2 OT -0.834000 15.9994 0 19195 WAT 1236 TIP3 H1 HT 0.417000 1.0080 0 19196 WAT 1236 TIP3 H2 HT 0.417000 1.0080 0 19197 WAT 1237 TIP3 OH2 OT -0.834000 15.9994 0 19198 WAT 1237 TIP3 H1 HT 0.417000 1.0080 0 19199 WAT 1237 TIP3 H2 HT 0.417000 1.0080 0 19200 WAT 1238 TIP3 OH2 OT -0.834000 15.9994 0 19201 WAT 1238 TIP3 H1 HT 0.417000 1.0080 0 19202 WAT 1238 TIP3 H2 HT 0.417000 1.0080 0 19203 WAT 1239 TIP3 OH2 OT -0.834000 15.9994 0 19204 WAT 1239 TIP3 H1 HT 0.417000 1.0080 0 19205 WAT 1239 TIP3 H2 HT 0.417000 1.0080 0 19206 WAT 1240 TIP3 OH2 OT -0.834000 15.9994 0 19207 WAT 1240 TIP3 H1 HT 0.417000 1.0080 0 19208 WAT 1240 TIP3 H2 HT 0.417000 1.0080 0 19209 WAT 1241 TIP3 OH2 OT -0.834000 15.9994 0 19210 WAT 1241 TIP3 H1 HT 0.417000 1.0080 0 19211 WAT 1241 TIP3 H2 HT 0.417000 1.0080 0 19212 WAT 1242 TIP3 OH2 OT -0.834000 15.9994 0 19213 WAT 1242 TIP3 H1 HT 0.417000 1.0080 0 19214 WAT 1242 TIP3 H2 HT 0.417000 1.0080 0 19215 WAT 1243 TIP3 OH2 OT -0.834000 15.9994 0 19216 WAT 1243 TIP3 H1 HT 0.417000 1.0080 0 19217 WAT 1243 TIP3 H2 HT 0.417000 1.0080 0 19218 WAT 1244 TIP3 OH2 OT -0.834000 15.9994 0 19219 WAT 1244 TIP3 H1 HT 0.417000 1.0080 0 19220 WAT 1244 TIP3 H2 HT 0.417000 1.0080 0 19221 WAT 1245 TIP3 OH2 OT -0.834000 15.9994 0 19222 WAT 1245 TIP3 H1 HT 0.417000 1.0080 0 19223 WAT 1245 TIP3 H2 HT 0.417000 1.0080 0 19224 WAT 1246 TIP3 OH2 OT -0.834000 15.9994 0 19225 WAT 1246 TIP3 H1 HT 0.417000 1.0080 0 19226 WAT 1246 TIP3 H2 HT 0.417000 1.0080 0 19227 WAT 1247 TIP3 OH2 OT -0.834000 15.9994 0 19228 WAT 1247 TIP3 H1 HT 0.417000 1.0080 0 19229 WAT 1247 TIP3 H2 HT 0.417000 1.0080 0 19230 WAT 1248 TIP3 OH2 OT -0.834000 15.9994 0 19231 WAT 1248 TIP3 H1 HT 0.417000 1.0080 0 19232 WAT 1248 TIP3 H2 HT 0.417000 1.0080 0 19233 WAT 1249 TIP3 OH2 OT -0.834000 15.9994 0 19234 WAT 1249 TIP3 H1 HT 0.417000 1.0080 0 19235 WAT 1249 TIP3 H2 HT 0.417000 1.0080 0 19236 WAT 1250 TIP3 OH2 OT -0.834000 15.9994 0 19237 WAT 1250 TIP3 H1 HT 0.417000 1.0080 0 19238 WAT 1250 TIP3 H2 HT 0.417000 1.0080 0 19239 WAT 1251 TIP3 OH2 OT -0.834000 15.9994 0 19240 WAT 1251 TIP3 H1 HT 0.417000 1.0080 0 19241 WAT 1251 TIP3 H2 HT 0.417000 1.0080 0 19242 WAT 1252 TIP3 OH2 OT -0.834000 15.9994 0 19243 WAT 1252 TIP3 H1 HT 0.417000 1.0080 0 19244 WAT 1252 TIP3 H2 HT 0.417000 1.0080 0 19245 WAT 1253 TIP3 OH2 OT -0.834000 15.9994 0 19246 WAT 1253 TIP3 H1 HT 0.417000 1.0080 0 19247 WAT 1253 TIP3 H2 HT 0.417000 1.0080 0 19248 WAT 1254 TIP3 OH2 OT -0.834000 15.9994 0 19249 WAT 1254 TIP3 H1 HT 0.417000 1.0080 0 19250 WAT 1254 TIP3 H2 HT 0.417000 1.0080 0 19251 WAT 1255 TIP3 OH2 OT -0.834000 15.9994 0 19252 WAT 1255 TIP3 H1 HT 0.417000 1.0080 0 19253 WAT 1255 TIP3 H2 HT 0.417000 1.0080 0 19254 WAT 1256 TIP3 OH2 OT -0.834000 15.9994 0 19255 WAT 1256 TIP3 H1 HT 0.417000 1.0080 0 19256 WAT 1256 TIP3 H2 HT 0.417000 1.0080 0 19257 WAT 1257 TIP3 OH2 OT -0.834000 15.9994 0 19258 WAT 1257 TIP3 H1 HT 0.417000 1.0080 0 19259 WAT 1257 TIP3 H2 HT 0.417000 1.0080 0 19260 WAT 1258 TIP3 OH2 OT -0.834000 15.9994 0 19261 WAT 1258 TIP3 H1 HT 0.417000 1.0080 0 19262 WAT 1258 TIP3 H2 HT 0.417000 1.0080 0 19263 WAT 1259 TIP3 OH2 OT -0.834000 15.9994 0 19264 WAT 1259 TIP3 H1 HT 0.417000 1.0080 0 19265 WAT 1259 TIP3 H2 HT 0.417000 1.0080 0 19266 WAT 1260 TIP3 OH2 OT -0.834000 15.9994 0 19267 WAT 1260 TIP3 H1 HT 0.417000 1.0080 0 19268 WAT 1260 TIP3 H2 HT 0.417000 1.0080 0 19269 WAT 1261 TIP3 OH2 OT -0.834000 15.9994 0 19270 WAT 1261 TIP3 H1 HT 0.417000 1.0080 0 19271 WAT 1261 TIP3 H2 HT 0.417000 1.0080 0 19272 WAT 1262 TIP3 OH2 OT -0.834000 15.9994 0 19273 WAT 1262 TIP3 H1 HT 0.417000 1.0080 0 19274 WAT 1262 TIP3 H2 HT 0.417000 1.0080 0 19275 WAT 1263 TIP3 OH2 OT -0.834000 15.9994 0 19276 WAT 1263 TIP3 H1 HT 0.417000 1.0080 0 19277 WAT 1263 TIP3 H2 HT 0.417000 1.0080 0 19278 WAT 1264 TIP3 OH2 OT -0.834000 15.9994 0 19279 WAT 1264 TIP3 H1 HT 0.417000 1.0080 0 19280 WAT 1264 TIP3 H2 HT 0.417000 1.0080 0 19281 WAT 1265 TIP3 OH2 OT -0.834000 15.9994 0 19282 WAT 1265 TIP3 H1 HT 0.417000 1.0080 0 19283 WAT 1265 TIP3 H2 HT 0.417000 1.0080 0 19284 WAT 1266 TIP3 OH2 OT -0.834000 15.9994 0 19285 WAT 1266 TIP3 H1 HT 0.417000 1.0080 0 19286 WAT 1266 TIP3 H2 HT 0.417000 1.0080 0 19287 WAT 1267 TIP3 OH2 OT -0.834000 15.9994 0 19288 WAT 1267 TIP3 H1 HT 0.417000 1.0080 0 19289 WAT 1267 TIP3 H2 HT 0.417000 1.0080 0 19290 WAT 1268 TIP3 OH2 OT -0.834000 15.9994 0 19291 WAT 1268 TIP3 H1 HT 0.417000 1.0080 0 19292 WAT 1268 TIP3 H2 HT 0.417000 1.0080 0 19293 WAT 1269 TIP3 OH2 OT -0.834000 15.9994 0 19294 WAT 1269 TIP3 H1 HT 0.417000 1.0080 0 19295 WAT 1269 TIP3 H2 HT 0.417000 1.0080 0 19296 WAT 1270 TIP3 OH2 OT -0.834000 15.9994 0 19297 WAT 1270 TIP3 H1 HT 0.417000 1.0080 0 19298 WAT 1270 TIP3 H2 HT 0.417000 1.0080 0 19299 WAT 1271 TIP3 OH2 OT -0.834000 15.9994 0 19300 WAT 1271 TIP3 H1 HT 0.417000 1.0080 0 19301 WAT 1271 TIP3 H2 HT 0.417000 1.0080 0 19302 WAT 1272 TIP3 OH2 OT -0.834000 15.9994 0 19303 WAT 1272 TIP3 H1 HT 0.417000 1.0080 0 19304 WAT 1272 TIP3 H2 HT 0.417000 1.0080 0 19305 WAT 1273 TIP3 OH2 OT -0.834000 15.9994 0 19306 WAT 1273 TIP3 H1 HT 0.417000 1.0080 0 19307 WAT 1273 TIP3 H2 HT 0.417000 1.0080 0 19308 WAT 1274 TIP3 OH2 OT -0.834000 15.9994 0 19309 WAT 1274 TIP3 H1 HT 0.417000 1.0080 0 19310 WAT 1274 TIP3 H2 HT 0.417000 1.0080 0 19311 WAT 1275 TIP3 OH2 OT -0.834000 15.9994 0 19312 WAT 1275 TIP3 H1 HT 0.417000 1.0080 0 19313 WAT 1275 TIP3 H2 HT 0.417000 1.0080 0 19314 WAT 1276 TIP3 OH2 OT -0.834000 15.9994 0 19315 WAT 1276 TIP3 H1 HT 0.417000 1.0080 0 19316 WAT 1276 TIP3 H2 HT 0.417000 1.0080 0 19317 WAT 1277 TIP3 OH2 OT -0.834000 15.9994 0 19318 WAT 1277 TIP3 H1 HT 0.417000 1.0080 0 19319 WAT 1277 TIP3 H2 HT 0.417000 1.0080 0 19320 WAT 1278 TIP3 OH2 OT -0.834000 15.9994 0 19321 WAT 1278 TIP3 H1 HT 0.417000 1.0080 0 19322 WAT 1278 TIP3 H2 HT 0.417000 1.0080 0 19323 WAT 1279 TIP3 OH2 OT -0.834000 15.9994 0 19324 WAT 1279 TIP3 H1 HT 0.417000 1.0080 0 19325 WAT 1279 TIP3 H2 HT 0.417000 1.0080 0 19326 WAT 1280 TIP3 OH2 OT -0.834000 15.9994 0 19327 WAT 1280 TIP3 H1 HT 0.417000 1.0080 0 19328 WAT 1280 TIP3 H2 HT 0.417000 1.0080 0 19329 WAT 1281 TIP3 OH2 OT -0.834000 15.9994 0 19330 WAT 1281 TIP3 H1 HT 0.417000 1.0080 0 19331 WAT 1281 TIP3 H2 HT 0.417000 1.0080 0 19332 WAT 1282 TIP3 OH2 OT -0.834000 15.9994 0 19333 WAT 1282 TIP3 H1 HT 0.417000 1.0080 0 19334 WAT 1282 TIP3 H2 HT 0.417000 1.0080 0 19335 WAT 1283 TIP3 OH2 OT -0.834000 15.9994 0 19336 WAT 1283 TIP3 H1 HT 0.417000 1.0080 0 19337 WAT 1283 TIP3 H2 HT 0.417000 1.0080 0 19338 WAT 1284 TIP3 OH2 OT -0.834000 15.9994 0 19339 WAT 1284 TIP3 H1 HT 0.417000 1.0080 0 19340 WAT 1284 TIP3 H2 HT 0.417000 1.0080 0 19341 WAT 1285 TIP3 OH2 OT -0.834000 15.9994 0 19342 WAT 1285 TIP3 H1 HT 0.417000 1.0080 0 19343 WAT 1285 TIP3 H2 HT 0.417000 1.0080 0 19344 WAT 1286 TIP3 OH2 OT -0.834000 15.9994 0 19345 WAT 1286 TIP3 H1 HT 0.417000 1.0080 0 19346 WAT 1286 TIP3 H2 HT 0.417000 1.0080 0 19347 WAT 1287 TIP3 OH2 OT -0.834000 15.9994 0 19348 WAT 1287 TIP3 H1 HT 0.417000 1.0080 0 19349 WAT 1287 TIP3 H2 HT 0.417000 1.0080 0 19350 WAT 1288 TIP3 OH2 OT -0.834000 15.9994 0 19351 WAT 1288 TIP3 H1 HT 0.417000 1.0080 0 19352 WAT 1288 TIP3 H2 HT 0.417000 1.0080 0 19353 WAT 1289 TIP3 OH2 OT -0.834000 15.9994 0 19354 WAT 1289 TIP3 H1 HT 0.417000 1.0080 0 19355 WAT 1289 TIP3 H2 HT 0.417000 1.0080 0 19356 WAT 1290 TIP3 OH2 OT -0.834000 15.9994 0 19357 WAT 1290 TIP3 H1 HT 0.417000 1.0080 0 19358 WAT 1290 TIP3 H2 HT 0.417000 1.0080 0 19359 WAT 1291 TIP3 OH2 OT -0.834000 15.9994 0 19360 WAT 1291 TIP3 H1 HT 0.417000 1.0080 0 19361 WAT 1291 TIP3 H2 HT 0.417000 1.0080 0 19362 WAT 1292 TIP3 OH2 OT -0.834000 15.9994 0 19363 WAT 1292 TIP3 H1 HT 0.417000 1.0080 0 19364 WAT 1292 TIP3 H2 HT 0.417000 1.0080 0 19365 WAT 1293 TIP3 OH2 OT -0.834000 15.9994 0 19366 WAT 1293 TIP3 H1 HT 0.417000 1.0080 0 19367 WAT 1293 TIP3 H2 HT 0.417000 1.0080 0 19368 WAT 1294 TIP3 OH2 OT -0.834000 15.9994 0 19369 WAT 1294 TIP3 H1 HT 0.417000 1.0080 0 19370 WAT 1294 TIP3 H2 HT 0.417000 1.0080 0 19371 WAT 1295 TIP3 OH2 OT -0.834000 15.9994 0 19372 WAT 1295 TIP3 H1 HT 0.417000 1.0080 0 19373 WAT 1295 TIP3 H2 HT 0.417000 1.0080 0 19374 WAT 1296 TIP3 OH2 OT -0.834000 15.9994 0 19375 WAT 1296 TIP3 H1 HT 0.417000 1.0080 0 19376 WAT 1296 TIP3 H2 HT 0.417000 1.0080 0 19377 WAT 1297 TIP3 OH2 OT -0.834000 15.9994 0 19378 WAT 1297 TIP3 H1 HT 0.417000 1.0080 0 19379 WAT 1297 TIP3 H2 HT 0.417000 1.0080 0 19380 WAT 1298 TIP3 OH2 OT -0.834000 15.9994 0 19381 WAT 1298 TIP3 H1 HT 0.417000 1.0080 0 19382 WAT 1298 TIP3 H2 HT 0.417000 1.0080 0 19383 WAT 1299 TIP3 OH2 OT -0.834000 15.9994 0 19384 WAT 1299 TIP3 H1 HT 0.417000 1.0080 0 19385 WAT 1299 TIP3 H2 HT 0.417000 1.0080 0 19386 WAT 1300 TIP3 OH2 OT -0.834000 15.9994 0 19387 WAT 1300 TIP3 H1 HT 0.417000 1.0080 0 19388 WAT 1300 TIP3 H2 HT 0.417000 1.0080 0 19389 WAT 1301 TIP3 OH2 OT -0.834000 15.9994 0 19390 WAT 1301 TIP3 H1 HT 0.417000 1.0080 0 19391 WAT 1301 TIP3 H2 HT 0.417000 1.0080 0 19392 WAT 1302 TIP3 OH2 OT -0.834000 15.9994 0 19393 WAT 1302 TIP3 H1 HT 0.417000 1.0080 0 19394 WAT 1302 TIP3 H2 HT 0.417000 1.0080 0 19395 WAT 1303 TIP3 OH2 OT -0.834000 15.9994 0 19396 WAT 1303 TIP3 H1 HT 0.417000 1.0080 0 19397 WAT 1303 TIP3 H2 HT 0.417000 1.0080 0 19398 WAT 1304 TIP3 OH2 OT -0.834000 15.9994 0 19399 WAT 1304 TIP3 H1 HT 0.417000 1.0080 0 19400 WAT 1304 TIP3 H2 HT 0.417000 1.0080 0 19401 WAT 1305 TIP3 OH2 OT -0.834000 15.9994 0 19402 WAT 1305 TIP3 H1 HT 0.417000 1.0080 0 19403 WAT 1305 TIP3 H2 HT 0.417000 1.0080 0 19404 WAT 1306 TIP3 OH2 OT -0.834000 15.9994 0 19405 WAT 1306 TIP3 H1 HT 0.417000 1.0080 0 19406 WAT 1306 TIP3 H2 HT 0.417000 1.0080 0 19407 WAT 1307 TIP3 OH2 OT -0.834000 15.9994 0 19408 WAT 1307 TIP3 H1 HT 0.417000 1.0080 0 19409 WAT 1307 TIP3 H2 HT 0.417000 1.0080 0 19410 WAT 1308 TIP3 OH2 OT -0.834000 15.9994 0 19411 WAT 1308 TIP3 H1 HT 0.417000 1.0080 0 19412 WAT 1308 TIP3 H2 HT 0.417000 1.0080 0 19413 WAT 1309 TIP3 OH2 OT -0.834000 15.9994 0 19414 WAT 1309 TIP3 H1 HT 0.417000 1.0080 0 19415 WAT 1309 TIP3 H2 HT 0.417000 1.0080 0 19416 WAT 1310 TIP3 OH2 OT -0.834000 15.9994 0 19417 WAT 1310 TIP3 H1 HT 0.417000 1.0080 0 19418 WAT 1310 TIP3 H2 HT 0.417000 1.0080 0 19419 WAT 1311 TIP3 OH2 OT -0.834000 15.9994 0 19420 WAT 1311 TIP3 H1 HT 0.417000 1.0080 0 19421 WAT 1311 TIP3 H2 HT 0.417000 1.0080 0 19422 WAT 1312 TIP3 OH2 OT -0.834000 15.9994 0 19423 WAT 1312 TIP3 H1 HT 0.417000 1.0080 0 19424 WAT 1312 TIP3 H2 HT 0.417000 1.0080 0 19425 WAT 1313 TIP3 OH2 OT -0.834000 15.9994 0 19426 WAT 1313 TIP3 H1 HT 0.417000 1.0080 0 19427 WAT 1313 TIP3 H2 HT 0.417000 1.0080 0 19428 WAT 1314 TIP3 OH2 OT -0.834000 15.9994 0 19429 WAT 1314 TIP3 H1 HT 0.417000 1.0080 0 19430 WAT 1314 TIP3 H2 HT 0.417000 1.0080 0 19431 WAT 1315 TIP3 OH2 OT -0.834000 15.9994 0 19432 WAT 1315 TIP3 H1 HT 0.417000 1.0080 0 19433 WAT 1315 TIP3 H2 HT 0.417000 1.0080 0 19434 WAT 1316 TIP3 OH2 OT -0.834000 15.9994 0 19435 WAT 1316 TIP3 H1 HT 0.417000 1.0080 0 19436 WAT 1316 TIP3 H2 HT 0.417000 1.0080 0 19437 WAT 1317 TIP3 OH2 OT -0.834000 15.9994 0 19438 WAT 1317 TIP3 H1 HT 0.417000 1.0080 0 19439 WAT 1317 TIP3 H2 HT 0.417000 1.0080 0 19440 WAT 1318 TIP3 OH2 OT -0.834000 15.9994 0 19441 WAT 1318 TIP3 H1 HT 0.417000 1.0080 0 19442 WAT 1318 TIP3 H2 HT 0.417000 1.0080 0 19443 WAT 1319 TIP3 OH2 OT -0.834000 15.9994 0 19444 WAT 1319 TIP3 H1 HT 0.417000 1.0080 0 19445 WAT 1319 TIP3 H2 HT 0.417000 1.0080 0 19446 WAT 1320 TIP3 OH2 OT -0.834000 15.9994 0 19447 WAT 1320 TIP3 H1 HT 0.417000 1.0080 0 19448 WAT 1320 TIP3 H2 HT 0.417000 1.0080 0 19449 WAT 1321 TIP3 OH2 OT -0.834000 15.9994 0 19450 WAT 1321 TIP3 H1 HT 0.417000 1.0080 0 19451 WAT 1321 TIP3 H2 HT 0.417000 1.0080 0 19452 WAT 1322 TIP3 OH2 OT -0.834000 15.9994 0 19453 WAT 1322 TIP3 H1 HT 0.417000 1.0080 0 19454 WAT 1322 TIP3 H2 HT 0.417000 1.0080 0 19455 WAT 1323 TIP3 OH2 OT -0.834000 15.9994 0 19456 WAT 1323 TIP3 H1 HT 0.417000 1.0080 0 19457 WAT 1323 TIP3 H2 HT 0.417000 1.0080 0 19458 WAT 1324 TIP3 OH2 OT -0.834000 15.9994 0 19459 WAT 1324 TIP3 H1 HT 0.417000 1.0080 0 19460 WAT 1324 TIP3 H2 HT 0.417000 1.0080 0 19461 WAT 1325 TIP3 OH2 OT -0.834000 15.9994 0 19462 WAT 1325 TIP3 H1 HT 0.417000 1.0080 0 19463 WAT 1325 TIP3 H2 HT 0.417000 1.0080 0 19464 WAT 1326 TIP3 OH2 OT -0.834000 15.9994 0 19465 WAT 1326 TIP3 H1 HT 0.417000 1.0080 0 19466 WAT 1326 TIP3 H2 HT 0.417000 1.0080 0 19467 WAT 1327 TIP3 OH2 OT -0.834000 15.9994 0 19468 WAT 1327 TIP3 H1 HT 0.417000 1.0080 0 19469 WAT 1327 TIP3 H2 HT 0.417000 1.0080 0 19470 WAT 1328 TIP3 OH2 OT -0.834000 15.9994 0 19471 WAT 1328 TIP3 H1 HT 0.417000 1.0080 0 19472 WAT 1328 TIP3 H2 HT 0.417000 1.0080 0 19473 WAT 1329 TIP3 OH2 OT -0.834000 15.9994 0 19474 WAT 1329 TIP3 H1 HT 0.417000 1.0080 0 19475 WAT 1329 TIP3 H2 HT 0.417000 1.0080 0 19476 WAT 1330 TIP3 OH2 OT -0.834000 15.9994 0 19477 WAT 1330 TIP3 H1 HT 0.417000 1.0080 0 19478 WAT 1330 TIP3 H2 HT 0.417000 1.0080 0 19479 WAT 1331 TIP3 OH2 OT -0.834000 15.9994 0 19480 WAT 1331 TIP3 H1 HT 0.417000 1.0080 0 19481 WAT 1331 TIP3 H2 HT 0.417000 1.0080 0 19482 WAT 1332 TIP3 OH2 OT -0.834000 15.9994 0 19483 WAT 1332 TIP3 H1 HT 0.417000 1.0080 0 19484 WAT 1332 TIP3 H2 HT 0.417000 1.0080 0 19485 WAT 1333 TIP3 OH2 OT -0.834000 15.9994 0 19486 WAT 1333 TIP3 H1 HT 0.417000 1.0080 0 19487 WAT 1333 TIP3 H2 HT 0.417000 1.0080 0 19488 WAT 1334 TIP3 OH2 OT -0.834000 15.9994 0 19489 WAT 1334 TIP3 H1 HT 0.417000 1.0080 0 19490 WAT 1334 TIP3 H2 HT 0.417000 1.0080 0 19491 WAT 1335 TIP3 OH2 OT -0.834000 15.9994 0 19492 WAT 1335 TIP3 H1 HT 0.417000 1.0080 0 19493 WAT 1335 TIP3 H2 HT 0.417000 1.0080 0 19494 WAT 1336 TIP3 OH2 OT -0.834000 15.9994 0 19495 WAT 1336 TIP3 H1 HT 0.417000 1.0080 0 19496 WAT 1336 TIP3 H2 HT 0.417000 1.0080 0 19497 WAT 1337 TIP3 OH2 OT -0.834000 15.9994 0 19498 WAT 1337 TIP3 H1 HT 0.417000 1.0080 0 19499 WAT 1337 TIP3 H2 HT 0.417000 1.0080 0 19500 WAT 1338 TIP3 OH2 OT -0.834000 15.9994 0 19501 WAT 1338 TIP3 H1 HT 0.417000 1.0080 0 19502 WAT 1338 TIP3 H2 HT 0.417000 1.0080 0 19503 WAT 1339 TIP3 OH2 OT -0.834000 15.9994 0 19504 WAT 1339 TIP3 H1 HT 0.417000 1.0080 0 19505 WAT 1339 TIP3 H2 HT 0.417000 1.0080 0 19506 WAT 1340 TIP3 OH2 OT -0.834000 15.9994 0 19507 WAT 1340 TIP3 H1 HT 0.417000 1.0080 0 19508 WAT 1340 TIP3 H2 HT 0.417000 1.0080 0 19509 WAT 1341 TIP3 OH2 OT -0.834000 15.9994 0 19510 WAT 1341 TIP3 H1 HT 0.417000 1.0080 0 19511 WAT 1341 TIP3 H2 HT 0.417000 1.0080 0 19512 WAT 1342 TIP3 OH2 OT -0.834000 15.9994 0 19513 WAT 1342 TIP3 H1 HT 0.417000 1.0080 0 19514 WAT 1342 TIP3 H2 HT 0.417000 1.0080 0 19515 WAT 1343 TIP3 OH2 OT -0.834000 15.9994 0 19516 WAT 1343 TIP3 H1 HT 0.417000 1.0080 0 19517 WAT 1343 TIP3 H2 HT 0.417000 1.0080 0 19518 WAT 1344 TIP3 OH2 OT -0.834000 15.9994 0 19519 WAT 1344 TIP3 H1 HT 0.417000 1.0080 0 19520 WAT 1344 TIP3 H2 HT 0.417000 1.0080 0 19521 WAT 1345 TIP3 OH2 OT -0.834000 15.9994 0 19522 WAT 1345 TIP3 H1 HT 0.417000 1.0080 0 19523 WAT 1345 TIP3 H2 HT 0.417000 1.0080 0 19524 WAT 1346 TIP3 OH2 OT -0.834000 15.9994 0 19525 WAT 1346 TIP3 H1 HT 0.417000 1.0080 0 19526 WAT 1346 TIP3 H2 HT 0.417000 1.0080 0 19527 WAT 1347 TIP3 OH2 OT -0.834000 15.9994 0 19528 WAT 1347 TIP3 H1 HT 0.417000 1.0080 0 19529 WAT 1347 TIP3 H2 HT 0.417000 1.0080 0 19530 WAT 1348 TIP3 OH2 OT -0.834000 15.9994 0 19531 WAT 1348 TIP3 H1 HT 0.417000 1.0080 0 19532 WAT 1348 TIP3 H2 HT 0.417000 1.0080 0 19533 WAT 1349 TIP3 OH2 OT -0.834000 15.9994 0 19534 WAT 1349 TIP3 H1 HT 0.417000 1.0080 0 19535 WAT 1349 TIP3 H2 HT 0.417000 1.0080 0 19536 WAT 1350 TIP3 OH2 OT -0.834000 15.9994 0 19537 WAT 1350 TIP3 H1 HT 0.417000 1.0080 0 19538 WAT 1350 TIP3 H2 HT 0.417000 1.0080 0 19539 WAT 1351 TIP3 OH2 OT -0.834000 15.9994 0 19540 WAT 1351 TIP3 H1 HT 0.417000 1.0080 0 19541 WAT 1351 TIP3 H2 HT 0.417000 1.0080 0 19542 WAT 1352 TIP3 OH2 OT -0.834000 15.9994 0 19543 WAT 1352 TIP3 H1 HT 0.417000 1.0080 0 19544 WAT 1352 TIP3 H2 HT 0.417000 1.0080 0 19545 WAT 1353 TIP3 OH2 OT -0.834000 15.9994 0 19546 WAT 1353 TIP3 H1 HT 0.417000 1.0080 0 19547 WAT 1353 TIP3 H2 HT 0.417000 1.0080 0 19548 WAT 1354 TIP3 OH2 OT -0.834000 15.9994 0 19549 WAT 1354 TIP3 H1 HT 0.417000 1.0080 0 19550 WAT 1354 TIP3 H2 HT 0.417000 1.0080 0 19551 WAT 1355 TIP3 OH2 OT -0.834000 15.9994 0 19552 WAT 1355 TIP3 H1 HT 0.417000 1.0080 0 19553 WAT 1355 TIP3 H2 HT 0.417000 1.0080 0 19554 WAT 1356 TIP3 OH2 OT -0.834000 15.9994 0 19555 WAT 1356 TIP3 H1 HT 0.417000 1.0080 0 19556 WAT 1356 TIP3 H2 HT 0.417000 1.0080 0 19557 WAT 1357 TIP3 OH2 OT -0.834000 15.9994 0 19558 WAT 1357 TIP3 H1 HT 0.417000 1.0080 0 19559 WAT 1357 TIP3 H2 HT 0.417000 1.0080 0 19560 WAT 1358 TIP3 OH2 OT -0.834000 15.9994 0 19561 WAT 1358 TIP3 H1 HT 0.417000 1.0080 0 19562 WAT 1358 TIP3 H2 HT 0.417000 1.0080 0 19563 WAT 1359 TIP3 OH2 OT -0.834000 15.9994 0 19564 WAT 1359 TIP3 H1 HT 0.417000 1.0080 0 19565 WAT 1359 TIP3 H2 HT 0.417000 1.0080 0 19566 WAT 1360 TIP3 OH2 OT -0.834000 15.9994 0 19567 WAT 1360 TIP3 H1 HT 0.417000 1.0080 0 19568 WAT 1360 TIP3 H2 HT 0.417000 1.0080 0 19569 WAT 1361 TIP3 OH2 OT -0.834000 15.9994 0 19570 WAT 1361 TIP3 H1 HT 0.417000 1.0080 0 19571 WAT 1361 TIP3 H2 HT 0.417000 1.0080 0 19572 WAT 1362 TIP3 OH2 OT -0.834000 15.9994 0 19573 WAT 1362 TIP3 H1 HT 0.417000 1.0080 0 19574 WAT 1362 TIP3 H2 HT 0.417000 1.0080 0 19575 WAT 1363 TIP3 OH2 OT -0.834000 15.9994 0 19576 WAT 1363 TIP3 H1 HT 0.417000 1.0080 0 19577 WAT 1363 TIP3 H2 HT 0.417000 1.0080 0 19578 WAT 1364 TIP3 OH2 OT -0.834000 15.9994 0 19579 WAT 1364 TIP3 H1 HT 0.417000 1.0080 0 19580 WAT 1364 TIP3 H2 HT 0.417000 1.0080 0 19581 WAT 1365 TIP3 OH2 OT -0.834000 15.9994 0 19582 WAT 1365 TIP3 H1 HT 0.417000 1.0080 0 19583 WAT 1365 TIP3 H2 HT 0.417000 1.0080 0 19584 WAT 1366 TIP3 OH2 OT -0.834000 15.9994 0 19585 WAT 1366 TIP3 H1 HT 0.417000 1.0080 0 19586 WAT 1366 TIP3 H2 HT 0.417000 1.0080 0 19587 WAT 1367 TIP3 OH2 OT -0.834000 15.9994 0 19588 WAT 1367 TIP3 H1 HT 0.417000 1.0080 0 19589 WAT 1367 TIP3 H2 HT 0.417000 1.0080 0 19590 WAT 1368 TIP3 OH2 OT -0.834000 15.9994 0 19591 WAT 1368 TIP3 H1 HT 0.417000 1.0080 0 19592 WAT 1368 TIP3 H2 HT 0.417000 1.0080 0 19593 WAT 1369 TIP3 OH2 OT -0.834000 15.9994 0 19594 WAT 1369 TIP3 H1 HT 0.417000 1.0080 0 19595 WAT 1369 TIP3 H2 HT 0.417000 1.0080 0 19596 WAT 1370 TIP3 OH2 OT -0.834000 15.9994 0 19597 WAT 1370 TIP3 H1 HT 0.417000 1.0080 0 19598 WAT 1370 TIP3 H2 HT 0.417000 1.0080 0 19599 WAT 1371 TIP3 OH2 OT -0.834000 15.9994 0 19600 WAT 1371 TIP3 H1 HT 0.417000 1.0080 0 19601 WAT 1371 TIP3 H2 HT 0.417000 1.0080 0 19602 WAT 1372 TIP3 OH2 OT -0.834000 15.9994 0 19603 WAT 1372 TIP3 H1 HT 0.417000 1.0080 0 19604 WAT 1372 TIP3 H2 HT 0.417000 1.0080 0 19605 WAT 1373 TIP3 OH2 OT -0.834000 15.9994 0 19606 WAT 1373 TIP3 H1 HT 0.417000 1.0080 0 19607 WAT 1373 TIP3 H2 HT 0.417000 1.0080 0 19608 WAT 1374 TIP3 OH2 OT -0.834000 15.9994 0 19609 WAT 1374 TIP3 H1 HT 0.417000 1.0080 0 19610 WAT 1374 TIP3 H2 HT 0.417000 1.0080 0 19611 WAT 1375 TIP3 OH2 OT -0.834000 15.9994 0 19612 WAT 1375 TIP3 H1 HT 0.417000 1.0080 0 19613 WAT 1375 TIP3 H2 HT 0.417000 1.0080 0 19614 WAT 1376 TIP3 OH2 OT -0.834000 15.9994 0 19615 WAT 1376 TIP3 H1 HT 0.417000 1.0080 0 19616 WAT 1376 TIP3 H2 HT 0.417000 1.0080 0 19617 WAT 1377 TIP3 OH2 OT -0.834000 15.9994 0 19618 WAT 1377 TIP3 H1 HT 0.417000 1.0080 0 19619 WAT 1377 TIP3 H2 HT 0.417000 1.0080 0 19620 WAT 1378 TIP3 OH2 OT -0.834000 15.9994 0 19621 WAT 1378 TIP3 H1 HT 0.417000 1.0080 0 19622 WAT 1378 TIP3 H2 HT 0.417000 1.0080 0 19623 WAT 1379 TIP3 OH2 OT -0.834000 15.9994 0 19624 WAT 1379 TIP3 H1 HT 0.417000 1.0080 0 19625 WAT 1379 TIP3 H2 HT 0.417000 1.0080 0 19626 WAT 1380 TIP3 OH2 OT -0.834000 15.9994 0 19627 WAT 1380 TIP3 H1 HT 0.417000 1.0080 0 19628 WAT 1380 TIP3 H2 HT 0.417000 1.0080 0 19629 WAT 1381 TIP3 OH2 OT -0.834000 15.9994 0 19630 WAT 1381 TIP3 H1 HT 0.417000 1.0080 0 19631 WAT 1381 TIP3 H2 HT 0.417000 1.0080 0 19632 WAT 1382 TIP3 OH2 OT -0.834000 15.9994 0 19633 WAT 1382 TIP3 H1 HT 0.417000 1.0080 0 19634 WAT 1382 TIP3 H2 HT 0.417000 1.0080 0 19635 WAT 1383 TIP3 OH2 OT -0.834000 15.9994 0 19636 WAT 1383 TIP3 H1 HT 0.417000 1.0080 0 19637 WAT 1383 TIP3 H2 HT 0.417000 1.0080 0 19638 WAT 1384 TIP3 OH2 OT -0.834000 15.9994 0 19639 WAT 1384 TIP3 H1 HT 0.417000 1.0080 0 19640 WAT 1384 TIP3 H2 HT 0.417000 1.0080 0 19641 WAT 1385 TIP3 OH2 OT -0.834000 15.9994 0 19642 WAT 1385 TIP3 H1 HT 0.417000 1.0080 0 19643 WAT 1385 TIP3 H2 HT 0.417000 1.0080 0 19644 WAT 1386 TIP3 OH2 OT -0.834000 15.9994 0 19645 WAT 1386 TIP3 H1 HT 0.417000 1.0080 0 19646 WAT 1386 TIP3 H2 HT 0.417000 1.0080 0 19647 WAT 1387 TIP3 OH2 OT -0.834000 15.9994 0 19648 WAT 1387 TIP3 H1 HT 0.417000 1.0080 0 19649 WAT 1387 TIP3 H2 HT 0.417000 1.0080 0 19650 WAT 1388 TIP3 OH2 OT -0.834000 15.9994 0 19651 WAT 1388 TIP3 H1 HT 0.417000 1.0080 0 19652 WAT 1388 TIP3 H2 HT 0.417000 1.0080 0 19653 WAT 1389 TIP3 OH2 OT -0.834000 15.9994 0 19654 WAT 1389 TIP3 H1 HT 0.417000 1.0080 0 19655 WAT 1389 TIP3 H2 HT 0.417000 1.0080 0 19656 WAT 1390 TIP3 OH2 OT -0.834000 15.9994 0 19657 WAT 1390 TIP3 H1 HT 0.417000 1.0080 0 19658 WAT 1390 TIP3 H2 HT 0.417000 1.0080 0 19659 WAT 1391 TIP3 OH2 OT -0.834000 15.9994 0 19660 WAT 1391 TIP3 H1 HT 0.417000 1.0080 0 19661 WAT 1391 TIP3 H2 HT 0.417000 1.0080 0 19662 WAT 1392 TIP3 OH2 OT -0.834000 15.9994 0 19663 WAT 1392 TIP3 H1 HT 0.417000 1.0080 0 19664 WAT 1392 TIP3 H2 HT 0.417000 1.0080 0 19665 WAT 1393 TIP3 OH2 OT -0.834000 15.9994 0 19666 WAT 1393 TIP3 H1 HT 0.417000 1.0080 0 19667 WAT 1393 TIP3 H2 HT 0.417000 1.0080 0 19668 WAT 1394 TIP3 OH2 OT -0.834000 15.9994 0 19669 WAT 1394 TIP3 H1 HT 0.417000 1.0080 0 19670 WAT 1394 TIP3 H2 HT 0.417000 1.0080 0 19671 WAT 1395 TIP3 OH2 OT -0.834000 15.9994 0 19672 WAT 1395 TIP3 H1 HT 0.417000 1.0080 0 19673 WAT 1395 TIP3 H2 HT 0.417000 1.0080 0 19674 WAT 1396 TIP3 OH2 OT -0.834000 15.9994 0 19675 WAT 1396 TIP3 H1 HT 0.417000 1.0080 0 19676 WAT 1396 TIP3 H2 HT 0.417000 1.0080 0 19677 WAT 1397 TIP3 OH2 OT -0.834000 15.9994 0 19678 WAT 1397 TIP3 H1 HT 0.417000 1.0080 0 19679 WAT 1397 TIP3 H2 HT 0.417000 1.0080 0 19680 WAT 1398 TIP3 OH2 OT -0.834000 15.9994 0 19681 WAT 1398 TIP3 H1 HT 0.417000 1.0080 0 19682 WAT 1398 TIP3 H2 HT 0.417000 1.0080 0 19683 WAT 1399 TIP3 OH2 OT -0.834000 15.9994 0 19684 WAT 1399 TIP3 H1 HT 0.417000 1.0080 0 19685 WAT 1399 TIP3 H2 HT 0.417000 1.0080 0 19686 WAT 1400 TIP3 OH2 OT -0.834000 15.9994 0 19687 WAT 1400 TIP3 H1 HT 0.417000 1.0080 0 19688 WAT 1400 TIP3 H2 HT 0.417000 1.0080 0 19689 WAT 1401 TIP3 OH2 OT -0.834000 15.9994 0 19690 WAT 1401 TIP3 H1 HT 0.417000 1.0080 0 19691 WAT 1401 TIP3 H2 HT 0.417000 1.0080 0 19692 WAT 1402 TIP3 OH2 OT -0.834000 15.9994 0 19693 WAT 1402 TIP3 H1 HT 0.417000 1.0080 0 19694 WAT 1402 TIP3 H2 HT 0.417000 1.0080 0 19695 WAT 1403 TIP3 OH2 OT -0.834000 15.9994 0 19696 WAT 1403 TIP3 H1 HT 0.417000 1.0080 0 19697 WAT 1403 TIP3 H2 HT 0.417000 1.0080 0 19698 WAT 1404 TIP3 OH2 OT -0.834000 15.9994 0 19699 WAT 1404 TIP3 H1 HT 0.417000 1.0080 0 19700 WAT 1404 TIP3 H2 HT 0.417000 1.0080 0 19701 WAT 1405 TIP3 OH2 OT -0.834000 15.9994 0 19702 WAT 1405 TIP3 H1 HT 0.417000 1.0080 0 19703 WAT 1405 TIP3 H2 HT 0.417000 1.0080 0 19704 WAT 1406 TIP3 OH2 OT -0.834000 15.9994 0 19705 WAT 1406 TIP3 H1 HT 0.417000 1.0080 0 19706 WAT 1406 TIP3 H2 HT 0.417000 1.0080 0 19707 WAT 1407 TIP3 OH2 OT -0.834000 15.9994 0 19708 WAT 1407 TIP3 H1 HT 0.417000 1.0080 0 19709 WAT 1407 TIP3 H2 HT 0.417000 1.0080 0 19710 WAT 1408 TIP3 OH2 OT -0.834000 15.9994 0 19711 WAT 1408 TIP3 H1 HT 0.417000 1.0080 0 19712 WAT 1408 TIP3 H2 HT 0.417000 1.0080 0 19713 WAT 1409 TIP3 OH2 OT -0.834000 15.9994 0 19714 WAT 1409 TIP3 H1 HT 0.417000 1.0080 0 19715 WAT 1409 TIP3 H2 HT 0.417000 1.0080 0 19716 WAT 1410 TIP3 OH2 OT -0.834000 15.9994 0 19717 WAT 1410 TIP3 H1 HT 0.417000 1.0080 0 19718 WAT 1410 TIP3 H2 HT 0.417000 1.0080 0 19719 WAT 1411 TIP3 OH2 OT -0.834000 15.9994 0 19720 WAT 1411 TIP3 H1 HT 0.417000 1.0080 0 19721 WAT 1411 TIP3 H2 HT 0.417000 1.0080 0 19722 WAT 1412 TIP3 OH2 OT -0.834000 15.9994 0 19723 WAT 1412 TIP3 H1 HT 0.417000 1.0080 0 19724 WAT 1412 TIP3 H2 HT 0.417000 1.0080 0 19725 WAT 1413 TIP3 OH2 OT -0.834000 15.9994 0 19726 WAT 1413 TIP3 H1 HT 0.417000 1.0080 0 19727 WAT 1413 TIP3 H2 HT 0.417000 1.0080 0 19728 WAT 1414 TIP3 OH2 OT -0.834000 15.9994 0 19729 WAT 1414 TIP3 H1 HT 0.417000 1.0080 0 19730 WAT 1414 TIP3 H2 HT 0.417000 1.0080 0 19731 WAT 1415 TIP3 OH2 OT -0.834000 15.9994 0 19732 WAT 1415 TIP3 H1 HT 0.417000 1.0080 0 19733 WAT 1415 TIP3 H2 HT 0.417000 1.0080 0 19734 WAT 1416 TIP3 OH2 OT -0.834000 15.9994 0 19735 WAT 1416 TIP3 H1 HT 0.417000 1.0080 0 19736 WAT 1416 TIP3 H2 HT 0.417000 1.0080 0 19737 WAT 1417 TIP3 OH2 OT -0.834000 15.9994 0 19738 WAT 1417 TIP3 H1 HT 0.417000 1.0080 0 19739 WAT 1417 TIP3 H2 HT 0.417000 1.0080 0 19740 WAT 1418 TIP3 OH2 OT -0.834000 15.9994 0 19741 WAT 1418 TIP3 H1 HT 0.417000 1.0080 0 19742 WAT 1418 TIP3 H2 HT 0.417000 1.0080 0 19743 WAT 1419 TIP3 OH2 OT -0.834000 15.9994 0 19744 WAT 1419 TIP3 H1 HT 0.417000 1.0080 0 19745 WAT 1419 TIP3 H2 HT 0.417000 1.0080 0 19746 WAT 1420 TIP3 OH2 OT -0.834000 15.9994 0 19747 WAT 1420 TIP3 H1 HT 0.417000 1.0080 0 19748 WAT 1420 TIP3 H2 HT 0.417000 1.0080 0 19749 WAT 1421 TIP3 OH2 OT -0.834000 15.9994 0 19750 WAT 1421 TIP3 H1 HT 0.417000 1.0080 0 19751 WAT 1421 TIP3 H2 HT 0.417000 1.0080 0 19752 WAT 1422 TIP3 OH2 OT -0.834000 15.9994 0 19753 WAT 1422 TIP3 H1 HT 0.417000 1.0080 0 19754 WAT 1422 TIP3 H2 HT 0.417000 1.0080 0 19755 WAT 1423 TIP3 OH2 OT -0.834000 15.9994 0 19756 WAT 1423 TIP3 H1 HT 0.417000 1.0080 0 19757 WAT 1423 TIP3 H2 HT 0.417000 1.0080 0 19758 WAT 1424 TIP3 OH2 OT -0.834000 15.9994 0 19759 WAT 1424 TIP3 H1 HT 0.417000 1.0080 0 19760 WAT 1424 TIP3 H2 HT 0.417000 1.0080 0 19761 WAT 1425 TIP3 OH2 OT -0.834000 15.9994 0 19762 WAT 1425 TIP3 H1 HT 0.417000 1.0080 0 19763 WAT 1425 TIP3 H2 HT 0.417000 1.0080 0 19764 WAT 1426 TIP3 OH2 OT -0.834000 15.9994 0 19765 WAT 1426 TIP3 H1 HT 0.417000 1.0080 0 19766 WAT 1426 TIP3 H2 HT 0.417000 1.0080 0 19767 WAT 1427 TIP3 OH2 OT -0.834000 15.9994 0 19768 WAT 1427 TIP3 H1 HT 0.417000 1.0080 0 19769 WAT 1427 TIP3 H2 HT 0.417000 1.0080 0 19770 WAT 1428 TIP3 OH2 OT -0.834000 15.9994 0 19771 WAT 1428 TIP3 H1 HT 0.417000 1.0080 0 19772 WAT 1428 TIP3 H2 HT 0.417000 1.0080 0 19773 WAT 1429 TIP3 OH2 OT -0.834000 15.9994 0 19774 WAT 1429 TIP3 H1 HT 0.417000 1.0080 0 19775 WAT 1429 TIP3 H2 HT 0.417000 1.0080 0 19776 WAT 1430 TIP3 OH2 OT -0.834000 15.9994 0 19777 WAT 1430 TIP3 H1 HT 0.417000 1.0080 0 19778 WAT 1430 TIP3 H2 HT 0.417000 1.0080 0 19779 WAT 1431 TIP3 OH2 OT -0.834000 15.9994 0 19780 WAT 1431 TIP3 H1 HT 0.417000 1.0080 0 19781 WAT 1431 TIP3 H2 HT 0.417000 1.0080 0 19782 WAT 1432 TIP3 OH2 OT -0.834000 15.9994 0 19783 WAT 1432 TIP3 H1 HT 0.417000 1.0080 0 19784 WAT 1432 TIP3 H2 HT 0.417000 1.0080 0 19785 WAT 1433 TIP3 OH2 OT -0.834000 15.9994 0 19786 WAT 1433 TIP3 H1 HT 0.417000 1.0080 0 19787 WAT 1433 TIP3 H2 HT 0.417000 1.0080 0 19788 WAT 1434 TIP3 OH2 OT -0.834000 15.9994 0 19789 WAT 1434 TIP3 H1 HT 0.417000 1.0080 0 19790 WAT 1434 TIP3 H2 HT 0.417000 1.0080 0 19791 WAT 1435 TIP3 OH2 OT -0.834000 15.9994 0 19792 WAT 1435 TIP3 H1 HT 0.417000 1.0080 0 19793 WAT 1435 TIP3 H2 HT 0.417000 1.0080 0 19794 WAT 1436 TIP3 OH2 OT -0.834000 15.9994 0 19795 WAT 1436 TIP3 H1 HT 0.417000 1.0080 0 19796 WAT 1436 TIP3 H2 HT 0.417000 1.0080 0 19797 WAT 1437 TIP3 OH2 OT -0.834000 15.9994 0 19798 WAT 1437 TIP3 H1 HT 0.417000 1.0080 0 19799 WAT 1437 TIP3 H2 HT 0.417000 1.0080 0 19800 WAT 1438 TIP3 OH2 OT -0.834000 15.9994 0 19801 WAT 1438 TIP3 H1 HT 0.417000 1.0080 0 19802 WAT 1438 TIP3 H2 HT 0.417000 1.0080 0 19803 WAT 1439 TIP3 OH2 OT -0.834000 15.9994 0 19804 WAT 1439 TIP3 H1 HT 0.417000 1.0080 0 19805 WAT 1439 TIP3 H2 HT 0.417000 1.0080 0 19806 WAT 1440 TIP3 OH2 OT -0.834000 15.9994 0 19807 WAT 1440 TIP3 H1 HT 0.417000 1.0080 0 19808 WAT 1440 TIP3 H2 HT 0.417000 1.0080 0 19809 WAT 1441 TIP3 OH2 OT -0.834000 15.9994 0 19810 WAT 1441 TIP3 H1 HT 0.417000 1.0080 0 19811 WAT 1441 TIP3 H2 HT 0.417000 1.0080 0 19812 WAT 1442 TIP3 OH2 OT -0.834000 15.9994 0 19813 WAT 1442 TIP3 H1 HT 0.417000 1.0080 0 19814 WAT 1442 TIP3 H2 HT 0.417000 1.0080 0 19815 WAT 1443 TIP3 OH2 OT -0.834000 15.9994 0 19816 WAT 1443 TIP3 H1 HT 0.417000 1.0080 0 19817 WAT 1443 TIP3 H2 HT 0.417000 1.0080 0 19818 WAT 1444 TIP3 OH2 OT -0.834000 15.9994 0 19819 WAT 1444 TIP3 H1 HT 0.417000 1.0080 0 19820 WAT 1444 TIP3 H2 HT 0.417000 1.0080 0 19821 WAT 1445 TIP3 OH2 OT -0.834000 15.9994 0 19822 WAT 1445 TIP3 H1 HT 0.417000 1.0080 0 19823 WAT 1445 TIP3 H2 HT 0.417000 1.0080 0 19824 WAT 1446 TIP3 OH2 OT -0.834000 15.9994 0 19825 WAT 1446 TIP3 H1 HT 0.417000 1.0080 0 19826 WAT 1446 TIP3 H2 HT 0.417000 1.0080 0 19827 WAT 1447 TIP3 OH2 OT -0.834000 15.9994 0 19828 WAT 1447 TIP3 H1 HT 0.417000 1.0080 0 19829 WAT 1447 TIP3 H2 HT 0.417000 1.0080 0 19830 WAT 1448 TIP3 OH2 OT -0.834000 15.9994 0 19831 WAT 1448 TIP3 H1 HT 0.417000 1.0080 0 19832 WAT 1448 TIP3 H2 HT 0.417000 1.0080 0 19833 WAT 1449 TIP3 OH2 OT -0.834000 15.9994 0 19834 WAT 1449 TIP3 H1 HT 0.417000 1.0080 0 19835 WAT 1449 TIP3 H2 HT 0.417000 1.0080 0 19836 WAT 1450 TIP3 OH2 OT -0.834000 15.9994 0 19837 WAT 1450 TIP3 H1 HT 0.417000 1.0080 0 19838 WAT 1450 TIP3 H2 HT 0.417000 1.0080 0 19839 WAT 1451 TIP3 OH2 OT -0.834000 15.9994 0 19840 WAT 1451 TIP3 H1 HT 0.417000 1.0080 0 19841 WAT 1451 TIP3 H2 HT 0.417000 1.0080 0 19842 WAT 1452 TIP3 OH2 OT -0.834000 15.9994 0 19843 WAT 1452 TIP3 H1 HT 0.417000 1.0080 0 19844 WAT 1452 TIP3 H2 HT 0.417000 1.0080 0 19845 WAT 1453 TIP3 OH2 OT -0.834000 15.9994 0 19846 WAT 1453 TIP3 H1 HT 0.417000 1.0080 0 19847 WAT 1453 TIP3 H2 HT 0.417000 1.0080 0 19848 WAT 1454 TIP3 OH2 OT -0.834000 15.9994 0 19849 WAT 1454 TIP3 H1 HT 0.417000 1.0080 0 19850 WAT 1454 TIP3 H2 HT 0.417000 1.0080 0 19851 WAT 1455 TIP3 OH2 OT -0.834000 15.9994 0 19852 WAT 1455 TIP3 H1 HT 0.417000 1.0080 0 19853 WAT 1455 TIP3 H2 HT 0.417000 1.0080 0 19854 WAT 1456 TIP3 OH2 OT -0.834000 15.9994 0 19855 WAT 1456 TIP3 H1 HT 0.417000 1.0080 0 19856 WAT 1456 TIP3 H2 HT 0.417000 1.0080 0 19857 WAT 1457 TIP3 OH2 OT -0.834000 15.9994 0 19858 WAT 1457 TIP3 H1 HT 0.417000 1.0080 0 19859 WAT 1457 TIP3 H2 HT 0.417000 1.0080 0 19860 WAT 1458 TIP3 OH2 OT -0.834000 15.9994 0 19861 WAT 1458 TIP3 H1 HT 0.417000 1.0080 0 19862 WAT 1458 TIP3 H2 HT 0.417000 1.0080 0 19863 WAT 1459 TIP3 OH2 OT -0.834000 15.9994 0 19864 WAT 1459 TIP3 H1 HT 0.417000 1.0080 0 19865 WAT 1459 TIP3 H2 HT 0.417000 1.0080 0 19866 WAT 1460 TIP3 OH2 OT -0.834000 15.9994 0 19867 WAT 1460 TIP3 H1 HT 0.417000 1.0080 0 19868 WAT 1460 TIP3 H2 HT 0.417000 1.0080 0 19869 WAT 1461 TIP3 OH2 OT -0.834000 15.9994 0 19870 WAT 1461 TIP3 H1 HT 0.417000 1.0080 0 19871 WAT 1461 TIP3 H2 HT 0.417000 1.0080 0 19872 WAT 1462 TIP3 OH2 OT -0.834000 15.9994 0 19873 WAT 1462 TIP3 H1 HT 0.417000 1.0080 0 19874 WAT 1462 TIP3 H2 HT 0.417000 1.0080 0 19875 WAT 1463 TIP3 OH2 OT -0.834000 15.9994 0 19876 WAT 1463 TIP3 H1 HT 0.417000 1.0080 0 19877 WAT 1463 TIP3 H2 HT 0.417000 1.0080 0 19878 WAT 1464 TIP3 OH2 OT -0.834000 15.9994 0 19879 WAT 1464 TIP3 H1 HT 0.417000 1.0080 0 19880 WAT 1464 TIP3 H2 HT 0.417000 1.0080 0 19881 WAT 1465 TIP3 OH2 OT -0.834000 15.9994 0 19882 WAT 1465 TIP3 H1 HT 0.417000 1.0080 0 19883 WAT 1465 TIP3 H2 HT 0.417000 1.0080 0 19884 WAT 1466 TIP3 OH2 OT -0.834000 15.9994 0 19885 WAT 1466 TIP3 H1 HT 0.417000 1.0080 0 19886 WAT 1466 TIP3 H2 HT 0.417000 1.0080 0 19887 WAT 1467 TIP3 OH2 OT -0.834000 15.9994 0 19888 WAT 1467 TIP3 H1 HT 0.417000 1.0080 0 19889 WAT 1467 TIP3 H2 HT 0.417000 1.0080 0 19890 WAT 1468 TIP3 OH2 OT -0.834000 15.9994 0 19891 WAT 1468 TIP3 H1 HT 0.417000 1.0080 0 19892 WAT 1468 TIP3 H2 HT 0.417000 1.0080 0 19893 WAT 1469 TIP3 OH2 OT -0.834000 15.9994 0 19894 WAT 1469 TIP3 H1 HT 0.417000 1.0080 0 19895 WAT 1469 TIP3 H2 HT 0.417000 1.0080 0 19896 WAT 1470 TIP3 OH2 OT -0.834000 15.9994 0 19897 WAT 1470 TIP3 H1 HT 0.417000 1.0080 0 19898 WAT 1470 TIP3 H2 HT 0.417000 1.0080 0 19899 WAT 1471 TIP3 OH2 OT -0.834000 15.9994 0 19900 WAT 1471 TIP3 H1 HT 0.417000 1.0080 0 19901 WAT 1471 TIP3 H2 HT 0.417000 1.0080 0 19902 WAT 1472 TIP3 OH2 OT -0.834000 15.9994 0 19903 WAT 1472 TIP3 H1 HT 0.417000 1.0080 0 19904 WAT 1472 TIP3 H2 HT 0.417000 1.0080 0 19905 WAT 1473 TIP3 OH2 OT -0.834000 15.9994 0 19906 WAT 1473 TIP3 H1 HT 0.417000 1.0080 0 19907 WAT 1473 TIP3 H2 HT 0.417000 1.0080 0 19908 WAT 1474 TIP3 OH2 OT -0.834000 15.9994 0 19909 WAT 1474 TIP3 H1 HT 0.417000 1.0080 0 19910 WAT 1474 TIP3 H2 HT 0.417000 1.0080 0 19911 WAT 1475 TIP3 OH2 OT -0.834000 15.9994 0 19912 WAT 1475 TIP3 H1 HT 0.417000 1.0080 0 19913 WAT 1475 TIP3 H2 HT 0.417000 1.0080 0 19914 WAT 1476 TIP3 OH2 OT -0.834000 15.9994 0 19915 WAT 1476 TIP3 H1 HT 0.417000 1.0080 0 19916 WAT 1476 TIP3 H2 HT 0.417000 1.0080 0 19917 WAT 1477 TIP3 OH2 OT -0.834000 15.9994 0 19918 WAT 1477 TIP3 H1 HT 0.417000 1.0080 0 19919 WAT 1477 TIP3 H2 HT 0.417000 1.0080 0 19920 WAT 1478 TIP3 OH2 OT -0.834000 15.9994 0 19921 WAT 1478 TIP3 H1 HT 0.417000 1.0080 0 19922 WAT 1478 TIP3 H2 HT 0.417000 1.0080 0 19923 WAT 1479 TIP3 OH2 OT -0.834000 15.9994 0 19924 WAT 1479 TIP3 H1 HT 0.417000 1.0080 0 19925 WAT 1479 TIP3 H2 HT 0.417000 1.0080 0 19926 WAT 1480 TIP3 OH2 OT -0.834000 15.9994 0 19927 WAT 1480 TIP3 H1 HT 0.417000 1.0080 0 19928 WAT 1480 TIP3 H2 HT 0.417000 1.0080 0 19929 WAT 1481 TIP3 OH2 OT -0.834000 15.9994 0 19930 WAT 1481 TIP3 H1 HT 0.417000 1.0080 0 19931 WAT 1481 TIP3 H2 HT 0.417000 1.0080 0 19932 WAT 1482 TIP3 OH2 OT -0.834000 15.9994 0 19933 WAT 1482 TIP3 H1 HT 0.417000 1.0080 0 19934 WAT 1482 TIP3 H2 HT 0.417000 1.0080 0 19935 WAT 1483 TIP3 OH2 OT -0.834000 15.9994 0 19936 WAT 1483 TIP3 H1 HT 0.417000 1.0080 0 19937 WAT 1483 TIP3 H2 HT 0.417000 1.0080 0 19938 WAT 1484 TIP3 OH2 OT -0.834000 15.9994 0 19939 WAT 1484 TIP3 H1 HT 0.417000 1.0080 0 19940 WAT 1484 TIP3 H2 HT 0.417000 1.0080 0 19941 WAT 1485 TIP3 OH2 OT -0.834000 15.9994 0 19942 WAT 1485 TIP3 H1 HT 0.417000 1.0080 0 19943 WAT 1485 TIP3 H2 HT 0.417000 1.0080 0 19944 WAT 1486 TIP3 OH2 OT -0.834000 15.9994 0 19945 WAT 1486 TIP3 H1 HT 0.417000 1.0080 0 19946 WAT 1486 TIP3 H2 HT 0.417000 1.0080 0 19947 WAT 1487 TIP3 OH2 OT -0.834000 15.9994 0 19948 WAT 1487 TIP3 H1 HT 0.417000 1.0080 0 19949 WAT 1487 TIP3 H2 HT 0.417000 1.0080 0 19950 WAT 1488 TIP3 OH2 OT -0.834000 15.9994 0 19951 WAT 1488 TIP3 H1 HT 0.417000 1.0080 0 19952 WAT 1488 TIP3 H2 HT 0.417000 1.0080 0 19953 WAT 1489 TIP3 OH2 OT -0.834000 15.9994 0 19954 WAT 1489 TIP3 H1 HT 0.417000 1.0080 0 19955 WAT 1489 TIP3 H2 HT 0.417000 1.0080 0 19956 WAT 1490 TIP3 OH2 OT -0.834000 15.9994 0 19957 WAT 1490 TIP3 H1 HT 0.417000 1.0080 0 19958 WAT 1490 TIP3 H2 HT 0.417000 1.0080 0 19959 WAT 1491 TIP3 OH2 OT -0.834000 15.9994 0 19960 WAT 1491 TIP3 H1 HT 0.417000 1.0080 0 19961 WAT 1491 TIP3 H2 HT 0.417000 1.0080 0 19962 WAT 1492 TIP3 OH2 OT -0.834000 15.9994 0 19963 WAT 1492 TIP3 H1 HT 0.417000 1.0080 0 19964 WAT 1492 TIP3 H2 HT 0.417000 1.0080 0 19965 WAT 1493 TIP3 OH2 OT -0.834000 15.9994 0 19966 WAT 1493 TIP3 H1 HT 0.417000 1.0080 0 19967 WAT 1493 TIP3 H2 HT 0.417000 1.0080 0 19968 WAT 1494 TIP3 OH2 OT -0.834000 15.9994 0 19969 WAT 1494 TIP3 H1 HT 0.417000 1.0080 0 19970 WAT 1494 TIP3 H2 HT 0.417000 1.0080 0 19971 WAT 1495 TIP3 OH2 OT -0.834000 15.9994 0 19972 WAT 1495 TIP3 H1 HT 0.417000 1.0080 0 19973 WAT 1495 TIP3 H2 HT 0.417000 1.0080 0 19974 WAT 1496 TIP3 OH2 OT -0.834000 15.9994 0 19975 WAT 1496 TIP3 H1 HT 0.417000 1.0080 0 19976 WAT 1496 TIP3 H2 HT 0.417000 1.0080 0 19977 WAT 1497 TIP3 OH2 OT -0.834000 15.9994 0 19978 WAT 1497 TIP3 H1 HT 0.417000 1.0080 0 19979 WAT 1497 TIP3 H2 HT 0.417000 1.0080 0 19980 WAT 1498 TIP3 OH2 OT -0.834000 15.9994 0 19981 WAT 1498 TIP3 H1 HT 0.417000 1.0080 0 19982 WAT 1498 TIP3 H2 HT 0.417000 1.0080 0 19983 WAT 1499 TIP3 OH2 OT -0.834000 15.9994 0 19984 WAT 1499 TIP3 H1 HT 0.417000 1.0080 0 19985 WAT 1499 TIP3 H2 HT 0.417000 1.0080 0 19986 WAT 1500 TIP3 OH2 OT -0.834000 15.9994 0 19987 WAT 1500 TIP3 H1 HT 0.417000 1.0080 0 19988 WAT 1500 TIP3 H2 HT 0.417000 1.0080 0 19989 WAT 1501 TIP3 OH2 OT -0.834000 15.9994 0 19990 WAT 1501 TIP3 H1 HT 0.417000 1.0080 0 19991 WAT 1501 TIP3 H2 HT 0.417000 1.0080 0 19992 WAT 1502 TIP3 OH2 OT -0.834000 15.9994 0 19993 WAT 1502 TIP3 H1 HT 0.417000 1.0080 0 19994 WAT 1502 TIP3 H2 HT 0.417000 1.0080 0 19995 WAT 1503 TIP3 OH2 OT -0.834000 15.9994 0 19996 WAT 1503 TIP3 H1 HT 0.417000 1.0080 0 19997 WAT 1503 TIP3 H2 HT 0.417000 1.0080 0 19998 WAT 1504 TIP3 OH2 OT -0.834000 15.9994 0 19999 WAT 1504 TIP3 H1 HT 0.417000 1.0080 0 20000 WAT 1504 TIP3 H2 HT 0.417000 1.0080 0 20001 WAT 1505 TIP3 OH2 OT -0.834000 15.9994 0 20002 WAT 1505 TIP3 H1 HT 0.417000 1.0080 0 20003 WAT 1505 TIP3 H2 HT 0.417000 1.0080 0 20004 WAT 1506 TIP3 OH2 OT -0.834000 15.9994 0 20005 WAT 1506 TIP3 H1 HT 0.417000 1.0080 0 20006 WAT 1506 TIP3 H2 HT 0.417000 1.0080 0 20007 WAT 1507 TIP3 OH2 OT -0.834000 15.9994 0 20008 WAT 1507 TIP3 H1 HT 0.417000 1.0080 0 20009 WAT 1507 TIP3 H2 HT 0.417000 1.0080 0 20010 WAT 1508 TIP3 OH2 OT -0.834000 15.9994 0 20011 WAT 1508 TIP3 H1 HT 0.417000 1.0080 0 20012 WAT 1508 TIP3 H2 HT 0.417000 1.0080 0 20013 WAT 1509 TIP3 OH2 OT -0.834000 15.9994 0 20014 WAT 1509 TIP3 H1 HT 0.417000 1.0080 0 20015 WAT 1509 TIP3 H2 HT 0.417000 1.0080 0 20016 WAT 1510 TIP3 OH2 OT -0.834000 15.9994 0 20017 WAT 1510 TIP3 H1 HT 0.417000 1.0080 0 20018 WAT 1510 TIP3 H2 HT 0.417000 1.0080 0 20019 WAT 1511 TIP3 OH2 OT -0.834000 15.9994 0 20020 WAT 1511 TIP3 H1 HT 0.417000 1.0080 0 20021 WAT 1511 TIP3 H2 HT 0.417000 1.0080 0 20022 WAT 1512 TIP3 OH2 OT -0.834000 15.9994 0 20023 WAT 1512 TIP3 H1 HT 0.417000 1.0080 0 20024 WAT 1512 TIP3 H2 HT 0.417000 1.0080 0 20025 WAT 1513 TIP3 OH2 OT -0.834000 15.9994 0 20026 WAT 1513 TIP3 H1 HT 0.417000 1.0080 0 20027 WAT 1513 TIP3 H2 HT 0.417000 1.0080 0 20028 WAT 1514 TIP3 OH2 OT -0.834000 15.9994 0 20029 WAT 1514 TIP3 H1 HT 0.417000 1.0080 0 20030 WAT 1514 TIP3 H2 HT 0.417000 1.0080 0 20031 WAT 1515 TIP3 OH2 OT -0.834000 15.9994 0 20032 WAT 1515 TIP3 H1 HT 0.417000 1.0080 0 20033 WAT 1515 TIP3 H2 HT 0.417000 1.0080 0 20034 WAT 1516 TIP3 OH2 OT -0.834000 15.9994 0 20035 WAT 1516 TIP3 H1 HT 0.417000 1.0080 0 20036 WAT 1516 TIP3 H2 HT 0.417000 1.0080 0 20037 WAT 1517 TIP3 OH2 OT -0.834000 15.9994 0 20038 WAT 1517 TIP3 H1 HT 0.417000 1.0080 0 20039 WAT 1517 TIP3 H2 HT 0.417000 1.0080 0 20040 WAT 1518 TIP3 OH2 OT -0.834000 15.9994 0 20041 WAT 1518 TIP3 H1 HT 0.417000 1.0080 0 20042 WAT 1518 TIP3 H2 HT 0.417000 1.0080 0 20043 WAT 1519 TIP3 OH2 OT -0.834000 15.9994 0 20044 WAT 1519 TIP3 H1 HT 0.417000 1.0080 0 20045 WAT 1519 TIP3 H2 HT 0.417000 1.0080 0 20046 WAT 1520 TIP3 OH2 OT -0.834000 15.9994 0 20047 WAT 1520 TIP3 H1 HT 0.417000 1.0080 0 20048 WAT 1520 TIP3 H2 HT 0.417000 1.0080 0 20049 WAT 1521 TIP3 OH2 OT -0.834000 15.9994 0 20050 WAT 1521 TIP3 H1 HT 0.417000 1.0080 0 20051 WAT 1521 TIP3 H2 HT 0.417000 1.0080 0 20052 WAT 1522 TIP3 OH2 OT -0.834000 15.9994 0 20053 WAT 1522 TIP3 H1 HT 0.417000 1.0080 0 20054 WAT 1522 TIP3 H2 HT 0.417000 1.0080 0 20055 WAT 1523 TIP3 OH2 OT -0.834000 15.9994 0 20056 WAT 1523 TIP3 H1 HT 0.417000 1.0080 0 20057 WAT 1523 TIP3 H2 HT 0.417000 1.0080 0 20058 WAT 1524 TIP3 OH2 OT -0.834000 15.9994 0 20059 WAT 1524 TIP3 H1 HT 0.417000 1.0080 0 20060 WAT 1524 TIP3 H2 HT 0.417000 1.0080 0 20061 WAT 1525 TIP3 OH2 OT -0.834000 15.9994 0 20062 WAT 1525 TIP3 H1 HT 0.417000 1.0080 0 20063 WAT 1525 TIP3 H2 HT 0.417000 1.0080 0 20064 WAT 1526 TIP3 OH2 OT -0.834000 15.9994 0 20065 WAT 1526 TIP3 H1 HT 0.417000 1.0080 0 20066 WAT 1526 TIP3 H2 HT 0.417000 1.0080 0 20067 WAT 1527 TIP3 OH2 OT -0.834000 15.9994 0 20068 WAT 1527 TIP3 H1 HT 0.417000 1.0080 0 20069 WAT 1527 TIP3 H2 HT 0.417000 1.0080 0 20070 WAT 1528 TIP3 OH2 OT -0.834000 15.9994 0 20071 WAT 1528 TIP3 H1 HT 0.417000 1.0080 0 20072 WAT 1528 TIP3 H2 HT 0.417000 1.0080 0 20073 WAT 1529 TIP3 OH2 OT -0.834000 15.9994 0 20074 WAT 1529 TIP3 H1 HT 0.417000 1.0080 0 20075 WAT 1529 TIP3 H2 HT 0.417000 1.0080 0 20076 WAT 1530 TIP3 OH2 OT -0.834000 15.9994 0 20077 WAT 1530 TIP3 H1 HT 0.417000 1.0080 0 20078 WAT 1530 TIP3 H2 HT 0.417000 1.0080 0 20079 WAT 1531 TIP3 OH2 OT -0.834000 15.9994 0 20080 WAT 1531 TIP3 H1 HT 0.417000 1.0080 0 20081 WAT 1531 TIP3 H2 HT 0.417000 1.0080 0 20082 WAT 1532 TIP3 OH2 OT -0.834000 15.9994 0 20083 WAT 1532 TIP3 H1 HT 0.417000 1.0080 0 20084 WAT 1532 TIP3 H2 HT 0.417000 1.0080 0 20085 WAT 1533 TIP3 OH2 OT -0.834000 15.9994 0 20086 WAT 1533 TIP3 H1 HT 0.417000 1.0080 0 20087 WAT 1533 TIP3 H2 HT 0.417000 1.0080 0 20088 WAT 1534 TIP3 OH2 OT -0.834000 15.9994 0 20089 WAT 1534 TIP3 H1 HT 0.417000 1.0080 0 20090 WAT 1534 TIP3 H2 HT 0.417000 1.0080 0 20091 WAT 1535 TIP3 OH2 OT -0.834000 15.9994 0 20092 WAT 1535 TIP3 H1 HT 0.417000 1.0080 0 20093 WAT 1535 TIP3 H2 HT 0.417000 1.0080 0 20094 WAT 1536 TIP3 OH2 OT -0.834000 15.9994 0 20095 WAT 1536 TIP3 H1 HT 0.417000 1.0080 0 20096 WAT 1536 TIP3 H2 HT 0.417000 1.0080 0 20097 WAT 1537 TIP3 OH2 OT -0.834000 15.9994 0 20098 WAT 1537 TIP3 H1 HT 0.417000 1.0080 0 20099 WAT 1537 TIP3 H2 HT 0.417000 1.0080 0 20100 WAT 1538 TIP3 OH2 OT -0.834000 15.9994 0 20101 WAT 1538 TIP3 H1 HT 0.417000 1.0080 0 20102 WAT 1538 TIP3 H2 HT 0.417000 1.0080 0 20103 WAT 1539 TIP3 OH2 OT -0.834000 15.9994 0 20104 WAT 1539 TIP3 H1 HT 0.417000 1.0080 0 20105 WAT 1539 TIP3 H2 HT 0.417000 1.0080 0 20106 WAT 1540 TIP3 OH2 OT -0.834000 15.9994 0 20107 WAT 1540 TIP3 H1 HT 0.417000 1.0080 0 20108 WAT 1540 TIP3 H2 HT 0.417000 1.0080 0 20109 WAT 1541 TIP3 OH2 OT -0.834000 15.9994 0 20110 WAT 1541 TIP3 H1 HT 0.417000 1.0080 0 20111 WAT 1541 TIP3 H2 HT 0.417000 1.0080 0 20112 WAT 1542 TIP3 OH2 OT -0.834000 15.9994 0 20113 WAT 1542 TIP3 H1 HT 0.417000 1.0080 0 20114 WAT 1542 TIP3 H2 HT 0.417000 1.0080 0 20115 WAT 1543 TIP3 OH2 OT -0.834000 15.9994 0 20116 WAT 1543 TIP3 H1 HT 0.417000 1.0080 0 20117 WAT 1543 TIP3 H2 HT 0.417000 1.0080 0 20118 WAT 1544 TIP3 OH2 OT -0.834000 15.9994 0 20119 WAT 1544 TIP3 H1 HT 0.417000 1.0080 0 20120 WAT 1544 TIP3 H2 HT 0.417000 1.0080 0 20121 WAT 1545 TIP3 OH2 OT -0.834000 15.9994 0 20122 WAT 1545 TIP3 H1 HT 0.417000 1.0080 0 20123 WAT 1545 TIP3 H2 HT 0.417000 1.0080 0 20124 WAT 1546 TIP3 OH2 OT -0.834000 15.9994 0 20125 WAT 1546 TIP3 H1 HT 0.417000 1.0080 0 20126 WAT 1546 TIP3 H2 HT 0.417000 1.0080 0 20127 WAT 1547 TIP3 OH2 OT -0.834000 15.9994 0 20128 WAT 1547 TIP3 H1 HT 0.417000 1.0080 0 20129 WAT 1547 TIP3 H2 HT 0.417000 1.0080 0 20130 WAT 1548 TIP3 OH2 OT -0.834000 15.9994 0 20131 WAT 1548 TIP3 H1 HT 0.417000 1.0080 0 20132 WAT 1548 TIP3 H2 HT 0.417000 1.0080 0 20133 WAT 1549 TIP3 OH2 OT -0.834000 15.9994 0 20134 WAT 1549 TIP3 H1 HT 0.417000 1.0080 0 20135 WAT 1549 TIP3 H2 HT 0.417000 1.0080 0 20136 WAT 1550 TIP3 OH2 OT -0.834000 15.9994 0 20137 WAT 1550 TIP3 H1 HT 0.417000 1.0080 0 20138 WAT 1550 TIP3 H2 HT 0.417000 1.0080 0 20139 WAT 1551 TIP3 OH2 OT -0.834000 15.9994 0 20140 WAT 1551 TIP3 H1 HT 0.417000 1.0080 0 20141 WAT 1551 TIP3 H2 HT 0.417000 1.0080 0 20142 WAT 1552 TIP3 OH2 OT -0.834000 15.9994 0 20143 WAT 1552 TIP3 H1 HT 0.417000 1.0080 0 20144 WAT 1552 TIP3 H2 HT 0.417000 1.0080 0 20145 WAT 1553 TIP3 OH2 OT -0.834000 15.9994 0 20146 WAT 1553 TIP3 H1 HT 0.417000 1.0080 0 20147 WAT 1553 TIP3 H2 HT 0.417000 1.0080 0 20148 WAT 1554 TIP3 OH2 OT -0.834000 15.9994 0 20149 WAT 1554 TIP3 H1 HT 0.417000 1.0080 0 20150 WAT 1554 TIP3 H2 HT 0.417000 1.0080 0 20151 WAT 1555 TIP3 OH2 OT -0.834000 15.9994 0 20152 WAT 1555 TIP3 H1 HT 0.417000 1.0080 0 20153 WAT 1555 TIP3 H2 HT 0.417000 1.0080 0 20154 WAT 1556 TIP3 OH2 OT -0.834000 15.9994 0 20155 WAT 1556 TIP3 H1 HT 0.417000 1.0080 0 20156 WAT 1556 TIP3 H2 HT 0.417000 1.0080 0 20157 WAT 1557 TIP3 OH2 OT -0.834000 15.9994 0 20158 WAT 1557 TIP3 H1 HT 0.417000 1.0080 0 20159 WAT 1557 TIP3 H2 HT 0.417000 1.0080 0 20160 WAT 1558 TIP3 OH2 OT -0.834000 15.9994 0 20161 WAT 1558 TIP3 H1 HT 0.417000 1.0080 0 20162 WAT 1558 TIP3 H2 HT 0.417000 1.0080 0 20163 WAT 1559 TIP3 OH2 OT -0.834000 15.9994 0 20164 WAT 1559 TIP3 H1 HT 0.417000 1.0080 0 20165 WAT 1559 TIP3 H2 HT 0.417000 1.0080 0 20166 WAT 1560 TIP3 OH2 OT -0.834000 15.9994 0 20167 WAT 1560 TIP3 H1 HT 0.417000 1.0080 0 20168 WAT 1560 TIP3 H2 HT 0.417000 1.0080 0 20169 WAT 1561 TIP3 OH2 OT -0.834000 15.9994 0 20170 WAT 1561 TIP3 H1 HT 0.417000 1.0080 0 20171 WAT 1561 TIP3 H2 HT 0.417000 1.0080 0 20172 WAT 1562 TIP3 OH2 OT -0.834000 15.9994 0 20173 WAT 1562 TIP3 H1 HT 0.417000 1.0080 0 20174 WAT 1562 TIP3 H2 HT 0.417000 1.0080 0 20175 WAT 1563 TIP3 OH2 OT -0.834000 15.9994 0 20176 WAT 1563 TIP3 H1 HT 0.417000 1.0080 0 20177 WAT 1563 TIP3 H2 HT 0.417000 1.0080 0 20178 WAT 1564 TIP3 OH2 OT -0.834000 15.9994 0 20179 WAT 1564 TIP3 H1 HT 0.417000 1.0080 0 20180 WAT 1564 TIP3 H2 HT 0.417000 1.0080 0 20181 WAT 1565 TIP3 OH2 OT -0.834000 15.9994 0 20182 WAT 1565 TIP3 H1 HT 0.417000 1.0080 0 20183 WAT 1565 TIP3 H2 HT 0.417000 1.0080 0 20184 WAT 1566 TIP3 OH2 OT -0.834000 15.9994 0 20185 WAT 1566 TIP3 H1 HT 0.417000 1.0080 0 20186 WAT 1566 TIP3 H2 HT 0.417000 1.0080 0 20187 WAT 1567 TIP3 OH2 OT -0.834000 15.9994 0 20188 WAT 1567 TIP3 H1 HT 0.417000 1.0080 0 20189 WAT 1567 TIP3 H2 HT 0.417000 1.0080 0 20190 WAT 1568 TIP3 OH2 OT -0.834000 15.9994 0 20191 WAT 1568 TIP3 H1 HT 0.417000 1.0080 0 20192 WAT 1568 TIP3 H2 HT 0.417000 1.0080 0 20193 WAT 1569 TIP3 OH2 OT -0.834000 15.9994 0 20194 WAT 1569 TIP3 H1 HT 0.417000 1.0080 0 20195 WAT 1569 TIP3 H2 HT 0.417000 1.0080 0 20196 WAT 1570 TIP3 OH2 OT -0.834000 15.9994 0 20197 WAT 1570 TIP3 H1 HT 0.417000 1.0080 0 20198 WAT 1570 TIP3 H2 HT 0.417000 1.0080 0 20199 WAT 1571 TIP3 OH2 OT -0.834000 15.9994 0 20200 WAT 1571 TIP3 H1 HT 0.417000 1.0080 0 20201 WAT 1571 TIP3 H2 HT 0.417000 1.0080 0 20202 WAT 1572 TIP3 OH2 OT -0.834000 15.9994 0 20203 WAT 1572 TIP3 H1 HT 0.417000 1.0080 0 20204 WAT 1572 TIP3 H2 HT 0.417000 1.0080 0 20205 WAT 1573 TIP3 OH2 OT -0.834000 15.9994 0 20206 WAT 1573 TIP3 H1 HT 0.417000 1.0080 0 20207 WAT 1573 TIP3 H2 HT 0.417000 1.0080 0 20208 WAT 1574 TIP3 OH2 OT -0.834000 15.9994 0 20209 WAT 1574 TIP3 H1 HT 0.417000 1.0080 0 20210 WAT 1574 TIP3 H2 HT 0.417000 1.0080 0 20211 WAT 1575 TIP3 OH2 OT -0.834000 15.9994 0 20212 WAT 1575 TIP3 H1 HT 0.417000 1.0080 0 20213 WAT 1575 TIP3 H2 HT 0.417000 1.0080 0 20214 WAT 1576 TIP3 OH2 OT -0.834000 15.9994 0 20215 WAT 1576 TIP3 H1 HT 0.417000 1.0080 0 20216 WAT 1576 TIP3 H2 HT 0.417000 1.0080 0 20217 WAT 1577 TIP3 OH2 OT -0.834000 15.9994 0 20218 WAT 1577 TIP3 H1 HT 0.417000 1.0080 0 20219 WAT 1577 TIP3 H2 HT 0.417000 1.0080 0 20220 WAT 1578 TIP3 OH2 OT -0.834000 15.9994 0 20221 WAT 1578 TIP3 H1 HT 0.417000 1.0080 0 20222 WAT 1578 TIP3 H2 HT 0.417000 1.0080 0 20223 WAT 1579 TIP3 OH2 OT -0.834000 15.9994 0 20224 WAT 1579 TIP3 H1 HT 0.417000 1.0080 0 20225 WAT 1579 TIP3 H2 HT 0.417000 1.0080 0 20226 WAT 1580 TIP3 OH2 OT -0.834000 15.9994 0 20227 WAT 1580 TIP3 H1 HT 0.417000 1.0080 0 20228 WAT 1580 TIP3 H2 HT 0.417000 1.0080 0 20229 WAT 1581 TIP3 OH2 OT -0.834000 15.9994 0 20230 WAT 1581 TIP3 H1 HT 0.417000 1.0080 0 20231 WAT 1581 TIP3 H2 HT 0.417000 1.0080 0 20232 WAT 1582 TIP3 OH2 OT -0.834000 15.9994 0 20233 WAT 1582 TIP3 H1 HT 0.417000 1.0080 0 20234 WAT 1582 TIP3 H2 HT 0.417000 1.0080 0 20235 WAT 1583 TIP3 OH2 OT -0.834000 15.9994 0 20236 WAT 1583 TIP3 H1 HT 0.417000 1.0080 0 20237 WAT 1583 TIP3 H2 HT 0.417000 1.0080 0 20238 WAT 1584 TIP3 OH2 OT -0.834000 15.9994 0 20239 WAT 1584 TIP3 H1 HT 0.417000 1.0080 0 20240 WAT 1584 TIP3 H2 HT 0.417000 1.0080 0 20241 WAT 1585 TIP3 OH2 OT -0.834000 15.9994 0 20242 WAT 1585 TIP3 H1 HT 0.417000 1.0080 0 20243 WAT 1585 TIP3 H2 HT 0.417000 1.0080 0 20244 WAT 1586 TIP3 OH2 OT -0.834000 15.9994 0 20245 WAT 1586 TIP3 H1 HT 0.417000 1.0080 0 20246 WAT 1586 TIP3 H2 HT 0.417000 1.0080 0 20247 WAT 1587 TIP3 OH2 OT -0.834000 15.9994 0 20248 WAT 1587 TIP3 H1 HT 0.417000 1.0080 0 20249 WAT 1587 TIP3 H2 HT 0.417000 1.0080 0 20250 WAT 1588 TIP3 OH2 OT -0.834000 15.9994 0 20251 WAT 1588 TIP3 H1 HT 0.417000 1.0080 0 20252 WAT 1588 TIP3 H2 HT 0.417000 1.0080 0 20253 WAT 1589 TIP3 OH2 OT -0.834000 15.9994 0 20254 WAT 1589 TIP3 H1 HT 0.417000 1.0080 0 20255 WAT 1589 TIP3 H2 HT 0.417000 1.0080 0 20256 WAT 1590 TIP3 OH2 OT -0.834000 15.9994 0 20257 WAT 1590 TIP3 H1 HT 0.417000 1.0080 0 20258 WAT 1590 TIP3 H2 HT 0.417000 1.0080 0 20259 WAT 1591 TIP3 OH2 OT -0.834000 15.9994 0 20260 WAT 1591 TIP3 H1 HT 0.417000 1.0080 0 20261 WAT 1591 TIP3 H2 HT 0.417000 1.0080 0 20262 WAT 1592 TIP3 OH2 OT -0.834000 15.9994 0 20263 WAT 1592 TIP3 H1 HT 0.417000 1.0080 0 20264 WAT 1592 TIP3 H2 HT 0.417000 1.0080 0 20265 WAT 1593 TIP3 OH2 OT -0.834000 15.9994 0 20266 WAT 1593 TIP3 H1 HT 0.417000 1.0080 0 20267 WAT 1593 TIP3 H2 HT 0.417000 1.0080 0 20268 WAT 1594 TIP3 OH2 OT -0.834000 15.9994 0 20269 WAT 1594 TIP3 H1 HT 0.417000 1.0080 0 20270 WAT 1594 TIP3 H2 HT 0.417000 1.0080 0 20271 WAT 1595 TIP3 OH2 OT -0.834000 15.9994 0 20272 WAT 1595 TIP3 H1 HT 0.417000 1.0080 0 20273 WAT 1595 TIP3 H2 HT 0.417000 1.0080 0 20274 WAT 1596 TIP3 OH2 OT -0.834000 15.9994 0 20275 WAT 1596 TIP3 H1 HT 0.417000 1.0080 0 20276 WAT 1596 TIP3 H2 HT 0.417000 1.0080 0 20277 WAT 1597 TIP3 OH2 OT -0.834000 15.9994 0 20278 WAT 1597 TIP3 H1 HT 0.417000 1.0080 0 20279 WAT 1597 TIP3 H2 HT 0.417000 1.0080 0 20280 WAT 1598 TIP3 OH2 OT -0.834000 15.9994 0 20281 WAT 1598 TIP3 H1 HT 0.417000 1.0080 0 20282 WAT 1598 TIP3 H2 HT 0.417000 1.0080 0 20283 WAT 1599 TIP3 OH2 OT -0.834000 15.9994 0 20284 WAT 1599 TIP3 H1 HT 0.417000 1.0080 0 20285 WAT 1599 TIP3 H2 HT 0.417000 1.0080 0 20286 WAT 1600 TIP3 OH2 OT -0.834000 15.9994 0 20287 WAT 1600 TIP3 H1 HT 0.417000 1.0080 0 20288 WAT 1600 TIP3 H2 HT 0.417000 1.0080 0 20289 WAT 1601 TIP3 OH2 OT -0.834000 15.9994 0 20290 WAT 1601 TIP3 H1 HT 0.417000 1.0080 0 20291 WAT 1601 TIP3 H2 HT 0.417000 1.0080 0 20292 WAT 1602 TIP3 OH2 OT -0.834000 15.9994 0 20293 WAT 1602 TIP3 H1 HT 0.417000 1.0080 0 20294 WAT 1602 TIP3 H2 HT 0.417000 1.0080 0 20295 WAT 1603 TIP3 OH2 OT -0.834000 15.9994 0 20296 WAT 1603 TIP3 H1 HT 0.417000 1.0080 0 20297 WAT 1603 TIP3 H2 HT 0.417000 1.0080 0 20298 WAT 1604 TIP3 OH2 OT -0.834000 15.9994 0 20299 WAT 1604 TIP3 H1 HT 0.417000 1.0080 0 20300 WAT 1604 TIP3 H2 HT 0.417000 1.0080 0 20301 WAT 1605 TIP3 OH2 OT -0.834000 15.9994 0 20302 WAT 1605 TIP3 H1 HT 0.417000 1.0080 0 20303 WAT 1605 TIP3 H2 HT 0.417000 1.0080 0 20304 WAT 1606 TIP3 OH2 OT -0.834000 15.9994 0 20305 WAT 1606 TIP3 H1 HT 0.417000 1.0080 0 20306 WAT 1606 TIP3 H2 HT 0.417000 1.0080 0 20307 WAT 1607 TIP3 OH2 OT -0.834000 15.9994 0 20308 WAT 1607 TIP3 H1 HT 0.417000 1.0080 0 20309 WAT 1607 TIP3 H2 HT 0.417000 1.0080 0 20310 WAT 1608 TIP3 OH2 OT -0.834000 15.9994 0 20311 WAT 1608 TIP3 H1 HT 0.417000 1.0080 0 20312 WAT 1608 TIP3 H2 HT 0.417000 1.0080 0 20313 WAT 1609 TIP3 OH2 OT -0.834000 15.9994 0 20314 WAT 1609 TIP3 H1 HT 0.417000 1.0080 0 20315 WAT 1609 TIP3 H2 HT 0.417000 1.0080 0 20316 WAT 1610 TIP3 OH2 OT -0.834000 15.9994 0 20317 WAT 1610 TIP3 H1 HT 0.417000 1.0080 0 20318 WAT 1610 TIP3 H2 HT 0.417000 1.0080 0 20319 WAT 1611 TIP3 OH2 OT -0.834000 15.9994 0 20320 WAT 1611 TIP3 H1 HT 0.417000 1.0080 0 20321 WAT 1611 TIP3 H2 HT 0.417000 1.0080 0 20322 WAT 1612 TIP3 OH2 OT -0.834000 15.9994 0 20323 WAT 1612 TIP3 H1 HT 0.417000 1.0080 0 20324 WAT 1612 TIP3 H2 HT 0.417000 1.0080 0 20325 WAT 1613 TIP3 OH2 OT -0.834000 15.9994 0 20326 WAT 1613 TIP3 H1 HT 0.417000 1.0080 0 20327 WAT 1613 TIP3 H2 HT 0.417000 1.0080 0 20328 WAT 1614 TIP3 OH2 OT -0.834000 15.9994 0 20329 WAT 1614 TIP3 H1 HT 0.417000 1.0080 0 20330 WAT 1614 TIP3 H2 HT 0.417000 1.0080 0 20331 WAT 1615 TIP3 OH2 OT -0.834000 15.9994 0 20332 WAT 1615 TIP3 H1 HT 0.417000 1.0080 0 20333 WAT 1615 TIP3 H2 HT 0.417000 1.0080 0 20334 WAT 1616 TIP3 OH2 OT -0.834000 15.9994 0 20335 WAT 1616 TIP3 H1 HT 0.417000 1.0080 0 20336 WAT 1616 TIP3 H2 HT 0.417000 1.0080 0 20337 WAT 1617 TIP3 OH2 OT -0.834000 15.9994 0 20338 WAT 1617 TIP3 H1 HT 0.417000 1.0080 0 20339 WAT 1617 TIP3 H2 HT 0.417000 1.0080 0 20340 WAT 1618 TIP3 OH2 OT -0.834000 15.9994 0 20341 WAT 1618 TIP3 H1 HT 0.417000 1.0080 0 20342 WAT 1618 TIP3 H2 HT 0.417000 1.0080 0 20343 WAT 1619 TIP3 OH2 OT -0.834000 15.9994 0 20344 WAT 1619 TIP3 H1 HT 0.417000 1.0080 0 20345 WAT 1619 TIP3 H2 HT 0.417000 1.0080 0 20346 WAT 1620 TIP3 OH2 OT -0.834000 15.9994 0 20347 WAT 1620 TIP3 H1 HT 0.417000 1.0080 0 20348 WAT 1620 TIP3 H2 HT 0.417000 1.0080 0 20349 WAT 1621 TIP3 OH2 OT -0.834000 15.9994 0 20350 WAT 1621 TIP3 H1 HT 0.417000 1.0080 0 20351 WAT 1621 TIP3 H2 HT 0.417000 1.0080 0 20352 WAT 1622 TIP3 OH2 OT -0.834000 15.9994 0 20353 WAT 1622 TIP3 H1 HT 0.417000 1.0080 0 20354 WAT 1622 TIP3 H2 HT 0.417000 1.0080 0 20355 WAT 1623 TIP3 OH2 OT -0.834000 15.9994 0 20356 WAT 1623 TIP3 H1 HT 0.417000 1.0080 0 20357 WAT 1623 TIP3 H2 HT 0.417000 1.0080 0 20358 WAT 1624 TIP3 OH2 OT -0.834000 15.9994 0 20359 WAT 1624 TIP3 H1 HT 0.417000 1.0080 0 20360 WAT 1624 TIP3 H2 HT 0.417000 1.0080 0 20361 WAT 1625 TIP3 OH2 OT -0.834000 15.9994 0 20362 WAT 1625 TIP3 H1 HT 0.417000 1.0080 0 20363 WAT 1625 TIP3 H2 HT 0.417000 1.0080 0 20364 WAT 1626 TIP3 OH2 OT -0.834000 15.9994 0 20365 WAT 1626 TIP3 H1 HT 0.417000 1.0080 0 20366 WAT 1626 TIP3 H2 HT 0.417000 1.0080 0 20367 WAT 1627 TIP3 OH2 OT -0.834000 15.9994 0 20368 WAT 1627 TIP3 H1 HT 0.417000 1.0080 0 20369 WAT 1627 TIP3 H2 HT 0.417000 1.0080 0 20370 WAT 1628 TIP3 OH2 OT -0.834000 15.9994 0 20371 WAT 1628 TIP3 H1 HT 0.417000 1.0080 0 20372 WAT 1628 TIP3 H2 HT 0.417000 1.0080 0 20373 WAT 1629 TIP3 OH2 OT -0.834000 15.9994 0 20374 WAT 1629 TIP3 H1 HT 0.417000 1.0080 0 20375 WAT 1629 TIP3 H2 HT 0.417000 1.0080 0 20376 WAT 1630 TIP3 OH2 OT -0.834000 15.9994 0 20377 WAT 1630 TIP3 H1 HT 0.417000 1.0080 0 20378 WAT 1630 TIP3 H2 HT 0.417000 1.0080 0 20379 WAT 1631 TIP3 OH2 OT -0.834000 15.9994 0 20380 WAT 1631 TIP3 H1 HT 0.417000 1.0080 0 20381 WAT 1631 TIP3 H2 HT 0.417000 1.0080 0 20382 WAT 1632 TIP3 OH2 OT -0.834000 15.9994 0 20383 WAT 1632 TIP3 H1 HT 0.417000 1.0080 0 20384 WAT 1632 TIP3 H2 HT 0.417000 1.0080 0 20385 WAT 1633 TIP3 OH2 OT -0.834000 15.9994 0 20386 WAT 1633 TIP3 H1 HT 0.417000 1.0080 0 20387 WAT 1633 TIP3 H2 HT 0.417000 1.0080 0 20388 WAT 1634 TIP3 OH2 OT -0.834000 15.9994 0 20389 WAT 1634 TIP3 H1 HT 0.417000 1.0080 0 20390 WAT 1634 TIP3 H2 HT 0.417000 1.0080 0 20391 WAT 1635 TIP3 OH2 OT -0.834000 15.9994 0 20392 WAT 1635 TIP3 H1 HT 0.417000 1.0080 0 20393 WAT 1635 TIP3 H2 HT 0.417000 1.0080 0 20394 WAT 1636 TIP3 OH2 OT -0.834000 15.9994 0 20395 WAT 1636 TIP3 H1 HT 0.417000 1.0080 0 20396 WAT 1636 TIP3 H2 HT 0.417000 1.0080 0 20397 WAT 1637 TIP3 OH2 OT -0.834000 15.9994 0 20398 WAT 1637 TIP3 H1 HT 0.417000 1.0080 0 20399 WAT 1637 TIP3 H2 HT 0.417000 1.0080 0 20400 WAT 1638 TIP3 OH2 OT -0.834000 15.9994 0 20401 WAT 1638 TIP3 H1 HT 0.417000 1.0080 0 20402 WAT 1638 TIP3 H2 HT 0.417000 1.0080 0 20403 WAT 1639 TIP3 OH2 OT -0.834000 15.9994 0 20404 WAT 1639 TIP3 H1 HT 0.417000 1.0080 0 20405 WAT 1639 TIP3 H2 HT 0.417000 1.0080 0 20406 WAT 1640 TIP3 OH2 OT -0.834000 15.9994 0 20407 WAT 1640 TIP3 H1 HT 0.417000 1.0080 0 20408 WAT 1640 TIP3 H2 HT 0.417000 1.0080 0 20409 WAT 1641 TIP3 OH2 OT -0.834000 15.9994 0 20410 WAT 1641 TIP3 H1 HT 0.417000 1.0080 0 20411 WAT 1641 TIP3 H2 HT 0.417000 1.0080 0 20412 WAT 1642 TIP3 OH2 OT -0.834000 15.9994 0 20413 WAT 1642 TIP3 H1 HT 0.417000 1.0080 0 20414 WAT 1642 TIP3 H2 HT 0.417000 1.0080 0 20415 WAT 1643 TIP3 OH2 OT -0.834000 15.9994 0 20416 WAT 1643 TIP3 H1 HT 0.417000 1.0080 0 20417 WAT 1643 TIP3 H2 HT 0.417000 1.0080 0 20418 WAT 1644 TIP3 OH2 OT -0.834000 15.9994 0 20419 WAT 1644 TIP3 H1 HT 0.417000 1.0080 0 20420 WAT 1644 TIP3 H2 HT 0.417000 1.0080 0 20421 WAT 1645 TIP3 OH2 OT -0.834000 15.9994 0 20422 WAT 1645 TIP3 H1 HT 0.417000 1.0080 0 20423 WAT 1645 TIP3 H2 HT 0.417000 1.0080 0 20424 WAT 1646 TIP3 OH2 OT -0.834000 15.9994 0 20425 WAT 1646 TIP3 H1 HT 0.417000 1.0080 0 20426 WAT 1646 TIP3 H2 HT 0.417000 1.0080 0 20427 WAT 1647 TIP3 OH2 OT -0.834000 15.9994 0 20428 WAT 1647 TIP3 H1 HT 0.417000 1.0080 0 20429 WAT 1647 TIP3 H2 HT 0.417000 1.0080 0 20430 WAT 1648 TIP3 OH2 OT -0.834000 15.9994 0 20431 WAT 1648 TIP3 H1 HT 0.417000 1.0080 0 20432 WAT 1648 TIP3 H2 HT 0.417000 1.0080 0 20433 WAT 1649 TIP3 OH2 OT -0.834000 15.9994 0 20434 WAT 1649 TIP3 H1 HT 0.417000 1.0080 0 20435 WAT 1649 TIP3 H2 HT 0.417000 1.0080 0 20436 WAT 1650 TIP3 OH2 OT -0.834000 15.9994 0 20437 WAT 1650 TIP3 H1 HT 0.417000 1.0080 0 20438 WAT 1650 TIP3 H2 HT 0.417000 1.0080 0 20439 WAT 1651 TIP3 OH2 OT -0.834000 15.9994 0 20440 WAT 1651 TIP3 H1 HT 0.417000 1.0080 0 20441 WAT 1651 TIP3 H2 HT 0.417000 1.0080 0 20442 WAT 1652 TIP3 OH2 OT -0.834000 15.9994 0 20443 WAT 1652 TIP3 H1 HT 0.417000 1.0080 0 20444 WAT 1652 TIP3 H2 HT 0.417000 1.0080 0 20445 WAT 1653 TIP3 OH2 OT -0.834000 15.9994 0 20446 WAT 1653 TIP3 H1 HT 0.417000 1.0080 0 20447 WAT 1653 TIP3 H2 HT 0.417000 1.0080 0 20448 WAT 1654 TIP3 OH2 OT -0.834000 15.9994 0 20449 WAT 1654 TIP3 H1 HT 0.417000 1.0080 0 20450 WAT 1654 TIP3 H2 HT 0.417000 1.0080 0 20451 WAT 1655 TIP3 OH2 OT -0.834000 15.9994 0 20452 WAT 1655 TIP3 H1 HT 0.417000 1.0080 0 20453 WAT 1655 TIP3 H2 HT 0.417000 1.0080 0 20454 WAT 1656 TIP3 OH2 OT -0.834000 15.9994 0 20455 WAT 1656 TIP3 H1 HT 0.417000 1.0080 0 20456 WAT 1656 TIP3 H2 HT 0.417000 1.0080 0 20457 WAT 1657 TIP3 OH2 OT -0.834000 15.9994 0 20458 WAT 1657 TIP3 H1 HT 0.417000 1.0080 0 20459 WAT 1657 TIP3 H2 HT 0.417000 1.0080 0 20460 WAT 1658 TIP3 OH2 OT -0.834000 15.9994 0 20461 WAT 1658 TIP3 H1 HT 0.417000 1.0080 0 20462 WAT 1658 TIP3 H2 HT 0.417000 1.0080 0 20463 WAT 1659 TIP3 OH2 OT -0.834000 15.9994 0 20464 WAT 1659 TIP3 H1 HT 0.417000 1.0080 0 20465 WAT 1659 TIP3 H2 HT 0.417000 1.0080 0 20466 WAT 1660 TIP3 OH2 OT -0.834000 15.9994 0 20467 WAT 1660 TIP3 H1 HT 0.417000 1.0080 0 20468 WAT 1660 TIP3 H2 HT 0.417000 1.0080 0 20469 WAT 1661 TIP3 OH2 OT -0.834000 15.9994 0 20470 WAT 1661 TIP3 H1 HT 0.417000 1.0080 0 20471 WAT 1661 TIP3 H2 HT 0.417000 1.0080 0 20472 WAT 1662 TIP3 OH2 OT -0.834000 15.9994 0 20473 WAT 1662 TIP3 H1 HT 0.417000 1.0080 0 20474 WAT 1662 TIP3 H2 HT 0.417000 1.0080 0 20475 WAT 1663 TIP3 OH2 OT -0.834000 15.9994 0 20476 WAT 1663 TIP3 H1 HT 0.417000 1.0080 0 20477 WAT 1663 TIP3 H2 HT 0.417000 1.0080 0 20478 WAT 1664 TIP3 OH2 OT -0.834000 15.9994 0 20479 WAT 1664 TIP3 H1 HT 0.417000 1.0080 0 20480 WAT 1664 TIP3 H2 HT 0.417000 1.0080 0 20481 WAT 1665 TIP3 OH2 OT -0.834000 15.9994 0 20482 WAT 1665 TIP3 H1 HT 0.417000 1.0080 0 20483 WAT 1665 TIP3 H2 HT 0.417000 1.0080 0 20484 WAT 1666 TIP3 OH2 OT -0.834000 15.9994 0 20485 WAT 1666 TIP3 H1 HT 0.417000 1.0080 0 20486 WAT 1666 TIP3 H2 HT 0.417000 1.0080 0 20487 WAT 1667 TIP3 OH2 OT -0.834000 15.9994 0 20488 WAT 1667 TIP3 H1 HT 0.417000 1.0080 0 20489 WAT 1667 TIP3 H2 HT 0.417000 1.0080 0 20490 WAT 1668 TIP3 OH2 OT -0.834000 15.9994 0 20491 WAT 1668 TIP3 H1 HT 0.417000 1.0080 0 20492 WAT 1668 TIP3 H2 HT 0.417000 1.0080 0 20493 WAT 1669 TIP3 OH2 OT -0.834000 15.9994 0 20494 WAT 1669 TIP3 H1 HT 0.417000 1.0080 0 20495 WAT 1669 TIP3 H2 HT 0.417000 1.0080 0 20496 WAT 1670 TIP3 OH2 OT -0.834000 15.9994 0 20497 WAT 1670 TIP3 H1 HT 0.417000 1.0080 0 20498 WAT 1670 TIP3 H2 HT 0.417000 1.0080 0 20499 WAT 1671 TIP3 OH2 OT -0.834000 15.9994 0 20500 WAT 1671 TIP3 H1 HT 0.417000 1.0080 0 20501 WAT 1671 TIP3 H2 HT 0.417000 1.0080 0 20502 WAT 1672 TIP3 OH2 OT -0.834000 15.9994 0 20503 WAT 1672 TIP3 H1 HT 0.417000 1.0080 0 20504 WAT 1672 TIP3 H2 HT 0.417000 1.0080 0 20505 WAT 1673 TIP3 OH2 OT -0.834000 15.9994 0 20506 WAT 1673 TIP3 H1 HT 0.417000 1.0080 0 20507 WAT 1673 TIP3 H2 HT 0.417000 1.0080 0 20508 WAT 1674 TIP3 OH2 OT -0.834000 15.9994 0 20509 WAT 1674 TIP3 H1 HT 0.417000 1.0080 0 20510 WAT 1674 TIP3 H2 HT 0.417000 1.0080 0 20511 WAT 1675 TIP3 OH2 OT -0.834000 15.9994 0 20512 WAT 1675 TIP3 H1 HT 0.417000 1.0080 0 20513 WAT 1675 TIP3 H2 HT 0.417000 1.0080 0 20514 WAT 1676 TIP3 OH2 OT -0.834000 15.9994 0 20515 WAT 1676 TIP3 H1 HT 0.417000 1.0080 0 20516 WAT 1676 TIP3 H2 HT 0.417000 1.0080 0 20517 WAT 1677 TIP3 OH2 OT -0.834000 15.9994 0 20518 WAT 1677 TIP3 H1 HT 0.417000 1.0080 0 20519 WAT 1677 TIP3 H2 HT 0.417000 1.0080 0 20520 WAT 1678 TIP3 OH2 OT -0.834000 15.9994 0 20521 WAT 1678 TIP3 H1 HT 0.417000 1.0080 0 20522 WAT 1678 TIP3 H2 HT 0.417000 1.0080 0 20523 WAT 1679 TIP3 OH2 OT -0.834000 15.9994 0 20524 WAT 1679 TIP3 H1 HT 0.417000 1.0080 0 20525 WAT 1679 TIP3 H2 HT 0.417000 1.0080 0 20526 WAT 1680 TIP3 OH2 OT -0.834000 15.9994 0 20527 WAT 1680 TIP3 H1 HT 0.417000 1.0080 0 20528 WAT 1680 TIP3 H2 HT 0.417000 1.0080 0 20529 WAT 1681 TIP3 OH2 OT -0.834000 15.9994 0 20530 WAT 1681 TIP3 H1 HT 0.417000 1.0080 0 20531 WAT 1681 TIP3 H2 HT 0.417000 1.0080 0 20532 WAT 1682 TIP3 OH2 OT -0.834000 15.9994 0 20533 WAT 1682 TIP3 H1 HT 0.417000 1.0080 0 20534 WAT 1682 TIP3 H2 HT 0.417000 1.0080 0 20535 WAT 1683 TIP3 OH2 OT -0.834000 15.9994 0 20536 WAT 1683 TIP3 H1 HT 0.417000 1.0080 0 20537 WAT 1683 TIP3 H2 HT 0.417000 1.0080 0 20538 WAT 1684 TIP3 OH2 OT -0.834000 15.9994 0 20539 WAT 1684 TIP3 H1 HT 0.417000 1.0080 0 20540 WAT 1684 TIP3 H2 HT 0.417000 1.0080 0 20541 WAT 1685 TIP3 OH2 OT -0.834000 15.9994 0 20542 WAT 1685 TIP3 H1 HT 0.417000 1.0080 0 20543 WAT 1685 TIP3 H2 HT 0.417000 1.0080 0 20544 WAT 1686 TIP3 OH2 OT -0.834000 15.9994 0 20545 WAT 1686 TIP3 H1 HT 0.417000 1.0080 0 20546 WAT 1686 TIP3 H2 HT 0.417000 1.0080 0 20547 WAT 1687 TIP3 OH2 OT -0.834000 15.9994 0 20548 WAT 1687 TIP3 H1 HT 0.417000 1.0080 0 20549 WAT 1687 TIP3 H2 HT 0.417000 1.0080 0 20550 WAT 1688 TIP3 OH2 OT -0.834000 15.9994 0 20551 WAT 1688 TIP3 H1 HT 0.417000 1.0080 0 20552 WAT 1688 TIP3 H2 HT 0.417000 1.0080 0 20553 WAT 1689 TIP3 OH2 OT -0.834000 15.9994 0 20554 WAT 1689 TIP3 H1 HT 0.417000 1.0080 0 20555 WAT 1689 TIP3 H2 HT 0.417000 1.0080 0 20556 WAT 1690 TIP3 OH2 OT -0.834000 15.9994 0 20557 WAT 1690 TIP3 H1 HT 0.417000 1.0080 0 20558 WAT 1690 TIP3 H2 HT 0.417000 1.0080 0 20559 WAT 1691 TIP3 OH2 OT -0.834000 15.9994 0 20560 WAT 1691 TIP3 H1 HT 0.417000 1.0080 0 20561 WAT 1691 TIP3 H2 HT 0.417000 1.0080 0 20562 WAT 1692 TIP3 OH2 OT -0.834000 15.9994 0 20563 WAT 1692 TIP3 H1 HT 0.417000 1.0080 0 20564 WAT 1692 TIP3 H2 HT 0.417000 1.0080 0 20565 WAT 1693 TIP3 OH2 OT -0.834000 15.9994 0 20566 WAT 1693 TIP3 H1 HT 0.417000 1.0080 0 20567 WAT 1693 TIP3 H2 HT 0.417000 1.0080 0 20568 WAT 1694 TIP3 OH2 OT -0.834000 15.9994 0 20569 WAT 1694 TIP3 H1 HT 0.417000 1.0080 0 20570 WAT 1694 TIP3 H2 HT 0.417000 1.0080 0 20571 WAT 1695 TIP3 OH2 OT -0.834000 15.9994 0 20572 WAT 1695 TIP3 H1 HT 0.417000 1.0080 0 20573 WAT 1695 TIP3 H2 HT 0.417000 1.0080 0 20574 WAT 1696 TIP3 OH2 OT -0.834000 15.9994 0 20575 WAT 1696 TIP3 H1 HT 0.417000 1.0080 0 20576 WAT 1696 TIP3 H2 HT 0.417000 1.0080 0 20577 WAT 1697 TIP3 OH2 OT -0.834000 15.9994 0 20578 WAT 1697 TIP3 H1 HT 0.417000 1.0080 0 20579 WAT 1697 TIP3 H2 HT 0.417000 1.0080 0 20580 WAT 1698 TIP3 OH2 OT -0.834000 15.9994 0 20581 WAT 1698 TIP3 H1 HT 0.417000 1.0080 0 20582 WAT 1698 TIP3 H2 HT 0.417000 1.0080 0 20583 WAT 1699 TIP3 OH2 OT -0.834000 15.9994 0 20584 WAT 1699 TIP3 H1 HT 0.417000 1.0080 0 20585 WAT 1699 TIP3 H2 HT 0.417000 1.0080 0 20586 WAT 1700 TIP3 OH2 OT -0.834000 15.9994 0 20587 WAT 1700 TIP3 H1 HT 0.417000 1.0080 0 20588 WAT 1700 TIP3 H2 HT 0.417000 1.0080 0 20589 WAT 1701 TIP3 OH2 OT -0.834000 15.9994 0 20590 WAT 1701 TIP3 H1 HT 0.417000 1.0080 0 20591 WAT 1701 TIP3 H2 HT 0.417000 1.0080 0 20592 WAT 1702 TIP3 OH2 OT -0.834000 15.9994 0 20593 WAT 1702 TIP3 H1 HT 0.417000 1.0080 0 20594 WAT 1702 TIP3 H2 HT 0.417000 1.0080 0 20595 WAT 1703 TIP3 OH2 OT -0.834000 15.9994 0 20596 WAT 1703 TIP3 H1 HT 0.417000 1.0080 0 20597 WAT 1703 TIP3 H2 HT 0.417000 1.0080 0 20598 WAT 1704 TIP3 OH2 OT -0.834000 15.9994 0 20599 WAT 1704 TIP3 H1 HT 0.417000 1.0080 0 20600 WAT 1704 TIP3 H2 HT 0.417000 1.0080 0 20601 WAT 1705 TIP3 OH2 OT -0.834000 15.9994 0 20602 WAT 1705 TIP3 H1 HT 0.417000 1.0080 0 20603 WAT 1705 TIP3 H2 HT 0.417000 1.0080 0 20604 WAT 1706 TIP3 OH2 OT -0.834000 15.9994 0 20605 WAT 1706 TIP3 H1 HT 0.417000 1.0080 0 20606 WAT 1706 TIP3 H2 HT 0.417000 1.0080 0 20607 WAT 1707 TIP3 OH2 OT -0.834000 15.9994 0 20608 WAT 1707 TIP3 H1 HT 0.417000 1.0080 0 20609 WAT 1707 TIP3 H2 HT 0.417000 1.0080 0 20610 WAT 1708 TIP3 OH2 OT -0.834000 15.9994 0 20611 WAT 1708 TIP3 H1 HT 0.417000 1.0080 0 20612 WAT 1708 TIP3 H2 HT 0.417000 1.0080 0 20613 WAT 1709 TIP3 OH2 OT -0.834000 15.9994 0 20614 WAT 1709 TIP3 H1 HT 0.417000 1.0080 0 20615 WAT 1709 TIP3 H2 HT 0.417000 1.0080 0 20616 WAT 1710 TIP3 OH2 OT -0.834000 15.9994 0 20617 WAT 1710 TIP3 H1 HT 0.417000 1.0080 0 20618 WAT 1710 TIP3 H2 HT 0.417000 1.0080 0 20619 WAT 1711 TIP3 OH2 OT -0.834000 15.9994 0 20620 WAT 1711 TIP3 H1 HT 0.417000 1.0080 0 20621 WAT 1711 TIP3 H2 HT 0.417000 1.0080 0 20622 WAT 1712 TIP3 OH2 OT -0.834000 15.9994 0 20623 WAT 1712 TIP3 H1 HT 0.417000 1.0080 0 20624 WAT 1712 TIP3 H2 HT 0.417000 1.0080 0 20625 WAT 1713 TIP3 OH2 OT -0.834000 15.9994 0 20626 WAT 1713 TIP3 H1 HT 0.417000 1.0080 0 20627 WAT 1713 TIP3 H2 HT 0.417000 1.0080 0 20628 WAT 1714 TIP3 OH2 OT -0.834000 15.9994 0 20629 WAT 1714 TIP3 H1 HT 0.417000 1.0080 0 20630 WAT 1714 TIP3 H2 HT 0.417000 1.0080 0 20631 WAT 1715 TIP3 OH2 OT -0.834000 15.9994 0 20632 WAT 1715 TIP3 H1 HT 0.417000 1.0080 0 20633 WAT 1715 TIP3 H2 HT 0.417000 1.0080 0 20634 WAT 1716 TIP3 OH2 OT -0.834000 15.9994 0 20635 WAT 1716 TIP3 H1 HT 0.417000 1.0080 0 20636 WAT 1716 TIP3 H2 HT 0.417000 1.0080 0 20637 WAT 1717 TIP3 OH2 OT -0.834000 15.9994 0 20638 WAT 1717 TIP3 H1 HT 0.417000 1.0080 0 20639 WAT 1717 TIP3 H2 HT 0.417000 1.0080 0 20640 WAT 1718 TIP3 OH2 OT -0.834000 15.9994 0 20641 WAT 1718 TIP3 H1 HT 0.417000 1.0080 0 20642 WAT 1718 TIP3 H2 HT 0.417000 1.0080 0 20643 WAT 1719 TIP3 OH2 OT -0.834000 15.9994 0 20644 WAT 1719 TIP3 H1 HT 0.417000 1.0080 0 20645 WAT 1719 TIP3 H2 HT 0.417000 1.0080 0 20646 WAT 1720 TIP3 OH2 OT -0.834000 15.9994 0 20647 WAT 1720 TIP3 H1 HT 0.417000 1.0080 0 20648 WAT 1720 TIP3 H2 HT 0.417000 1.0080 0 20649 WAT 1721 TIP3 OH2 OT -0.834000 15.9994 0 20650 WAT 1721 TIP3 H1 HT 0.417000 1.0080 0 20651 WAT 1721 TIP3 H2 HT 0.417000 1.0080 0 20652 WAT 1722 TIP3 OH2 OT -0.834000 15.9994 0 20653 WAT 1722 TIP3 H1 HT 0.417000 1.0080 0 20654 WAT 1722 TIP3 H2 HT 0.417000 1.0080 0 20655 WAT 1723 TIP3 OH2 OT -0.834000 15.9994 0 20656 WAT 1723 TIP3 H1 HT 0.417000 1.0080 0 20657 WAT 1723 TIP3 H2 HT 0.417000 1.0080 0 20658 WAT 1724 TIP3 OH2 OT -0.834000 15.9994 0 20659 WAT 1724 TIP3 H1 HT 0.417000 1.0080 0 20660 WAT 1724 TIP3 H2 HT 0.417000 1.0080 0 20661 WAT 1725 TIP3 OH2 OT -0.834000 15.9994 0 20662 WAT 1725 TIP3 H1 HT 0.417000 1.0080 0 20663 WAT 1725 TIP3 H2 HT 0.417000 1.0080 0 20664 WAT 1726 TIP3 OH2 OT -0.834000 15.9994 0 20665 WAT 1726 TIP3 H1 HT 0.417000 1.0080 0 20666 WAT 1726 TIP3 H2 HT 0.417000 1.0080 0 20667 WAT 1727 TIP3 OH2 OT -0.834000 15.9994 0 20668 WAT 1727 TIP3 H1 HT 0.417000 1.0080 0 20669 WAT 1727 TIP3 H2 HT 0.417000 1.0080 0 20670 WAT 1728 TIP3 OH2 OT -0.834000 15.9994 0 20671 WAT 1728 TIP3 H1 HT 0.417000 1.0080 0 20672 WAT 1728 TIP3 H2 HT 0.417000 1.0080 0 20673 WAT 1729 TIP3 OH2 OT -0.834000 15.9994 0 20674 WAT 1729 TIP3 H1 HT 0.417000 1.0080 0 20675 WAT 1729 TIP3 H2 HT 0.417000 1.0080 0 20676 WAT 1730 TIP3 OH2 OT -0.834000 15.9994 0 20677 WAT 1730 TIP3 H1 HT 0.417000 1.0080 0 20678 WAT 1730 TIP3 H2 HT 0.417000 1.0080 0 20679 WAT 1731 TIP3 OH2 OT -0.834000 15.9994 0 20680 WAT 1731 TIP3 H1 HT 0.417000 1.0080 0 20681 WAT 1731 TIP3 H2 HT 0.417000 1.0080 0 20682 WAT 1732 TIP3 OH2 OT -0.834000 15.9994 0 20683 WAT 1732 TIP3 H1 HT 0.417000 1.0080 0 20684 WAT 1732 TIP3 H2 HT 0.417000 1.0080 0 20685 WAT 1733 TIP3 OH2 OT -0.834000 15.9994 0 20686 WAT 1733 TIP3 H1 HT 0.417000 1.0080 0 20687 WAT 1733 TIP3 H2 HT 0.417000 1.0080 0 20688 WAT 1734 TIP3 OH2 OT -0.834000 15.9994 0 20689 WAT 1734 TIP3 H1 HT 0.417000 1.0080 0 20690 WAT 1734 TIP3 H2 HT 0.417000 1.0080 0 20691 WAT 1735 TIP3 OH2 OT -0.834000 15.9994 0 20692 WAT 1735 TIP3 H1 HT 0.417000 1.0080 0 20693 WAT 1735 TIP3 H2 HT 0.417000 1.0080 0 20694 WAT 1736 TIP3 OH2 OT -0.834000 15.9994 0 20695 WAT 1736 TIP3 H1 HT 0.417000 1.0080 0 20696 WAT 1736 TIP3 H2 HT 0.417000 1.0080 0 20697 WAT 1737 TIP3 OH2 OT -0.834000 15.9994 0 20698 WAT 1737 TIP3 H1 HT 0.417000 1.0080 0 20699 WAT 1737 TIP3 H2 HT 0.417000 1.0080 0 20700 WAT 1738 TIP3 OH2 OT -0.834000 15.9994 0 20701 WAT 1738 TIP3 H1 HT 0.417000 1.0080 0 20702 WAT 1738 TIP3 H2 HT 0.417000 1.0080 0 20703 WAT 1739 TIP3 OH2 OT -0.834000 15.9994 0 20704 WAT 1739 TIP3 H1 HT 0.417000 1.0080 0 20705 WAT 1739 TIP3 H2 HT 0.417000 1.0080 0 20706 WAT 1740 TIP3 OH2 OT -0.834000 15.9994 0 20707 WAT 1740 TIP3 H1 HT 0.417000 1.0080 0 20708 WAT 1740 TIP3 H2 HT 0.417000 1.0080 0 20709 WAT 1741 TIP3 OH2 OT -0.834000 15.9994 0 20710 WAT 1741 TIP3 H1 HT 0.417000 1.0080 0 20711 WAT 1741 TIP3 H2 HT 0.417000 1.0080 0 20712 WAT 1742 TIP3 OH2 OT -0.834000 15.9994 0 20713 WAT 1742 TIP3 H1 HT 0.417000 1.0080 0 20714 WAT 1742 TIP3 H2 HT 0.417000 1.0080 0 20715 WAT 1743 TIP3 OH2 OT -0.834000 15.9994 0 20716 WAT 1743 TIP3 H1 HT 0.417000 1.0080 0 20717 WAT 1743 TIP3 H2 HT 0.417000 1.0080 0 20718 WAT 1744 TIP3 OH2 OT -0.834000 15.9994 0 20719 WAT 1744 TIP3 H1 HT 0.417000 1.0080 0 20720 WAT 1744 TIP3 H2 HT 0.417000 1.0080 0 20721 WAT 1745 TIP3 OH2 OT -0.834000 15.9994 0 20722 WAT 1745 TIP3 H1 HT 0.417000 1.0080 0 20723 WAT 1745 TIP3 H2 HT 0.417000 1.0080 0 20724 WAT 1746 TIP3 OH2 OT -0.834000 15.9994 0 20725 WAT 1746 TIP3 H1 HT 0.417000 1.0080 0 20726 WAT 1746 TIP3 H2 HT 0.417000 1.0080 0 20727 WAT 1747 TIP3 OH2 OT -0.834000 15.9994 0 20728 WAT 1747 TIP3 H1 HT 0.417000 1.0080 0 20729 WAT 1747 TIP3 H2 HT 0.417000 1.0080 0 20730 WAT 1748 TIP3 OH2 OT -0.834000 15.9994 0 20731 WAT 1748 TIP3 H1 HT 0.417000 1.0080 0 20732 WAT 1748 TIP3 H2 HT 0.417000 1.0080 0 20733 WAT 1749 TIP3 OH2 OT -0.834000 15.9994 0 20734 WAT 1749 TIP3 H1 HT 0.417000 1.0080 0 20735 WAT 1749 TIP3 H2 HT 0.417000 1.0080 0 20736 WAT 1750 TIP3 OH2 OT -0.834000 15.9994 0 20737 WAT 1750 TIP3 H1 HT 0.417000 1.0080 0 20738 WAT 1750 TIP3 H2 HT 0.417000 1.0080 0 20739 WAT 1751 TIP3 OH2 OT -0.834000 15.9994 0 20740 WAT 1751 TIP3 H1 HT 0.417000 1.0080 0 20741 WAT 1751 TIP3 H2 HT 0.417000 1.0080 0 20742 WAT 1752 TIP3 OH2 OT -0.834000 15.9994 0 20743 WAT 1752 TIP3 H1 HT 0.417000 1.0080 0 20744 WAT 1752 TIP3 H2 HT 0.417000 1.0080 0 20745 WAT 1753 TIP3 OH2 OT -0.834000 15.9994 0 20746 WAT 1753 TIP3 H1 HT 0.417000 1.0080 0 20747 WAT 1753 TIP3 H2 HT 0.417000 1.0080 0 20748 WAT 1754 TIP3 OH2 OT -0.834000 15.9994 0 20749 WAT 1754 TIP3 H1 HT 0.417000 1.0080 0 20750 WAT 1754 TIP3 H2 HT 0.417000 1.0080 0 20751 WAT 1755 TIP3 OH2 OT -0.834000 15.9994 0 20752 WAT 1755 TIP3 H1 HT 0.417000 1.0080 0 20753 WAT 1755 TIP3 H2 HT 0.417000 1.0080 0 20754 WAT 1756 TIP3 OH2 OT -0.834000 15.9994 0 20755 WAT 1756 TIP3 H1 HT 0.417000 1.0080 0 20756 WAT 1756 TIP3 H2 HT 0.417000 1.0080 0 20757 WAT 1757 TIP3 OH2 OT -0.834000 15.9994 0 20758 WAT 1757 TIP3 H1 HT 0.417000 1.0080 0 20759 WAT 1757 TIP3 H2 HT 0.417000 1.0080 0 20760 WAT 1758 TIP3 OH2 OT -0.834000 15.9994 0 20761 WAT 1758 TIP3 H1 HT 0.417000 1.0080 0 20762 WAT 1758 TIP3 H2 HT 0.417000 1.0080 0 20763 WAT 1759 TIP3 OH2 OT -0.834000 15.9994 0 20764 WAT 1759 TIP3 H1 HT 0.417000 1.0080 0 20765 WAT 1759 TIP3 H2 HT 0.417000 1.0080 0 20766 WAT 1760 TIP3 OH2 OT -0.834000 15.9994 0 20767 WAT 1760 TIP3 H1 HT 0.417000 1.0080 0 20768 WAT 1760 TIP3 H2 HT 0.417000 1.0080 0 20769 WAT 1761 TIP3 OH2 OT -0.834000 15.9994 0 20770 WAT 1761 TIP3 H1 HT 0.417000 1.0080 0 20771 WAT 1761 TIP3 H2 HT 0.417000 1.0080 0 20772 WAT 1762 TIP3 OH2 OT -0.834000 15.9994 0 20773 WAT 1762 TIP3 H1 HT 0.417000 1.0080 0 20774 WAT 1762 TIP3 H2 HT 0.417000 1.0080 0 20775 WAT 1763 TIP3 OH2 OT -0.834000 15.9994 0 20776 WAT 1763 TIP3 H1 HT 0.417000 1.0080 0 20777 WAT 1763 TIP3 H2 HT 0.417000 1.0080 0 20778 WAT 1764 TIP3 OH2 OT -0.834000 15.9994 0 20779 WAT 1764 TIP3 H1 HT 0.417000 1.0080 0 20780 WAT 1764 TIP3 H2 HT 0.417000 1.0080 0 20781 WAT 1765 TIP3 OH2 OT -0.834000 15.9994 0 20782 WAT 1765 TIP3 H1 HT 0.417000 1.0080 0 20783 WAT 1765 TIP3 H2 HT 0.417000 1.0080 0 20784 WAT 1766 TIP3 OH2 OT -0.834000 15.9994 0 20785 WAT 1766 TIP3 H1 HT 0.417000 1.0080 0 20786 WAT 1766 TIP3 H2 HT 0.417000 1.0080 0 20787 WAT 1767 TIP3 OH2 OT -0.834000 15.9994 0 20788 WAT 1767 TIP3 H1 HT 0.417000 1.0080 0 20789 WAT 1767 TIP3 H2 HT 0.417000 1.0080 0 20790 WAT 1768 TIP3 OH2 OT -0.834000 15.9994 0 20791 WAT 1768 TIP3 H1 HT 0.417000 1.0080 0 20792 WAT 1768 TIP3 H2 HT 0.417000 1.0080 0 20793 WAT 1769 TIP3 OH2 OT -0.834000 15.9994 0 20794 WAT 1769 TIP3 H1 HT 0.417000 1.0080 0 20795 WAT 1769 TIP3 H2 HT 0.417000 1.0080 0 20796 WAT 1770 TIP3 OH2 OT -0.834000 15.9994 0 20797 WAT 1770 TIP3 H1 HT 0.417000 1.0080 0 20798 WAT 1770 TIP3 H2 HT 0.417000 1.0080 0 20799 WAT 1771 TIP3 OH2 OT -0.834000 15.9994 0 20800 WAT 1771 TIP3 H1 HT 0.417000 1.0080 0 20801 WAT 1771 TIP3 H2 HT 0.417000 1.0080 0 20802 WAT 1772 TIP3 OH2 OT -0.834000 15.9994 0 20803 WAT 1772 TIP3 H1 HT 0.417000 1.0080 0 20804 WAT 1772 TIP3 H2 HT 0.417000 1.0080 0 20805 WAT 1773 TIP3 OH2 OT -0.834000 15.9994 0 20806 WAT 1773 TIP3 H1 HT 0.417000 1.0080 0 20807 WAT 1773 TIP3 H2 HT 0.417000 1.0080 0 20808 WAT 1774 TIP3 OH2 OT -0.834000 15.9994 0 20809 WAT 1774 TIP3 H1 HT 0.417000 1.0080 0 20810 WAT 1774 TIP3 H2 HT 0.417000 1.0080 0 20811 WAT 1775 TIP3 OH2 OT -0.834000 15.9994 0 20812 WAT 1775 TIP3 H1 HT 0.417000 1.0080 0 20813 WAT 1775 TIP3 H2 HT 0.417000 1.0080 0 20814 WAT 1776 TIP3 OH2 OT -0.834000 15.9994 0 20815 WAT 1776 TIP3 H1 HT 0.417000 1.0080 0 20816 WAT 1776 TIP3 H2 HT 0.417000 1.0080 0 20817 WAT 1777 TIP3 OH2 OT -0.834000 15.9994 0 20818 WAT 1777 TIP3 H1 HT 0.417000 1.0080 0 20819 WAT 1777 TIP3 H2 HT 0.417000 1.0080 0 20820 WAT 1778 TIP3 OH2 OT -0.834000 15.9994 0 20821 WAT 1778 TIP3 H1 HT 0.417000 1.0080 0 20822 WAT 1778 TIP3 H2 HT 0.417000 1.0080 0 20823 WAT 1779 TIP3 OH2 OT -0.834000 15.9994 0 20824 WAT 1779 TIP3 H1 HT 0.417000 1.0080 0 20825 WAT 1779 TIP3 H2 HT 0.417000 1.0080 0 20826 WAT 1780 TIP3 OH2 OT -0.834000 15.9994 0 20827 WAT 1780 TIP3 H1 HT 0.417000 1.0080 0 20828 WAT 1780 TIP3 H2 HT 0.417000 1.0080 0 20829 WAT 1781 TIP3 OH2 OT -0.834000 15.9994 0 20830 WAT 1781 TIP3 H1 HT 0.417000 1.0080 0 20831 WAT 1781 TIP3 H2 HT 0.417000 1.0080 0 20832 WAT 1782 TIP3 OH2 OT -0.834000 15.9994 0 20833 WAT 1782 TIP3 H1 HT 0.417000 1.0080 0 20834 WAT 1782 TIP3 H2 HT 0.417000 1.0080 0 20835 WAT 1783 TIP3 OH2 OT -0.834000 15.9994 0 20836 WAT 1783 TIP3 H1 HT 0.417000 1.0080 0 20837 WAT 1783 TIP3 H2 HT 0.417000 1.0080 0 20838 WAT 1784 TIP3 OH2 OT -0.834000 15.9994 0 20839 WAT 1784 TIP3 H1 HT 0.417000 1.0080 0 20840 WAT 1784 TIP3 H2 HT 0.417000 1.0080 0 20841 WAT 1785 TIP3 OH2 OT -0.834000 15.9994 0 20842 WAT 1785 TIP3 H1 HT 0.417000 1.0080 0 20843 WAT 1785 TIP3 H2 HT 0.417000 1.0080 0 20844 WAT 1786 TIP3 OH2 OT -0.834000 15.9994 0 20845 WAT 1786 TIP3 H1 HT 0.417000 1.0080 0 20846 WAT 1786 TIP3 H2 HT 0.417000 1.0080 0 20847 WAT 1787 TIP3 OH2 OT -0.834000 15.9994 0 20848 WAT 1787 TIP3 H1 HT 0.417000 1.0080 0 20849 WAT 1787 TIP3 H2 HT 0.417000 1.0080 0 20850 WAT 1788 TIP3 OH2 OT -0.834000 15.9994 0 20851 WAT 1788 TIP3 H1 HT 0.417000 1.0080 0 20852 WAT 1788 TIP3 H2 HT 0.417000 1.0080 0 20853 WAT 1789 TIP3 OH2 OT -0.834000 15.9994 0 20854 WAT 1789 TIP3 H1 HT 0.417000 1.0080 0 20855 WAT 1789 TIP3 H2 HT 0.417000 1.0080 0 20856 WAT 1790 TIP3 OH2 OT -0.834000 15.9994 0 20857 WAT 1790 TIP3 H1 HT 0.417000 1.0080 0 20858 WAT 1790 TIP3 H2 HT 0.417000 1.0080 0 20859 WAT 1791 TIP3 OH2 OT -0.834000 15.9994 0 20860 WAT 1791 TIP3 H1 HT 0.417000 1.0080 0 20861 WAT 1791 TIP3 H2 HT 0.417000 1.0080 0 20862 WAT 1792 TIP3 OH2 OT -0.834000 15.9994 0 20863 WAT 1792 TIP3 H1 HT 0.417000 1.0080 0 20864 WAT 1792 TIP3 H2 HT 0.417000 1.0080 0 20865 WAT 1793 TIP3 OH2 OT -0.834000 15.9994 0 20866 WAT 1793 TIP3 H1 HT 0.417000 1.0080 0 20867 WAT 1793 TIP3 H2 HT 0.417000 1.0080 0 20868 WAT 1794 TIP3 OH2 OT -0.834000 15.9994 0 20869 WAT 1794 TIP3 H1 HT 0.417000 1.0080 0 20870 WAT 1794 TIP3 H2 HT 0.417000 1.0080 0 20871 WAT 1795 TIP3 OH2 OT -0.834000 15.9994 0 20872 WAT 1795 TIP3 H1 HT 0.417000 1.0080 0 20873 WAT 1795 TIP3 H2 HT 0.417000 1.0080 0 20874 WAT 1796 TIP3 OH2 OT -0.834000 15.9994 0 20875 WAT 1796 TIP3 H1 HT 0.417000 1.0080 0 20876 WAT 1796 TIP3 H2 HT 0.417000 1.0080 0 20877 WAT 1797 TIP3 OH2 OT -0.834000 15.9994 0 20878 WAT 1797 TIP3 H1 HT 0.417000 1.0080 0 20879 WAT 1797 TIP3 H2 HT 0.417000 1.0080 0 20880 WAT 1798 TIP3 OH2 OT -0.834000 15.9994 0 20881 WAT 1798 TIP3 H1 HT 0.417000 1.0080 0 20882 WAT 1798 TIP3 H2 HT 0.417000 1.0080 0 20883 WAT 1799 TIP3 OH2 OT -0.834000 15.9994 0 20884 WAT 1799 TIP3 H1 HT 0.417000 1.0080 0 20885 WAT 1799 TIP3 H2 HT 0.417000 1.0080 0 20886 WAT 1800 TIP3 OH2 OT -0.834000 15.9994 0 20887 WAT 1800 TIP3 H1 HT 0.417000 1.0080 0 20888 WAT 1800 TIP3 H2 HT 0.417000 1.0080 0 20889 WAT 1801 TIP3 OH2 OT -0.834000 15.9994 0 20890 WAT 1801 TIP3 H1 HT 0.417000 1.0080 0 20891 WAT 1801 TIP3 H2 HT 0.417000 1.0080 0 20892 WAT 1802 TIP3 OH2 OT -0.834000 15.9994 0 20893 WAT 1802 TIP3 H1 HT 0.417000 1.0080 0 20894 WAT 1802 TIP3 H2 HT 0.417000 1.0080 0 20895 WAT 1803 TIP3 OH2 OT -0.834000 15.9994 0 20896 WAT 1803 TIP3 H1 HT 0.417000 1.0080 0 20897 WAT 1803 TIP3 H2 HT 0.417000 1.0080 0 20898 WAT 1804 TIP3 OH2 OT -0.834000 15.9994 0 20899 WAT 1804 TIP3 H1 HT 0.417000 1.0080 0 20900 WAT 1804 TIP3 H2 HT 0.417000 1.0080 0 20901 WAT 1805 TIP3 OH2 OT -0.834000 15.9994 0 20902 WAT 1805 TIP3 H1 HT 0.417000 1.0080 0 20903 WAT 1805 TIP3 H2 HT 0.417000 1.0080 0 20904 WAT 1806 TIP3 OH2 OT -0.834000 15.9994 0 20905 WAT 1806 TIP3 H1 HT 0.417000 1.0080 0 20906 WAT 1806 TIP3 H2 HT 0.417000 1.0080 0 20907 WAT 1807 TIP3 OH2 OT -0.834000 15.9994 0 20908 WAT 1807 TIP3 H1 HT 0.417000 1.0080 0 20909 WAT 1807 TIP3 H2 HT 0.417000 1.0080 0 20910 WAT 1808 TIP3 OH2 OT -0.834000 15.9994 0 20911 WAT 1808 TIP3 H1 HT 0.417000 1.0080 0 20912 WAT 1808 TIP3 H2 HT 0.417000 1.0080 0 20913 WAT 1809 TIP3 OH2 OT -0.834000 15.9994 0 20914 WAT 1809 TIP3 H1 HT 0.417000 1.0080 0 20915 WAT 1809 TIP3 H2 HT 0.417000 1.0080 0 20916 WAT 1810 TIP3 OH2 OT -0.834000 15.9994 0 20917 WAT 1810 TIP3 H1 HT 0.417000 1.0080 0 20918 WAT 1810 TIP3 H2 HT 0.417000 1.0080 0 20919 WAT 1811 TIP3 OH2 OT -0.834000 15.9994 0 20920 WAT 1811 TIP3 H1 HT 0.417000 1.0080 0 20921 WAT 1811 TIP3 H2 HT 0.417000 1.0080 0 20922 WAT 1812 TIP3 OH2 OT -0.834000 15.9994 0 20923 WAT 1812 TIP3 H1 HT 0.417000 1.0080 0 20924 WAT 1812 TIP3 H2 HT 0.417000 1.0080 0 20925 WAT 1813 TIP3 OH2 OT -0.834000 15.9994 0 20926 WAT 1813 TIP3 H1 HT 0.417000 1.0080 0 20927 WAT 1813 TIP3 H2 HT 0.417000 1.0080 0 20928 WAT 1814 TIP3 OH2 OT -0.834000 15.9994 0 20929 WAT 1814 TIP3 H1 HT 0.417000 1.0080 0 20930 WAT 1814 TIP3 H2 HT 0.417000 1.0080 0 20931 WAT 1815 TIP3 OH2 OT -0.834000 15.9994 0 20932 WAT 1815 TIP3 H1 HT 0.417000 1.0080 0 20933 WAT 1815 TIP3 H2 HT 0.417000 1.0080 0 20934 WAT 1816 TIP3 OH2 OT -0.834000 15.9994 0 20935 WAT 1816 TIP3 H1 HT 0.417000 1.0080 0 20936 WAT 1816 TIP3 H2 HT 0.417000 1.0080 0 20937 WAT 1817 TIP3 OH2 OT -0.834000 15.9994 0 20938 WAT 1817 TIP3 H1 HT 0.417000 1.0080 0 20939 WAT 1817 TIP3 H2 HT 0.417000 1.0080 0 20940 WAT 1818 TIP3 OH2 OT -0.834000 15.9994 0 20941 WAT 1818 TIP3 H1 HT 0.417000 1.0080 0 20942 WAT 1818 TIP3 H2 HT 0.417000 1.0080 0 20943 WAT 1819 TIP3 OH2 OT -0.834000 15.9994 0 20944 WAT 1819 TIP3 H1 HT 0.417000 1.0080 0 20945 WAT 1819 TIP3 H2 HT 0.417000 1.0080 0 20946 WAT 1820 TIP3 OH2 OT -0.834000 15.9994 0 20947 WAT 1820 TIP3 H1 HT 0.417000 1.0080 0 20948 WAT 1820 TIP3 H2 HT 0.417000 1.0080 0 20949 WAT 1821 TIP3 OH2 OT -0.834000 15.9994 0 20950 WAT 1821 TIP3 H1 HT 0.417000 1.0080 0 20951 WAT 1821 TIP3 H2 HT 0.417000 1.0080 0 20952 WAT 1822 TIP3 OH2 OT -0.834000 15.9994 0 20953 WAT 1822 TIP3 H1 HT 0.417000 1.0080 0 20954 WAT 1822 TIP3 H2 HT 0.417000 1.0080 0 20955 WAT 1823 TIP3 OH2 OT -0.834000 15.9994 0 20956 WAT 1823 TIP3 H1 HT 0.417000 1.0080 0 20957 WAT 1823 TIP3 H2 HT 0.417000 1.0080 0 20958 WAT 1824 TIP3 OH2 OT -0.834000 15.9994 0 20959 WAT 1824 TIP3 H1 HT 0.417000 1.0080 0 20960 WAT 1824 TIP3 H2 HT 0.417000 1.0080 0 20961 WAT 1825 TIP3 OH2 OT -0.834000 15.9994 0 20962 WAT 1825 TIP3 H1 HT 0.417000 1.0080 0 20963 WAT 1825 TIP3 H2 HT 0.417000 1.0080 0 20964 WAT 1826 TIP3 OH2 OT -0.834000 15.9994 0 20965 WAT 1826 TIP3 H1 HT 0.417000 1.0080 0 20966 WAT 1826 TIP3 H2 HT 0.417000 1.0080 0 20967 WAT 1827 TIP3 OH2 OT -0.834000 15.9994 0 20968 WAT 1827 TIP3 H1 HT 0.417000 1.0080 0 20969 WAT 1827 TIP3 H2 HT 0.417000 1.0080 0 20970 WAT 1828 TIP3 OH2 OT -0.834000 15.9994 0 20971 WAT 1828 TIP3 H1 HT 0.417000 1.0080 0 20972 WAT 1828 TIP3 H2 HT 0.417000 1.0080 0 20973 WAT 1829 TIP3 OH2 OT -0.834000 15.9994 0 20974 WAT 1829 TIP3 H1 HT 0.417000 1.0080 0 20975 WAT 1829 TIP3 H2 HT 0.417000 1.0080 0 20976 WAT 1830 TIP3 OH2 OT -0.834000 15.9994 0 20977 WAT 1830 TIP3 H1 HT 0.417000 1.0080 0 20978 WAT 1830 TIP3 H2 HT 0.417000 1.0080 0 20979 WAT 1831 TIP3 OH2 OT -0.834000 15.9994 0 20980 WAT 1831 TIP3 H1 HT 0.417000 1.0080 0 20981 WAT 1831 TIP3 H2 HT 0.417000 1.0080 0 20982 WAT 1832 TIP3 OH2 OT -0.834000 15.9994 0 20983 WAT 1832 TIP3 H1 HT 0.417000 1.0080 0 20984 WAT 1832 TIP3 H2 HT 0.417000 1.0080 0 20985 WAT 1833 TIP3 OH2 OT -0.834000 15.9994 0 20986 WAT 1833 TIP3 H1 HT 0.417000 1.0080 0 20987 WAT 1833 TIP3 H2 HT 0.417000 1.0080 0 20988 WAT 1834 TIP3 OH2 OT -0.834000 15.9994 0 20989 WAT 1834 TIP3 H1 HT 0.417000 1.0080 0 20990 WAT 1834 TIP3 H2 HT 0.417000 1.0080 0 20991 WAT 1835 TIP3 OH2 OT -0.834000 15.9994 0 20992 WAT 1835 TIP3 H1 HT 0.417000 1.0080 0 20993 WAT 1835 TIP3 H2 HT 0.417000 1.0080 0 20994 WAT 1836 TIP3 OH2 OT -0.834000 15.9994 0 20995 WAT 1836 TIP3 H1 HT 0.417000 1.0080 0 20996 WAT 1836 TIP3 H2 HT 0.417000 1.0080 0 20997 WAT 1837 TIP3 OH2 OT -0.834000 15.9994 0 20998 WAT 1837 TIP3 H1 HT 0.417000 1.0080 0 20999 WAT 1837 TIP3 H2 HT 0.417000 1.0080 0 21000 WAT 1838 TIP3 OH2 OT -0.834000 15.9994 0 21001 WAT 1838 TIP3 H1 HT 0.417000 1.0080 0 21002 WAT 1838 TIP3 H2 HT 0.417000 1.0080 0 21003 WAT 1839 TIP3 OH2 OT -0.834000 15.9994 0 21004 WAT 1839 TIP3 H1 HT 0.417000 1.0080 0 21005 WAT 1839 TIP3 H2 HT 0.417000 1.0080 0 21006 WAT 1840 TIP3 OH2 OT -0.834000 15.9994 0 21007 WAT 1840 TIP3 H1 HT 0.417000 1.0080 0 21008 WAT 1840 TIP3 H2 HT 0.417000 1.0080 0 21009 WAT 1841 TIP3 OH2 OT -0.834000 15.9994 0 21010 WAT 1841 TIP3 H1 HT 0.417000 1.0080 0 21011 WAT 1841 TIP3 H2 HT 0.417000 1.0080 0 21012 WAT 1842 TIP3 OH2 OT -0.834000 15.9994 0 21013 WAT 1842 TIP3 H1 HT 0.417000 1.0080 0 21014 WAT 1842 TIP3 H2 HT 0.417000 1.0080 0 21015 WAT 1843 TIP3 OH2 OT -0.834000 15.9994 0 21016 WAT 1843 TIP3 H1 HT 0.417000 1.0080 0 21017 WAT 1843 TIP3 H2 HT 0.417000 1.0080 0 21018 WAT 1844 TIP3 OH2 OT -0.834000 15.9994 0 21019 WAT 1844 TIP3 H1 HT 0.417000 1.0080 0 21020 WAT 1844 TIP3 H2 HT 0.417000 1.0080 0 21021 WAT 1845 TIP3 OH2 OT -0.834000 15.9994 0 21022 WAT 1845 TIP3 H1 HT 0.417000 1.0080 0 21023 WAT 1845 TIP3 H2 HT 0.417000 1.0080 0 21024 WAT 1846 TIP3 OH2 OT -0.834000 15.9994 0 21025 WAT 1846 TIP3 H1 HT 0.417000 1.0080 0 21026 WAT 1846 TIP3 H2 HT 0.417000 1.0080 0 21027 WAT 1847 TIP3 OH2 OT -0.834000 15.9994 0 21028 WAT 1847 TIP3 H1 HT 0.417000 1.0080 0 21029 WAT 1847 TIP3 H2 HT 0.417000 1.0080 0 21030 WAT 1848 TIP3 OH2 OT -0.834000 15.9994 0 21031 WAT 1848 TIP3 H1 HT 0.417000 1.0080 0 21032 WAT 1848 TIP3 H2 HT 0.417000 1.0080 0 21033 WAT 1849 TIP3 OH2 OT -0.834000 15.9994 0 21034 WAT 1849 TIP3 H1 HT 0.417000 1.0080 0 21035 WAT 1849 TIP3 H2 HT 0.417000 1.0080 0 21036 WAT 1850 TIP3 OH2 OT -0.834000 15.9994 0 21037 WAT 1850 TIP3 H1 HT 0.417000 1.0080 0 21038 WAT 1850 TIP3 H2 HT 0.417000 1.0080 0 21039 WAT 1851 TIP3 OH2 OT -0.834000 15.9994 0 21040 WAT 1851 TIP3 H1 HT 0.417000 1.0080 0 21041 WAT 1851 TIP3 H2 HT 0.417000 1.0080 0 21042 WAT 1852 TIP3 OH2 OT -0.834000 15.9994 0 21043 WAT 1852 TIP3 H1 HT 0.417000 1.0080 0 21044 WAT 1852 TIP3 H2 HT 0.417000 1.0080 0 21045 WAT 1853 TIP3 OH2 OT -0.834000 15.9994 0 21046 WAT 1853 TIP3 H1 HT 0.417000 1.0080 0 21047 WAT 1853 TIP3 H2 HT 0.417000 1.0080 0 21048 WAT 1854 TIP3 OH2 OT -0.834000 15.9994 0 21049 WAT 1854 TIP3 H1 HT 0.417000 1.0080 0 21050 WAT 1854 TIP3 H2 HT 0.417000 1.0080 0 21051 WAT 1855 TIP3 OH2 OT -0.834000 15.9994 0 21052 WAT 1855 TIP3 H1 HT 0.417000 1.0080 0 21053 WAT 1855 TIP3 H2 HT 0.417000 1.0080 0 21054 WAT 1856 TIP3 OH2 OT -0.834000 15.9994 0 21055 WAT 1856 TIP3 H1 HT 0.417000 1.0080 0 21056 WAT 1856 TIP3 H2 HT 0.417000 1.0080 0 21057 WAT 1857 TIP3 OH2 OT -0.834000 15.9994 0 21058 WAT 1857 TIP3 H1 HT 0.417000 1.0080 0 21059 WAT 1857 TIP3 H2 HT 0.417000 1.0080 0 21060 WAT 1858 TIP3 OH2 OT -0.834000 15.9994 0 21061 WAT 1858 TIP3 H1 HT 0.417000 1.0080 0 21062 WAT 1858 TIP3 H2 HT 0.417000 1.0080 0 21063 WAT 1859 TIP3 OH2 OT -0.834000 15.9994 0 21064 WAT 1859 TIP3 H1 HT 0.417000 1.0080 0 21065 WAT 1859 TIP3 H2 HT 0.417000 1.0080 0 21066 WAT 1860 TIP3 OH2 OT -0.834000 15.9994 0 21067 WAT 1860 TIP3 H1 HT 0.417000 1.0080 0 21068 WAT 1860 TIP3 H2 HT 0.417000 1.0080 0 21069 WAT 1861 TIP3 OH2 OT -0.834000 15.9994 0 21070 WAT 1861 TIP3 H1 HT 0.417000 1.0080 0 21071 WAT 1861 TIP3 H2 HT 0.417000 1.0080 0 21072 WAT 1862 TIP3 OH2 OT -0.834000 15.9994 0 21073 WAT 1862 TIP3 H1 HT 0.417000 1.0080 0 21074 WAT 1862 TIP3 H2 HT 0.417000 1.0080 0 21075 WAT 1863 TIP3 OH2 OT -0.834000 15.9994 0 21076 WAT 1863 TIP3 H1 HT 0.417000 1.0080 0 21077 WAT 1863 TIP3 H2 HT 0.417000 1.0080 0 21078 WAT 1864 TIP3 OH2 OT -0.834000 15.9994 0 21079 WAT 1864 TIP3 H1 HT 0.417000 1.0080 0 21080 WAT 1864 TIP3 H2 HT 0.417000 1.0080 0 21081 WAT 1865 TIP3 OH2 OT -0.834000 15.9994 0 21082 WAT 1865 TIP3 H1 HT 0.417000 1.0080 0 21083 WAT 1865 TIP3 H2 HT 0.417000 1.0080 0 21084 WAT 1866 TIP3 OH2 OT -0.834000 15.9994 0 21085 WAT 1866 TIP3 H1 HT 0.417000 1.0080 0 21086 WAT 1866 TIP3 H2 HT 0.417000 1.0080 0 21087 WAT 1867 TIP3 OH2 OT -0.834000 15.9994 0 21088 WAT 1867 TIP3 H1 HT 0.417000 1.0080 0 21089 WAT 1867 TIP3 H2 HT 0.417000 1.0080 0 21090 WAT 1868 TIP3 OH2 OT -0.834000 15.9994 0 21091 WAT 1868 TIP3 H1 HT 0.417000 1.0080 0 21092 WAT 1868 TIP3 H2 HT 0.417000 1.0080 0 21093 WAT 1869 TIP3 OH2 OT -0.834000 15.9994 0 21094 WAT 1869 TIP3 H1 HT 0.417000 1.0080 0 21095 WAT 1869 TIP3 H2 HT 0.417000 1.0080 0 21096 WAT 1870 TIP3 OH2 OT -0.834000 15.9994 0 21097 WAT 1870 TIP3 H1 HT 0.417000 1.0080 0 21098 WAT 1870 TIP3 H2 HT 0.417000 1.0080 0 21099 WAT 1871 TIP3 OH2 OT -0.834000 15.9994 0 21100 WAT 1871 TIP3 H1 HT 0.417000 1.0080 0 21101 WAT 1871 TIP3 H2 HT 0.417000 1.0080 0 21102 WAT 1872 TIP3 OH2 OT -0.834000 15.9994 0 21103 WAT 1872 TIP3 H1 HT 0.417000 1.0080 0 21104 WAT 1872 TIP3 H2 HT 0.417000 1.0080 0 21105 WAT 1873 TIP3 OH2 OT -0.834000 15.9994 0 21106 WAT 1873 TIP3 H1 HT 0.417000 1.0080 0 21107 WAT 1873 TIP3 H2 HT 0.417000 1.0080 0 21108 WAT 1874 TIP3 OH2 OT -0.834000 15.9994 0 21109 WAT 1874 TIP3 H1 HT 0.417000 1.0080 0 21110 WAT 1874 TIP3 H2 HT 0.417000 1.0080 0 21111 WAT 1875 TIP3 OH2 OT -0.834000 15.9994 0 21112 WAT 1875 TIP3 H1 HT 0.417000 1.0080 0 21113 WAT 1875 TIP3 H2 HT 0.417000 1.0080 0 21114 WAT 1876 TIP3 OH2 OT -0.834000 15.9994 0 21115 WAT 1876 TIP3 H1 HT 0.417000 1.0080 0 21116 WAT 1876 TIP3 H2 HT 0.417000 1.0080 0 21117 WAT 1877 TIP3 OH2 OT -0.834000 15.9994 0 21118 WAT 1877 TIP3 H1 HT 0.417000 1.0080 0 21119 WAT 1877 TIP3 H2 HT 0.417000 1.0080 0 21120 WAT 1878 TIP3 OH2 OT -0.834000 15.9994 0 21121 WAT 1878 TIP3 H1 HT 0.417000 1.0080 0 21122 WAT 1878 TIP3 H2 HT 0.417000 1.0080 0 21123 WAT 1879 TIP3 OH2 OT -0.834000 15.9994 0 21124 WAT 1879 TIP3 H1 HT 0.417000 1.0080 0 21125 WAT 1879 TIP3 H2 HT 0.417000 1.0080 0 21126 WAT 1880 TIP3 OH2 OT -0.834000 15.9994 0 21127 WAT 1880 TIP3 H1 HT 0.417000 1.0080 0 21128 WAT 1880 TIP3 H2 HT 0.417000 1.0080 0 21129 WAT 1881 TIP3 OH2 OT -0.834000 15.9994 0 21130 WAT 1881 TIP3 H1 HT 0.417000 1.0080 0 21131 WAT 1881 TIP3 H2 HT 0.417000 1.0080 0 21132 WAT 1882 TIP3 OH2 OT -0.834000 15.9994 0 21133 WAT 1882 TIP3 H1 HT 0.417000 1.0080 0 21134 WAT 1882 TIP3 H2 HT 0.417000 1.0080 0 21135 WAT 1883 TIP3 OH2 OT -0.834000 15.9994 0 21136 WAT 1883 TIP3 H1 HT 0.417000 1.0080 0 21137 WAT 1883 TIP3 H2 HT 0.417000 1.0080 0 21138 WAT 1884 TIP3 OH2 OT -0.834000 15.9994 0 21139 WAT 1884 TIP3 H1 HT 0.417000 1.0080 0 21140 WAT 1884 TIP3 H2 HT 0.417000 1.0080 0 21141 WAT 1885 TIP3 OH2 OT -0.834000 15.9994 0 21142 WAT 1885 TIP3 H1 HT 0.417000 1.0080 0 21143 WAT 1885 TIP3 H2 HT 0.417000 1.0080 0 21144 WAT 1886 TIP3 OH2 OT -0.834000 15.9994 0 21145 WAT 1886 TIP3 H1 HT 0.417000 1.0080 0 21146 WAT 1886 TIP3 H2 HT 0.417000 1.0080 0 21147 WAT 1887 TIP3 OH2 OT -0.834000 15.9994 0 21148 WAT 1887 TIP3 H1 HT 0.417000 1.0080 0 21149 WAT 1887 TIP3 H2 HT 0.417000 1.0080 0 21150 WAT 1888 TIP3 OH2 OT -0.834000 15.9994 0 21151 WAT 1888 TIP3 H1 HT 0.417000 1.0080 0 21152 WAT 1888 TIP3 H2 HT 0.417000 1.0080 0 21153 WAT 1889 TIP3 OH2 OT -0.834000 15.9994 0 21154 WAT 1889 TIP3 H1 HT 0.417000 1.0080 0 21155 WAT 1889 TIP3 H2 HT 0.417000 1.0080 0 21156 WAT 1890 TIP3 OH2 OT -0.834000 15.9994 0 21157 WAT 1890 TIP3 H1 HT 0.417000 1.0080 0 21158 WAT 1890 TIP3 H2 HT 0.417000 1.0080 0 21159 WAT 1891 TIP3 OH2 OT -0.834000 15.9994 0 21160 WAT 1891 TIP3 H1 HT 0.417000 1.0080 0 21161 WAT 1891 TIP3 H2 HT 0.417000 1.0080 0 21162 WAT 1892 TIP3 OH2 OT -0.834000 15.9994 0 21163 WAT 1892 TIP3 H1 HT 0.417000 1.0080 0 21164 WAT 1892 TIP3 H2 HT 0.417000 1.0080 0 21165 WAT 1893 TIP3 OH2 OT -0.834000 15.9994 0 21166 WAT 1893 TIP3 H1 HT 0.417000 1.0080 0 21167 WAT 1893 TIP3 H2 HT 0.417000 1.0080 0 21168 WAT 1894 TIP3 OH2 OT -0.834000 15.9994 0 21169 WAT 1894 TIP3 H1 HT 0.417000 1.0080 0 21170 WAT 1894 TIP3 H2 HT 0.417000 1.0080 0 21171 WAT 1895 TIP3 OH2 OT -0.834000 15.9994 0 21172 WAT 1895 TIP3 H1 HT 0.417000 1.0080 0 21173 WAT 1895 TIP3 H2 HT 0.417000 1.0080 0 21174 WAT 1896 TIP3 OH2 OT -0.834000 15.9994 0 21175 WAT 1896 TIP3 H1 HT 0.417000 1.0080 0 21176 WAT 1896 TIP3 H2 HT 0.417000 1.0080 0 21177 WAT 1897 TIP3 OH2 OT -0.834000 15.9994 0 21178 WAT 1897 TIP3 H1 HT 0.417000 1.0080 0 21179 WAT 1897 TIP3 H2 HT 0.417000 1.0080 0 21180 WAT 1898 TIP3 OH2 OT -0.834000 15.9994 0 21181 WAT 1898 TIP3 H1 HT 0.417000 1.0080 0 21182 WAT 1898 TIP3 H2 HT 0.417000 1.0080 0 21183 WAT 1899 TIP3 OH2 OT -0.834000 15.9994 0 21184 WAT 1899 TIP3 H1 HT 0.417000 1.0080 0 21185 WAT 1899 TIP3 H2 HT 0.417000 1.0080 0 21186 WAT 1900 TIP3 OH2 OT -0.834000 15.9994 0 21187 WAT 1900 TIP3 H1 HT 0.417000 1.0080 0 21188 WAT 1900 TIP3 H2 HT 0.417000 1.0080 0 21189 WAT 1901 TIP3 OH2 OT -0.834000 15.9994 0 21190 WAT 1901 TIP3 H1 HT 0.417000 1.0080 0 21191 WAT 1901 TIP3 H2 HT 0.417000 1.0080 0 21192 WAT 1902 TIP3 OH2 OT -0.834000 15.9994 0 21193 WAT 1902 TIP3 H1 HT 0.417000 1.0080 0 21194 WAT 1902 TIP3 H2 HT 0.417000 1.0080 0 21195 WAT 1903 TIP3 OH2 OT -0.834000 15.9994 0 21196 WAT 1903 TIP3 H1 HT 0.417000 1.0080 0 21197 WAT 1903 TIP3 H2 HT 0.417000 1.0080 0 21198 WAT 1904 TIP3 OH2 OT -0.834000 15.9994 0 21199 WAT 1904 TIP3 H1 HT 0.417000 1.0080 0 21200 WAT 1904 TIP3 H2 HT 0.417000 1.0080 0 21201 WAT 1905 TIP3 OH2 OT -0.834000 15.9994 0 21202 WAT 1905 TIP3 H1 HT 0.417000 1.0080 0 21203 WAT 1905 TIP3 H2 HT 0.417000 1.0080 0 21204 WAT 1906 TIP3 OH2 OT -0.834000 15.9994 0 21205 WAT 1906 TIP3 H1 HT 0.417000 1.0080 0 21206 WAT 1906 TIP3 H2 HT 0.417000 1.0080 0 21207 WAT 1907 TIP3 OH2 OT -0.834000 15.9994 0 21208 WAT 1907 TIP3 H1 HT 0.417000 1.0080 0 21209 WAT 1907 TIP3 H2 HT 0.417000 1.0080 0 21210 WAT 1908 TIP3 OH2 OT -0.834000 15.9994 0 21211 WAT 1908 TIP3 H1 HT 0.417000 1.0080 0 21212 WAT 1908 TIP3 H2 HT 0.417000 1.0080 0 21213 WAT 1909 TIP3 OH2 OT -0.834000 15.9994 0 21214 WAT 1909 TIP3 H1 HT 0.417000 1.0080 0 21215 WAT 1909 TIP3 H2 HT 0.417000 1.0080 0 21216 WAT 1910 TIP3 OH2 OT -0.834000 15.9994 0 21217 WAT 1910 TIP3 H1 HT 0.417000 1.0080 0 21218 WAT 1910 TIP3 H2 HT 0.417000 1.0080 0 21219 WAT 1911 TIP3 OH2 OT -0.834000 15.9994 0 21220 WAT 1911 TIP3 H1 HT 0.417000 1.0080 0 21221 WAT 1911 TIP3 H2 HT 0.417000 1.0080 0 21222 WAT 1912 TIP3 OH2 OT -0.834000 15.9994 0 21223 WAT 1912 TIP3 H1 HT 0.417000 1.0080 0 21224 WAT 1912 TIP3 H2 HT 0.417000 1.0080 0 21225 WAT 1913 TIP3 OH2 OT -0.834000 15.9994 0 21226 WAT 1913 TIP3 H1 HT 0.417000 1.0080 0 21227 WAT 1913 TIP3 H2 HT 0.417000 1.0080 0 21228 WAT 1914 TIP3 OH2 OT -0.834000 15.9994 0 21229 WAT 1914 TIP3 H1 HT 0.417000 1.0080 0 21230 WAT 1914 TIP3 H2 HT 0.417000 1.0080 0 21231 WAT 1915 TIP3 OH2 OT -0.834000 15.9994 0 21232 WAT 1915 TIP3 H1 HT 0.417000 1.0080 0 21233 WAT 1915 TIP3 H2 HT 0.417000 1.0080 0 21234 WAT 1916 TIP3 OH2 OT -0.834000 15.9994 0 21235 WAT 1916 TIP3 H1 HT 0.417000 1.0080 0 21236 WAT 1916 TIP3 H2 HT 0.417000 1.0080 0 21237 WAT 1917 TIP3 OH2 OT -0.834000 15.9994 0 21238 WAT 1917 TIP3 H1 HT 0.417000 1.0080 0 21239 WAT 1917 TIP3 H2 HT 0.417000 1.0080 0 21240 WAT 1918 TIP3 OH2 OT -0.834000 15.9994 0 21241 WAT 1918 TIP3 H1 HT 0.417000 1.0080 0 21242 WAT 1918 TIP3 H2 HT 0.417000 1.0080 0 21243 WAT 1919 TIP3 OH2 OT -0.834000 15.9994 0 21244 WAT 1919 TIP3 H1 HT 0.417000 1.0080 0 21245 WAT 1919 TIP3 H2 HT 0.417000 1.0080 0 21246 WAT 1920 TIP3 OH2 OT -0.834000 15.9994 0 21247 WAT 1920 TIP3 H1 HT 0.417000 1.0080 0 21248 WAT 1920 TIP3 H2 HT 0.417000 1.0080 0 21249 WAT 1921 TIP3 OH2 OT -0.834000 15.9994 0 21250 WAT 1921 TIP3 H1 HT 0.417000 1.0080 0 21251 WAT 1921 TIP3 H2 HT 0.417000 1.0080 0 21252 WAT 1922 TIP3 OH2 OT -0.834000 15.9994 0 21253 WAT 1922 TIP3 H1 HT 0.417000 1.0080 0 21254 WAT 1922 TIP3 H2 HT 0.417000 1.0080 0 21255 WAT 1923 TIP3 OH2 OT -0.834000 15.9994 0 21256 WAT 1923 TIP3 H1 HT 0.417000 1.0080 0 21257 WAT 1923 TIP3 H2 HT 0.417000 1.0080 0 21258 WAT 1924 TIP3 OH2 OT -0.834000 15.9994 0 21259 WAT 1924 TIP3 H1 HT 0.417000 1.0080 0 21260 WAT 1924 TIP3 H2 HT 0.417000 1.0080 0 21261 WAT 1925 TIP3 OH2 OT -0.834000 15.9994 0 21262 WAT 1925 TIP3 H1 HT 0.417000 1.0080 0 21263 WAT 1925 TIP3 H2 HT 0.417000 1.0080 0 21264 WAT 1926 TIP3 OH2 OT -0.834000 15.9994 0 21265 WAT 1926 TIP3 H1 HT 0.417000 1.0080 0 21266 WAT 1926 TIP3 H2 HT 0.417000 1.0080 0 21267 WAT 1927 TIP3 OH2 OT -0.834000 15.9994 0 21268 WAT 1927 TIP3 H1 HT 0.417000 1.0080 0 21269 WAT 1927 TIP3 H2 HT 0.417000 1.0080 0 21270 WAT 1928 TIP3 OH2 OT -0.834000 15.9994 0 21271 WAT 1928 TIP3 H1 HT 0.417000 1.0080 0 21272 WAT 1928 TIP3 H2 HT 0.417000 1.0080 0 21273 WAT 1929 TIP3 OH2 OT -0.834000 15.9994 0 21274 WAT 1929 TIP3 H1 HT 0.417000 1.0080 0 21275 WAT 1929 TIP3 H2 HT 0.417000 1.0080 0 21276 WAT 1930 TIP3 OH2 OT -0.834000 15.9994 0 21277 WAT 1930 TIP3 H1 HT 0.417000 1.0080 0 21278 WAT 1930 TIP3 H2 HT 0.417000 1.0080 0 21279 WAT 1931 TIP3 OH2 OT -0.834000 15.9994 0 21280 WAT 1931 TIP3 H1 HT 0.417000 1.0080 0 21281 WAT 1931 TIP3 H2 HT 0.417000 1.0080 0 21282 WAT 1932 TIP3 OH2 OT -0.834000 15.9994 0 21283 WAT 1932 TIP3 H1 HT 0.417000 1.0080 0 21284 WAT 1932 TIP3 H2 HT 0.417000 1.0080 0 21285 WAT 1933 TIP3 OH2 OT -0.834000 15.9994 0 21286 WAT 1933 TIP3 H1 HT 0.417000 1.0080 0 21287 WAT 1933 TIP3 H2 HT 0.417000 1.0080 0 21288 WAT 1934 TIP3 OH2 OT -0.834000 15.9994 0 21289 WAT 1934 TIP3 H1 HT 0.417000 1.0080 0 21290 WAT 1934 TIP3 H2 HT 0.417000 1.0080 0 21291 WAT 1935 TIP3 OH2 OT -0.834000 15.9994 0 21292 WAT 1935 TIP3 H1 HT 0.417000 1.0080 0 21293 WAT 1935 TIP3 H2 HT 0.417000 1.0080 0 21294 WAT 1936 TIP3 OH2 OT -0.834000 15.9994 0 21295 WAT 1936 TIP3 H1 HT 0.417000 1.0080 0 21296 WAT 1936 TIP3 H2 HT 0.417000 1.0080 0 21297 WAT 1937 TIP3 OH2 OT -0.834000 15.9994 0 21298 WAT 1937 TIP3 H1 HT 0.417000 1.0080 0 21299 WAT 1937 TIP3 H2 HT 0.417000 1.0080 0 21300 WAT 1938 TIP3 OH2 OT -0.834000 15.9994 0 21301 WAT 1938 TIP3 H1 HT 0.417000 1.0080 0 21302 WAT 1938 TIP3 H2 HT 0.417000 1.0080 0 21303 WAT 1939 TIP3 OH2 OT -0.834000 15.9994 0 21304 WAT 1939 TIP3 H1 HT 0.417000 1.0080 0 21305 WAT 1939 TIP3 H2 HT 0.417000 1.0080 0 21306 WAT 1940 TIP3 OH2 OT -0.834000 15.9994 0 21307 WAT 1940 TIP3 H1 HT 0.417000 1.0080 0 21308 WAT 1940 TIP3 H2 HT 0.417000 1.0080 0 21309 WAT 1941 TIP3 OH2 OT -0.834000 15.9994 0 21310 WAT 1941 TIP3 H1 HT 0.417000 1.0080 0 21311 WAT 1941 TIP3 H2 HT 0.417000 1.0080 0 21312 WAT 1942 TIP3 OH2 OT -0.834000 15.9994 0 21313 WAT 1942 TIP3 H1 HT 0.417000 1.0080 0 21314 WAT 1942 TIP3 H2 HT 0.417000 1.0080 0 21315 WAT 1943 TIP3 OH2 OT -0.834000 15.9994 0 21316 WAT 1943 TIP3 H1 HT 0.417000 1.0080 0 21317 WAT 1943 TIP3 H2 HT 0.417000 1.0080 0 21318 WAT 1944 TIP3 OH2 OT -0.834000 15.9994 0 21319 WAT 1944 TIP3 H1 HT 0.417000 1.0080 0 21320 WAT 1944 TIP3 H2 HT 0.417000 1.0080 0 21321 WAT 1945 TIP3 OH2 OT -0.834000 15.9994 0 21322 WAT 1945 TIP3 H1 HT 0.417000 1.0080 0 21323 WAT 1945 TIP3 H2 HT 0.417000 1.0080 0 21324 WAT 1946 TIP3 OH2 OT -0.834000 15.9994 0 21325 WAT 1946 TIP3 H1 HT 0.417000 1.0080 0 21326 WAT 1946 TIP3 H2 HT 0.417000 1.0080 0 21327 WAT 1947 TIP3 OH2 OT -0.834000 15.9994 0 21328 WAT 1947 TIP3 H1 HT 0.417000 1.0080 0 21329 WAT 1947 TIP3 H2 HT 0.417000 1.0080 0 21330 WAT 1948 TIP3 OH2 OT -0.834000 15.9994 0 21331 WAT 1948 TIP3 H1 HT 0.417000 1.0080 0 21332 WAT 1948 TIP3 H2 HT 0.417000 1.0080 0 21333 WAT 1949 TIP3 OH2 OT -0.834000 15.9994 0 21334 WAT 1949 TIP3 H1 HT 0.417000 1.0080 0 21335 WAT 1949 TIP3 H2 HT 0.417000 1.0080 0 21336 WAT 1950 TIP3 OH2 OT -0.834000 15.9994 0 21337 WAT 1950 TIP3 H1 HT 0.417000 1.0080 0 21338 WAT 1950 TIP3 H2 HT 0.417000 1.0080 0 21339 WAT 1951 TIP3 OH2 OT -0.834000 15.9994 0 21340 WAT 1951 TIP3 H1 HT 0.417000 1.0080 0 21341 WAT 1951 TIP3 H2 HT 0.417000 1.0080 0 21342 WAT 1952 TIP3 OH2 OT -0.834000 15.9994 0 21343 WAT 1952 TIP3 H1 HT 0.417000 1.0080 0 21344 WAT 1952 TIP3 H2 HT 0.417000 1.0080 0 21345 WAT 1953 TIP3 OH2 OT -0.834000 15.9994 0 21346 WAT 1953 TIP3 H1 HT 0.417000 1.0080 0 21347 WAT 1953 TIP3 H2 HT 0.417000 1.0080 0 21348 WAT 1954 TIP3 OH2 OT -0.834000 15.9994 0 21349 WAT 1954 TIP3 H1 HT 0.417000 1.0080 0 21350 WAT 1954 TIP3 H2 HT 0.417000 1.0080 0 21351 WAT 1955 TIP3 OH2 OT -0.834000 15.9994 0 21352 WAT 1955 TIP3 H1 HT 0.417000 1.0080 0 21353 WAT 1955 TIP3 H2 HT 0.417000 1.0080 0 21354 WAT 1956 TIP3 OH2 OT -0.834000 15.9994 0 21355 WAT 1956 TIP3 H1 HT 0.417000 1.0080 0 21356 WAT 1956 TIP3 H2 HT 0.417000 1.0080 0 21357 WAT 1957 TIP3 OH2 OT -0.834000 15.9994 0 21358 WAT 1957 TIP3 H1 HT 0.417000 1.0080 0 21359 WAT 1957 TIP3 H2 HT 0.417000 1.0080 0 21360 WAT 1958 TIP3 OH2 OT -0.834000 15.9994 0 21361 WAT 1958 TIP3 H1 HT 0.417000 1.0080 0 21362 WAT 1958 TIP3 H2 HT 0.417000 1.0080 0 21363 WAT 1959 TIP3 OH2 OT -0.834000 15.9994 0 21364 WAT 1959 TIP3 H1 HT 0.417000 1.0080 0 21365 WAT 1959 TIP3 H2 HT 0.417000 1.0080 0 21366 WAT 1960 TIP3 OH2 OT -0.834000 15.9994 0 21367 WAT 1960 TIP3 H1 HT 0.417000 1.0080 0 21368 WAT 1960 TIP3 H2 HT 0.417000 1.0080 0 21369 WAT 1961 TIP3 OH2 OT -0.834000 15.9994 0 21370 WAT 1961 TIP3 H1 HT 0.417000 1.0080 0 21371 WAT 1961 TIP3 H2 HT 0.417000 1.0080 0 21372 WAT 1962 TIP3 OH2 OT -0.834000 15.9994 0 21373 WAT 1962 TIP3 H1 HT 0.417000 1.0080 0 21374 WAT 1962 TIP3 H2 HT 0.417000 1.0080 0 21375 WAT 1963 TIP3 OH2 OT -0.834000 15.9994 0 21376 WAT 1963 TIP3 H1 HT 0.417000 1.0080 0 21377 WAT 1963 TIP3 H2 HT 0.417000 1.0080 0 21378 WAT 1964 TIP3 OH2 OT -0.834000 15.9994 0 21379 WAT 1964 TIP3 H1 HT 0.417000 1.0080 0 21380 WAT 1964 TIP3 H2 HT 0.417000 1.0080 0 21381 WAT 1965 TIP3 OH2 OT -0.834000 15.9994 0 21382 WAT 1965 TIP3 H1 HT 0.417000 1.0080 0 21383 WAT 1965 TIP3 H2 HT 0.417000 1.0080 0 21384 WAT 1966 TIP3 OH2 OT -0.834000 15.9994 0 21385 WAT 1966 TIP3 H1 HT 0.417000 1.0080 0 21386 WAT 1966 TIP3 H2 HT 0.417000 1.0080 0 21387 WAT 1967 TIP3 OH2 OT -0.834000 15.9994 0 21388 WAT 1967 TIP3 H1 HT 0.417000 1.0080 0 21389 WAT 1967 TIP3 H2 HT 0.417000 1.0080 0 21390 WAT 1968 TIP3 OH2 OT -0.834000 15.9994 0 21391 WAT 1968 TIP3 H1 HT 0.417000 1.0080 0 21392 WAT 1968 TIP3 H2 HT 0.417000 1.0080 0 21393 WAT 1969 TIP3 OH2 OT -0.834000 15.9994 0 21394 WAT 1969 TIP3 H1 HT 0.417000 1.0080 0 21395 WAT 1969 TIP3 H2 HT 0.417000 1.0080 0 21396 WAT 1970 TIP3 OH2 OT -0.834000 15.9994 0 21397 WAT 1970 TIP3 H1 HT 0.417000 1.0080 0 21398 WAT 1970 TIP3 H2 HT 0.417000 1.0080 0 21399 WAT 1971 TIP3 OH2 OT -0.834000 15.9994 0 21400 WAT 1971 TIP3 H1 HT 0.417000 1.0080 0 21401 WAT 1971 TIP3 H2 HT 0.417000 1.0080 0 21402 WAT 1972 TIP3 OH2 OT -0.834000 15.9994 0 21403 WAT 1972 TIP3 H1 HT 0.417000 1.0080 0 21404 WAT 1972 TIP3 H2 HT 0.417000 1.0080 0 21405 WAT 1973 TIP3 OH2 OT -0.834000 15.9994 0 21406 WAT 1973 TIP3 H1 HT 0.417000 1.0080 0 21407 WAT 1973 TIP3 H2 HT 0.417000 1.0080 0 21408 WAT 1974 TIP3 OH2 OT -0.834000 15.9994 0 21409 WAT 1974 TIP3 H1 HT 0.417000 1.0080 0 21410 WAT 1974 TIP3 H2 HT 0.417000 1.0080 0 21411 WAT 1975 TIP3 OH2 OT -0.834000 15.9994 0 21412 WAT 1975 TIP3 H1 HT 0.417000 1.0080 0 21413 WAT 1975 TIP3 H2 HT 0.417000 1.0080 0 21414 WAT 1976 TIP3 OH2 OT -0.834000 15.9994 0 21415 WAT 1976 TIP3 H1 HT 0.417000 1.0080 0 21416 WAT 1976 TIP3 H2 HT 0.417000 1.0080 0 21417 WAT 1977 TIP3 OH2 OT -0.834000 15.9994 0 21418 WAT 1977 TIP3 H1 HT 0.417000 1.0080 0 21419 WAT 1977 TIP3 H2 HT 0.417000 1.0080 0 21420 WAT 1978 TIP3 OH2 OT -0.834000 15.9994 0 21421 WAT 1978 TIP3 H1 HT 0.417000 1.0080 0 21422 WAT 1978 TIP3 H2 HT 0.417000 1.0080 0 21423 WAT 1979 TIP3 OH2 OT -0.834000 15.9994 0 21424 WAT 1979 TIP3 H1 HT 0.417000 1.0080 0 21425 WAT 1979 TIP3 H2 HT 0.417000 1.0080 0 21426 WAT 1980 TIP3 OH2 OT -0.834000 15.9994 0 21427 WAT 1980 TIP3 H1 HT 0.417000 1.0080 0 21428 WAT 1980 TIP3 H2 HT 0.417000 1.0080 0 21429 WAT 1981 TIP3 OH2 OT -0.834000 15.9994 0 21430 WAT 1981 TIP3 H1 HT 0.417000 1.0080 0 21431 WAT 1981 TIP3 H2 HT 0.417000 1.0080 0 21432 WAT 1982 TIP3 OH2 OT -0.834000 15.9994 0 21433 WAT 1982 TIP3 H1 HT 0.417000 1.0080 0 21434 WAT 1982 TIP3 H2 HT 0.417000 1.0080 0 21435 WAT 1983 TIP3 OH2 OT -0.834000 15.9994 0 21436 WAT 1983 TIP3 H1 HT 0.417000 1.0080 0 21437 WAT 1983 TIP3 H2 HT 0.417000 1.0080 0 21438 WAT 1984 TIP3 OH2 OT -0.834000 15.9994 0 21439 WAT 1984 TIP3 H1 HT 0.417000 1.0080 0 21440 WAT 1984 TIP3 H2 HT 0.417000 1.0080 0 21441 WAT 1985 TIP3 OH2 OT -0.834000 15.9994 0 21442 WAT 1985 TIP3 H1 HT 0.417000 1.0080 0 21443 WAT 1985 TIP3 H2 HT 0.417000 1.0080 0 21444 WAT 1986 TIP3 OH2 OT -0.834000 15.9994 0 21445 WAT 1986 TIP3 H1 HT 0.417000 1.0080 0 21446 WAT 1986 TIP3 H2 HT 0.417000 1.0080 0 21447 WAT 1987 TIP3 OH2 OT -0.834000 15.9994 0 21448 WAT 1987 TIP3 H1 HT 0.417000 1.0080 0 21449 WAT 1987 TIP3 H2 HT 0.417000 1.0080 0 21450 WAT 1988 TIP3 OH2 OT -0.834000 15.9994 0 21451 WAT 1988 TIP3 H1 HT 0.417000 1.0080 0 21452 WAT 1988 TIP3 H2 HT 0.417000 1.0080 0 21453 WAT 1989 TIP3 OH2 OT -0.834000 15.9994 0 21454 WAT 1989 TIP3 H1 HT 0.417000 1.0080 0 21455 WAT 1989 TIP3 H2 HT 0.417000 1.0080 0 21456 WAT 1990 TIP3 OH2 OT -0.834000 15.9994 0 21457 WAT 1990 TIP3 H1 HT 0.417000 1.0080 0 21458 WAT 1990 TIP3 H2 HT 0.417000 1.0080 0 21459 WAT 1991 TIP3 OH2 OT -0.834000 15.9994 0 21460 WAT 1991 TIP3 H1 HT 0.417000 1.0080 0 21461 WAT 1991 TIP3 H2 HT 0.417000 1.0080 0 21462 WAT 1992 TIP3 OH2 OT -0.834000 15.9994 0 21463 WAT 1992 TIP3 H1 HT 0.417000 1.0080 0 21464 WAT 1992 TIP3 H2 HT 0.417000 1.0080 0 21465 WAT 1993 TIP3 OH2 OT -0.834000 15.9994 0 21466 WAT 1993 TIP3 H1 HT 0.417000 1.0080 0 21467 WAT 1993 TIP3 H2 HT 0.417000 1.0080 0 21468 WAT 1994 TIP3 OH2 OT -0.834000 15.9994 0 21469 WAT 1994 TIP3 H1 HT 0.417000 1.0080 0 21470 WAT 1994 TIP3 H2 HT 0.417000 1.0080 0 21471 WAT 1995 TIP3 OH2 OT -0.834000 15.9994 0 21472 WAT 1995 TIP3 H1 HT 0.417000 1.0080 0 21473 WAT 1995 TIP3 H2 HT 0.417000 1.0080 0 21474 WAT 1996 TIP3 OH2 OT -0.834000 15.9994 0 21475 WAT 1996 TIP3 H1 HT 0.417000 1.0080 0 21476 WAT 1996 TIP3 H2 HT 0.417000 1.0080 0 21477 WAT 1997 TIP3 OH2 OT -0.834000 15.9994 0 21478 WAT 1997 TIP3 H1 HT 0.417000 1.0080 0 21479 WAT 1997 TIP3 H2 HT 0.417000 1.0080 0 21480 WAT 1998 TIP3 OH2 OT -0.834000 15.9994 0 21481 WAT 1998 TIP3 H1 HT 0.417000 1.0080 0 21482 WAT 1998 TIP3 H2 HT 0.417000 1.0080 0 21483 WAT 1999 TIP3 OH2 OT -0.834000 15.9994 0 21484 WAT 1999 TIP3 H1 HT 0.417000 1.0080 0 21485 WAT 1999 TIP3 H2 HT 0.417000 1.0080 0 21486 WAT 2000 TIP3 OH2 OT -0.834000 15.9994 0 21487 WAT 2000 TIP3 H1 HT 0.417000 1.0080 0 21488 WAT 2000 TIP3 H2 HT 0.417000 1.0080 0 21489 WAT 2001 TIP3 OH2 OT -0.834000 15.9994 0 21490 WAT 2001 TIP3 H1 HT 0.417000 1.0080 0 21491 WAT 2001 TIP3 H2 HT 0.417000 1.0080 0 21492 WAT 2002 TIP3 OH2 OT -0.834000 15.9994 0 21493 WAT 2002 TIP3 H1 HT 0.417000 1.0080 0 21494 WAT 2002 TIP3 H2 HT 0.417000 1.0080 0 21495 WAT 2003 TIP3 OH2 OT -0.834000 15.9994 0 21496 WAT 2003 TIP3 H1 HT 0.417000 1.0080 0 21497 WAT 2003 TIP3 H2 HT 0.417000 1.0080 0 21498 WAT 2004 TIP3 OH2 OT -0.834000 15.9994 0 21499 WAT 2004 TIP3 H1 HT 0.417000 1.0080 0 21500 WAT 2004 TIP3 H2 HT 0.417000 1.0080 0 21501 WAT 2005 TIP3 OH2 OT -0.834000 15.9994 0 21502 WAT 2005 TIP3 H1 HT 0.417000 1.0080 0 21503 WAT 2005 TIP3 H2 HT 0.417000 1.0080 0 21504 WAT 2006 TIP3 OH2 OT -0.834000 15.9994 0 21505 WAT 2006 TIP3 H1 HT 0.417000 1.0080 0 21506 WAT 2006 TIP3 H2 HT 0.417000 1.0080 0 21507 WAT 2007 TIP3 OH2 OT -0.834000 15.9994 0 21508 WAT 2007 TIP3 H1 HT 0.417000 1.0080 0 21509 WAT 2007 TIP3 H2 HT 0.417000 1.0080 0 21510 WAT 2008 TIP3 OH2 OT -0.834000 15.9994 0 21511 WAT 2008 TIP3 H1 HT 0.417000 1.0080 0 21512 WAT 2008 TIP3 H2 HT 0.417000 1.0080 0 21513 WAT 2009 TIP3 OH2 OT -0.834000 15.9994 0 21514 WAT 2009 TIP3 H1 HT 0.417000 1.0080 0 21515 WAT 2009 TIP3 H2 HT 0.417000 1.0080 0 21516 WAT 2010 TIP3 OH2 OT -0.834000 15.9994 0 21517 WAT 2010 TIP3 H1 HT 0.417000 1.0080 0 21518 WAT 2010 TIP3 H2 HT 0.417000 1.0080 0 21519 WAT 2011 TIP3 OH2 OT -0.834000 15.9994 0 21520 WAT 2011 TIP3 H1 HT 0.417000 1.0080 0 21521 WAT 2011 TIP3 H2 HT 0.417000 1.0080 0 21522 WAT 2012 TIP3 OH2 OT -0.834000 15.9994 0 21523 WAT 2012 TIP3 H1 HT 0.417000 1.0080 0 21524 WAT 2012 TIP3 H2 HT 0.417000 1.0080 0 21525 WAT 2013 TIP3 OH2 OT -0.834000 15.9994 0 21526 WAT 2013 TIP3 H1 HT 0.417000 1.0080 0 21527 WAT 2013 TIP3 H2 HT 0.417000 1.0080 0 21528 WAT 2014 TIP3 OH2 OT -0.834000 15.9994 0 21529 WAT 2014 TIP3 H1 HT 0.417000 1.0080 0 21530 WAT 2014 TIP3 H2 HT 0.417000 1.0080 0 21531 WAT 2015 TIP3 OH2 OT -0.834000 15.9994 0 21532 WAT 2015 TIP3 H1 HT 0.417000 1.0080 0 21533 WAT 2015 TIP3 H2 HT 0.417000 1.0080 0 21534 WAT 2016 TIP3 OH2 OT -0.834000 15.9994 0 21535 WAT 2016 TIP3 H1 HT 0.417000 1.0080 0 21536 WAT 2016 TIP3 H2 HT 0.417000 1.0080 0 21537 WAT 2017 TIP3 OH2 OT -0.834000 15.9994 0 21538 WAT 2017 TIP3 H1 HT 0.417000 1.0080 0 21539 WAT 2017 TIP3 H2 HT 0.417000 1.0080 0 21540 WAT 2018 TIP3 OH2 OT -0.834000 15.9994 0 21541 WAT 2018 TIP3 H1 HT 0.417000 1.0080 0 21542 WAT 2018 TIP3 H2 HT 0.417000 1.0080 0 21543 WAT 2019 TIP3 OH2 OT -0.834000 15.9994 0 21544 WAT 2019 TIP3 H1 HT 0.417000 1.0080 0 21545 WAT 2019 TIP3 H2 HT 0.417000 1.0080 0 21546 WAT 2020 TIP3 OH2 OT -0.834000 15.9994 0 21547 WAT 2020 TIP3 H1 HT 0.417000 1.0080 0 21548 WAT 2020 TIP3 H2 HT 0.417000 1.0080 0 21549 WAT 2021 TIP3 OH2 OT -0.834000 15.9994 0 21550 WAT 2021 TIP3 H1 HT 0.417000 1.0080 0 21551 WAT 2021 TIP3 H2 HT 0.417000 1.0080 0 21552 WAT 2022 TIP3 OH2 OT -0.834000 15.9994 0 21553 WAT 2022 TIP3 H1 HT 0.417000 1.0080 0 21554 WAT 2022 TIP3 H2 HT 0.417000 1.0080 0 21555 WAT 2023 TIP3 OH2 OT -0.834000 15.9994 0 21556 WAT 2023 TIP3 H1 HT 0.417000 1.0080 0 21557 WAT 2023 TIP3 H2 HT 0.417000 1.0080 0 21558 WAT 2024 TIP3 OH2 OT -0.834000 15.9994 0 21559 WAT 2024 TIP3 H1 HT 0.417000 1.0080 0 21560 WAT 2024 TIP3 H2 HT 0.417000 1.0080 0 21561 WAT 2025 TIP3 OH2 OT -0.834000 15.9994 0 21562 WAT 2025 TIP3 H1 HT 0.417000 1.0080 0 21563 WAT 2025 TIP3 H2 HT 0.417000 1.0080 0 21564 WAT 2026 TIP3 OH2 OT -0.834000 15.9994 0 21565 WAT 2026 TIP3 H1 HT 0.417000 1.0080 0 21566 WAT 2026 TIP3 H2 HT 0.417000 1.0080 0 21567 WAT 2027 TIP3 OH2 OT -0.834000 15.9994 0 21568 WAT 2027 TIP3 H1 HT 0.417000 1.0080 0 21569 WAT 2027 TIP3 H2 HT 0.417000 1.0080 0 21570 WAT 2028 TIP3 OH2 OT -0.834000 15.9994 0 21571 WAT 2028 TIP3 H1 HT 0.417000 1.0080 0 21572 WAT 2028 TIP3 H2 HT 0.417000 1.0080 0 21573 WAT 2029 TIP3 OH2 OT -0.834000 15.9994 0 21574 WAT 2029 TIP3 H1 HT 0.417000 1.0080 0 21575 WAT 2029 TIP3 H2 HT 0.417000 1.0080 0 21576 WAT 2030 TIP3 OH2 OT -0.834000 15.9994 0 21577 WAT 2030 TIP3 H1 HT 0.417000 1.0080 0 21578 WAT 2030 TIP3 H2 HT 0.417000 1.0080 0 21579 WAT 2031 TIP3 OH2 OT -0.834000 15.9994 0 21580 WAT 2031 TIP3 H1 HT 0.417000 1.0080 0 21581 WAT 2031 TIP3 H2 HT 0.417000 1.0080 0 21582 WAT 2032 TIP3 OH2 OT -0.834000 15.9994 0 21583 WAT 2032 TIP3 H1 HT 0.417000 1.0080 0 21584 WAT 2032 TIP3 H2 HT 0.417000 1.0080 0 21585 WAT 2033 TIP3 OH2 OT -0.834000 15.9994 0 21586 WAT 2033 TIP3 H1 HT 0.417000 1.0080 0 21587 WAT 2033 TIP3 H2 HT 0.417000 1.0080 0 21588 WAT 2034 TIP3 OH2 OT -0.834000 15.9994 0 21589 WAT 2034 TIP3 H1 HT 0.417000 1.0080 0 21590 WAT 2034 TIP3 H2 HT 0.417000 1.0080 0 21591 WAT 2035 TIP3 OH2 OT -0.834000 15.9994 0 21592 WAT 2035 TIP3 H1 HT 0.417000 1.0080 0 21593 WAT 2035 TIP3 H2 HT 0.417000 1.0080 0 21594 WAT 2036 TIP3 OH2 OT -0.834000 15.9994 0 21595 WAT 2036 TIP3 H1 HT 0.417000 1.0080 0 21596 WAT 2036 TIP3 H2 HT 0.417000 1.0080 0 21597 WAT 2037 TIP3 OH2 OT -0.834000 15.9994 0 21598 WAT 2037 TIP3 H1 HT 0.417000 1.0080 0 21599 WAT 2037 TIP3 H2 HT 0.417000 1.0080 0 21600 WAT 2038 TIP3 OH2 OT -0.834000 15.9994 0 21601 WAT 2038 TIP3 H1 HT 0.417000 1.0080 0 21602 WAT 2038 TIP3 H2 HT 0.417000 1.0080 0 21603 WAT 2039 TIP3 OH2 OT -0.834000 15.9994 0 21604 WAT 2039 TIP3 H1 HT 0.417000 1.0080 0 21605 WAT 2039 TIP3 H2 HT 0.417000 1.0080 0 21606 WAT 2040 TIP3 OH2 OT -0.834000 15.9994 0 21607 WAT 2040 TIP3 H1 HT 0.417000 1.0080 0 21608 WAT 2040 TIP3 H2 HT 0.417000 1.0080 0 21609 WAT 2041 TIP3 OH2 OT -0.834000 15.9994 0 21610 WAT 2041 TIP3 H1 HT 0.417000 1.0080 0 21611 WAT 2041 TIP3 H2 HT 0.417000 1.0080 0 21612 WAT 2042 TIP3 OH2 OT -0.834000 15.9994 0 21613 WAT 2042 TIP3 H1 HT 0.417000 1.0080 0 21614 WAT 2042 TIP3 H2 HT 0.417000 1.0080 0 21615 WAT 2043 TIP3 OH2 OT -0.834000 15.9994 0 21616 WAT 2043 TIP3 H1 HT 0.417000 1.0080 0 21617 WAT 2043 TIP3 H2 HT 0.417000 1.0080 0 21618 WAT 2044 TIP3 OH2 OT -0.834000 15.9994 0 21619 WAT 2044 TIP3 H1 HT 0.417000 1.0080 0 21620 WAT 2044 TIP3 H2 HT 0.417000 1.0080 0 21621 WAT 2045 TIP3 OH2 OT -0.834000 15.9994 0 21622 WAT 2045 TIP3 H1 HT 0.417000 1.0080 0 21623 WAT 2045 TIP3 H2 HT 0.417000 1.0080 0 21624 WAT 2046 TIP3 OH2 OT -0.834000 15.9994 0 21625 WAT 2046 TIP3 H1 HT 0.417000 1.0080 0 21626 WAT 2046 TIP3 H2 HT 0.417000 1.0080 0 21627 WAT 2047 TIP3 OH2 OT -0.834000 15.9994 0 21628 WAT 2047 TIP3 H1 HT 0.417000 1.0080 0 21629 WAT 2047 TIP3 H2 HT 0.417000 1.0080 0 21630 WAT 2048 TIP3 OH2 OT -0.834000 15.9994 0 21631 WAT 2048 TIP3 H1 HT 0.417000 1.0080 0 21632 WAT 2048 TIP3 H2 HT 0.417000 1.0080 0 21633 WAT 2049 TIP3 OH2 OT -0.834000 15.9994 0 21634 WAT 2049 TIP3 H1 HT 0.417000 1.0080 0 21635 WAT 2049 TIP3 H2 HT 0.417000 1.0080 0 21636 WAT 2050 TIP3 OH2 OT -0.834000 15.9994 0 21637 WAT 2050 TIP3 H1 HT 0.417000 1.0080 0 21638 WAT 2050 TIP3 H2 HT 0.417000 1.0080 0 21639 WAT 2051 TIP3 OH2 OT -0.834000 15.9994 0 21640 WAT 2051 TIP3 H1 HT 0.417000 1.0080 0 21641 WAT 2051 TIP3 H2 HT 0.417000 1.0080 0 21642 WAT 2052 TIP3 OH2 OT -0.834000 15.9994 0 21643 WAT 2052 TIP3 H1 HT 0.417000 1.0080 0 21644 WAT 2052 TIP3 H2 HT 0.417000 1.0080 0 21645 WAT 2053 TIP3 OH2 OT -0.834000 15.9994 0 21646 WAT 2053 TIP3 H1 HT 0.417000 1.0080 0 21647 WAT 2053 TIP3 H2 HT 0.417000 1.0080 0 21648 WAT 2054 TIP3 OH2 OT -0.834000 15.9994 0 21649 WAT 2054 TIP3 H1 HT 0.417000 1.0080 0 21650 WAT 2054 TIP3 H2 HT 0.417000 1.0080 0 21651 WAT 2055 TIP3 OH2 OT -0.834000 15.9994 0 21652 WAT 2055 TIP3 H1 HT 0.417000 1.0080 0 21653 WAT 2055 TIP3 H2 HT 0.417000 1.0080 0 21654 WAT 2056 TIP3 OH2 OT -0.834000 15.9994 0 21655 WAT 2056 TIP3 H1 HT 0.417000 1.0080 0 21656 WAT 2056 TIP3 H2 HT 0.417000 1.0080 0 21657 WAT 2057 TIP3 OH2 OT -0.834000 15.9994 0 21658 WAT 2057 TIP3 H1 HT 0.417000 1.0080 0 21659 WAT 2057 TIP3 H2 HT 0.417000 1.0080 0 21660 WAT 2058 TIP3 OH2 OT -0.834000 15.9994 0 21661 WAT 2058 TIP3 H1 HT 0.417000 1.0080 0 21662 WAT 2058 TIP3 H2 HT 0.417000 1.0080 0 21663 WAT 2059 TIP3 OH2 OT -0.834000 15.9994 0 21664 WAT 2059 TIP3 H1 HT 0.417000 1.0080 0 21665 WAT 2059 TIP3 H2 HT 0.417000 1.0080 0 21666 WAT 2060 TIP3 OH2 OT -0.834000 15.9994 0 21667 WAT 2060 TIP3 H1 HT 0.417000 1.0080 0 21668 WAT 2060 TIP3 H2 HT 0.417000 1.0080 0 21669 WAT 2061 TIP3 OH2 OT -0.834000 15.9994 0 21670 WAT 2061 TIP3 H1 HT 0.417000 1.0080 0 21671 WAT 2061 TIP3 H2 HT 0.417000 1.0080 0 21672 WAT 2062 TIP3 OH2 OT -0.834000 15.9994 0 21673 WAT 2062 TIP3 H1 HT 0.417000 1.0080 0 21674 WAT 2062 TIP3 H2 HT 0.417000 1.0080 0 21675 WAT 2063 TIP3 OH2 OT -0.834000 15.9994 0 21676 WAT 2063 TIP3 H1 HT 0.417000 1.0080 0 21677 WAT 2063 TIP3 H2 HT 0.417000 1.0080 0 21678 WAT 2064 TIP3 OH2 OT -0.834000 15.9994 0 21679 WAT 2064 TIP3 H1 HT 0.417000 1.0080 0 21680 WAT 2064 TIP3 H2 HT 0.417000 1.0080 0 21681 WAT 2065 TIP3 OH2 OT -0.834000 15.9994 0 21682 WAT 2065 TIP3 H1 HT 0.417000 1.0080 0 21683 WAT 2065 TIP3 H2 HT 0.417000 1.0080 0 21684 WAT 2066 TIP3 OH2 OT -0.834000 15.9994 0 21685 WAT 2066 TIP3 H1 HT 0.417000 1.0080 0 21686 WAT 2066 TIP3 H2 HT 0.417000 1.0080 0 21687 WAT 2067 TIP3 OH2 OT -0.834000 15.9994 0 21688 WAT 2067 TIP3 H1 HT 0.417000 1.0080 0 21689 WAT 2067 TIP3 H2 HT 0.417000 1.0080 0 21690 WAT 2068 TIP3 OH2 OT -0.834000 15.9994 0 21691 WAT 2068 TIP3 H1 HT 0.417000 1.0080 0 21692 WAT 2068 TIP3 H2 HT 0.417000 1.0080 0 21693 WAT 2069 TIP3 OH2 OT -0.834000 15.9994 0 21694 WAT 2069 TIP3 H1 HT 0.417000 1.0080 0 21695 WAT 2069 TIP3 H2 HT 0.417000 1.0080 0 21696 WAT 2070 TIP3 OH2 OT -0.834000 15.9994 0 21697 WAT 2070 TIP3 H1 HT 0.417000 1.0080 0 21698 WAT 2070 TIP3 H2 HT 0.417000 1.0080 0 21699 WAT 2071 TIP3 OH2 OT -0.834000 15.9994 0 21700 WAT 2071 TIP3 H1 HT 0.417000 1.0080 0 21701 WAT 2071 TIP3 H2 HT 0.417000 1.0080 0 21702 WAT 2072 TIP3 OH2 OT -0.834000 15.9994 0 21703 WAT 2072 TIP3 H1 HT 0.417000 1.0080 0 21704 WAT 2072 TIP3 H2 HT 0.417000 1.0080 0 21705 WAT 2073 TIP3 OH2 OT -0.834000 15.9994 0 21706 WAT 2073 TIP3 H1 HT 0.417000 1.0080 0 21707 WAT 2073 TIP3 H2 HT 0.417000 1.0080 0 21708 WAT 2074 TIP3 OH2 OT -0.834000 15.9994 0 21709 WAT 2074 TIP3 H1 HT 0.417000 1.0080 0 21710 WAT 2074 TIP3 H2 HT 0.417000 1.0080 0 21711 WAT 2075 TIP3 OH2 OT -0.834000 15.9994 0 21712 WAT 2075 TIP3 H1 HT 0.417000 1.0080 0 21713 WAT 2075 TIP3 H2 HT 0.417000 1.0080 0 21714 WAT 2076 TIP3 OH2 OT -0.834000 15.9994 0 21715 WAT 2076 TIP3 H1 HT 0.417000 1.0080 0 21716 WAT 2076 TIP3 H2 HT 0.417000 1.0080 0 21717 WAT 2077 TIP3 OH2 OT -0.834000 15.9994 0 21718 WAT 2077 TIP3 H1 HT 0.417000 1.0080 0 21719 WAT 2077 TIP3 H2 HT 0.417000 1.0080 0 21720 WAT 2078 TIP3 OH2 OT -0.834000 15.9994 0 21721 WAT 2078 TIP3 H1 HT 0.417000 1.0080 0 21722 WAT 2078 TIP3 H2 HT 0.417000 1.0080 0 21723 WAT 2079 TIP3 OH2 OT -0.834000 15.9994 0 21724 WAT 2079 TIP3 H1 HT 0.417000 1.0080 0 21725 WAT 2079 TIP3 H2 HT 0.417000 1.0080 0 21726 WAT 2080 TIP3 OH2 OT -0.834000 15.9994 0 21727 WAT 2080 TIP3 H1 HT 0.417000 1.0080 0 21728 WAT 2080 TIP3 H2 HT 0.417000 1.0080 0 21729 WAT 2081 TIP3 OH2 OT -0.834000 15.9994 0 21730 WAT 2081 TIP3 H1 HT 0.417000 1.0080 0 21731 WAT 2081 TIP3 H2 HT 0.417000 1.0080 0 21732 WAT 2082 TIP3 OH2 OT -0.834000 15.9994 0 21733 WAT 2082 TIP3 H1 HT 0.417000 1.0080 0 21734 WAT 2082 TIP3 H2 HT 0.417000 1.0080 0 21735 WAT 2083 TIP3 OH2 OT -0.834000 15.9994 0 21736 WAT 2083 TIP3 H1 HT 0.417000 1.0080 0 21737 WAT 2083 TIP3 H2 HT 0.417000 1.0080 0 21738 WAT 2084 TIP3 OH2 OT -0.834000 15.9994 0 21739 WAT 2084 TIP3 H1 HT 0.417000 1.0080 0 21740 WAT 2084 TIP3 H2 HT 0.417000 1.0080 0 21741 WAT 2085 TIP3 OH2 OT -0.834000 15.9994 0 21742 WAT 2085 TIP3 H1 HT 0.417000 1.0080 0 21743 WAT 2085 TIP3 H2 HT 0.417000 1.0080 0 21744 WAT 2086 TIP3 OH2 OT -0.834000 15.9994 0 21745 WAT 2086 TIP3 H1 HT 0.417000 1.0080 0 21746 WAT 2086 TIP3 H2 HT 0.417000 1.0080 0 21747 WAT 2087 TIP3 OH2 OT -0.834000 15.9994 0 21748 WAT 2087 TIP3 H1 HT 0.417000 1.0080 0 21749 WAT 2087 TIP3 H2 HT 0.417000 1.0080 0 21750 WAT 2088 TIP3 OH2 OT -0.834000 15.9994 0 21751 WAT 2088 TIP3 H1 HT 0.417000 1.0080 0 21752 WAT 2088 TIP3 H2 HT 0.417000 1.0080 0 21753 WAT 2089 TIP3 OH2 OT -0.834000 15.9994 0 21754 WAT 2089 TIP3 H1 HT 0.417000 1.0080 0 21755 WAT 2089 TIP3 H2 HT 0.417000 1.0080 0 21756 WAT 2090 TIP3 OH2 OT -0.834000 15.9994 0 21757 WAT 2090 TIP3 H1 HT 0.417000 1.0080 0 21758 WAT 2090 TIP3 H2 HT 0.417000 1.0080 0 21759 WAT 2091 TIP3 OH2 OT -0.834000 15.9994 0 21760 WAT 2091 TIP3 H1 HT 0.417000 1.0080 0 21761 WAT 2091 TIP3 H2 HT 0.417000 1.0080 0 21762 WAT 2092 TIP3 OH2 OT -0.834000 15.9994 0 21763 WAT 2092 TIP3 H1 HT 0.417000 1.0080 0 21764 WAT 2092 TIP3 H2 HT 0.417000 1.0080 0 21765 WAT 2093 TIP3 OH2 OT -0.834000 15.9994 0 21766 WAT 2093 TIP3 H1 HT 0.417000 1.0080 0 21767 WAT 2093 TIP3 H2 HT 0.417000 1.0080 0 21768 WAT 2094 TIP3 OH2 OT -0.834000 15.9994 0 21769 WAT 2094 TIP3 H1 HT 0.417000 1.0080 0 21770 WAT 2094 TIP3 H2 HT 0.417000 1.0080 0 21771 WAT 2095 TIP3 OH2 OT -0.834000 15.9994 0 21772 WAT 2095 TIP3 H1 HT 0.417000 1.0080 0 21773 WAT 2095 TIP3 H2 HT 0.417000 1.0080 0 21774 WAT 2096 TIP3 OH2 OT -0.834000 15.9994 0 21775 WAT 2096 TIP3 H1 HT 0.417000 1.0080 0 21776 WAT 2096 TIP3 H2 HT 0.417000 1.0080 0 21777 WAT 2097 TIP3 OH2 OT -0.834000 15.9994 0 21778 WAT 2097 TIP3 H1 HT 0.417000 1.0080 0 21779 WAT 2097 TIP3 H2 HT 0.417000 1.0080 0 21780 WAT 2098 TIP3 OH2 OT -0.834000 15.9994 0 21781 WAT 2098 TIP3 H1 HT 0.417000 1.0080 0 21782 WAT 2098 TIP3 H2 HT 0.417000 1.0080 0 21783 WAT 2099 TIP3 OH2 OT -0.834000 15.9994 0 21784 WAT 2099 TIP3 H1 HT 0.417000 1.0080 0 21785 WAT 2099 TIP3 H2 HT 0.417000 1.0080 0 21786 WAT 2100 TIP3 OH2 OT -0.834000 15.9994 0 21787 WAT 2100 TIP3 H1 HT 0.417000 1.0080 0 21788 WAT 2100 TIP3 H2 HT 0.417000 1.0080 0 21789 WAT 2101 TIP3 OH2 OT -0.834000 15.9994 0 21790 WAT 2101 TIP3 H1 HT 0.417000 1.0080 0 21791 WAT 2101 TIP3 H2 HT 0.417000 1.0080 0 21792 WAT 2102 TIP3 OH2 OT -0.834000 15.9994 0 21793 WAT 2102 TIP3 H1 HT 0.417000 1.0080 0 21794 WAT 2102 TIP3 H2 HT 0.417000 1.0080 0 21795 WAT 2103 TIP3 OH2 OT -0.834000 15.9994 0 21796 WAT 2103 TIP3 H1 HT 0.417000 1.0080 0 21797 WAT 2103 TIP3 H2 HT 0.417000 1.0080 0 21798 WAT 2104 TIP3 OH2 OT -0.834000 15.9994 0 21799 WAT 2104 TIP3 H1 HT 0.417000 1.0080 0 21800 WAT 2104 TIP3 H2 HT 0.417000 1.0080 0 21801 WAT 2105 TIP3 OH2 OT -0.834000 15.9994 0 21802 WAT 2105 TIP3 H1 HT 0.417000 1.0080 0 21803 WAT 2105 TIP3 H2 HT 0.417000 1.0080 0 21804 WAT 2106 TIP3 OH2 OT -0.834000 15.9994 0 21805 WAT 2106 TIP3 H1 HT 0.417000 1.0080 0 21806 WAT 2106 TIP3 H2 HT 0.417000 1.0080 0 21807 WAT 2107 TIP3 OH2 OT -0.834000 15.9994 0 21808 WAT 2107 TIP3 H1 HT 0.417000 1.0080 0 21809 WAT 2107 TIP3 H2 HT 0.417000 1.0080 0 21810 WAT 2108 TIP3 OH2 OT -0.834000 15.9994 0 21811 WAT 2108 TIP3 H1 HT 0.417000 1.0080 0 21812 WAT 2108 TIP3 H2 HT 0.417000 1.0080 0 21813 WAT 2109 TIP3 OH2 OT -0.834000 15.9994 0 21814 WAT 2109 TIP3 H1 HT 0.417000 1.0080 0 21815 WAT 2109 TIP3 H2 HT 0.417000 1.0080 0 21816 WAT 2110 TIP3 OH2 OT -0.834000 15.9994 0 21817 WAT 2110 TIP3 H1 HT 0.417000 1.0080 0 21818 WAT 2110 TIP3 H2 HT 0.417000 1.0080 0 21819 WAT 2111 TIP3 OH2 OT -0.834000 15.9994 0 21820 WAT 2111 TIP3 H1 HT 0.417000 1.0080 0 21821 WAT 2111 TIP3 H2 HT 0.417000 1.0080 0 21822 WAT 2112 TIP3 OH2 OT -0.834000 15.9994 0 21823 WAT 2112 TIP3 H1 HT 0.417000 1.0080 0 21824 WAT 2112 TIP3 H2 HT 0.417000 1.0080 0 21825 WAT 2113 TIP3 OH2 OT -0.834000 15.9994 0 21826 WAT 2113 TIP3 H1 HT 0.417000 1.0080 0 21827 WAT 2113 TIP3 H2 HT 0.417000 1.0080 0 21828 WAT 2114 TIP3 OH2 OT -0.834000 15.9994 0 21829 WAT 2114 TIP3 H1 HT 0.417000 1.0080 0 21830 WAT 2114 TIP3 H2 HT 0.417000 1.0080 0 21831 WAT 2115 TIP3 OH2 OT -0.834000 15.9994 0 21832 WAT 2115 TIP3 H1 HT 0.417000 1.0080 0 21833 WAT 2115 TIP3 H2 HT 0.417000 1.0080 0 21834 WAT 2116 TIP3 OH2 OT -0.834000 15.9994 0 21835 WAT 2116 TIP3 H1 HT 0.417000 1.0080 0 21836 WAT 2116 TIP3 H2 HT 0.417000 1.0080 0 21837 WAT 2117 TIP3 OH2 OT -0.834000 15.9994 0 21838 WAT 2117 TIP3 H1 HT 0.417000 1.0080 0 21839 WAT 2117 TIP3 H2 HT 0.417000 1.0080 0 21840 WAT 2118 TIP3 OH2 OT -0.834000 15.9994 0 21841 WAT 2118 TIP3 H1 HT 0.417000 1.0080 0 21842 WAT 2118 TIP3 H2 HT 0.417000 1.0080 0 21843 WAT 2119 TIP3 OH2 OT -0.834000 15.9994 0 21844 WAT 2119 TIP3 H1 HT 0.417000 1.0080 0 21845 WAT 2119 TIP3 H2 HT 0.417000 1.0080 0 21846 WAT 2120 TIP3 OH2 OT -0.834000 15.9994 0 21847 WAT 2120 TIP3 H1 HT 0.417000 1.0080 0 21848 WAT 2120 TIP3 H2 HT 0.417000 1.0080 0 21849 WAT 2121 TIP3 OH2 OT -0.834000 15.9994 0 21850 WAT 2121 TIP3 H1 HT 0.417000 1.0080 0 21851 WAT 2121 TIP3 H2 HT 0.417000 1.0080 0 21852 WAT 2122 TIP3 OH2 OT -0.834000 15.9994 0 21853 WAT 2122 TIP3 H1 HT 0.417000 1.0080 0 21854 WAT 2122 TIP3 H2 HT 0.417000 1.0080 0 21855 WAT 2123 TIP3 OH2 OT -0.834000 15.9994 0 21856 WAT 2123 TIP3 H1 HT 0.417000 1.0080 0 21857 WAT 2123 TIP3 H2 HT 0.417000 1.0080 0 21858 WAT 2124 TIP3 OH2 OT -0.834000 15.9994 0 21859 WAT 2124 TIP3 H1 HT 0.417000 1.0080 0 21860 WAT 2124 TIP3 H2 HT 0.417000 1.0080 0 21861 WAT 2125 TIP3 OH2 OT -0.834000 15.9994 0 21862 WAT 2125 TIP3 H1 HT 0.417000 1.0080 0 21863 WAT 2125 TIP3 H2 HT 0.417000 1.0080 0 21864 WAT 2126 TIP3 OH2 OT -0.834000 15.9994 0 21865 WAT 2126 TIP3 H1 HT 0.417000 1.0080 0 21866 WAT 2126 TIP3 H2 HT 0.417000 1.0080 0 21867 WAT 2127 TIP3 OH2 OT -0.834000 15.9994 0 21868 WAT 2127 TIP3 H1 HT 0.417000 1.0080 0 21869 WAT 2127 TIP3 H2 HT 0.417000 1.0080 0 21870 WAT 2128 TIP3 OH2 OT -0.834000 15.9994 0 21871 WAT 2128 TIP3 H1 HT 0.417000 1.0080 0 21872 WAT 2128 TIP3 H2 HT 0.417000 1.0080 0 21873 WAT 2129 TIP3 OH2 OT -0.834000 15.9994 0 21874 WAT 2129 TIP3 H1 HT 0.417000 1.0080 0 21875 WAT 2129 TIP3 H2 HT 0.417000 1.0080 0 21876 WAT 2130 TIP3 OH2 OT -0.834000 15.9994 0 21877 WAT 2130 TIP3 H1 HT 0.417000 1.0080 0 21878 WAT 2130 TIP3 H2 HT 0.417000 1.0080 0 21879 WAT 2131 TIP3 OH2 OT -0.834000 15.9994 0 21880 WAT 2131 TIP3 H1 HT 0.417000 1.0080 0 21881 WAT 2131 TIP3 H2 HT 0.417000 1.0080 0 21882 WAT 2132 TIP3 OH2 OT -0.834000 15.9994 0 21883 WAT 2132 TIP3 H1 HT 0.417000 1.0080 0 21884 WAT 2132 TIP3 H2 HT 0.417000 1.0080 0 21885 WAT 2133 TIP3 OH2 OT -0.834000 15.9994 0 21886 WAT 2133 TIP3 H1 HT 0.417000 1.0080 0 21887 WAT 2133 TIP3 H2 HT 0.417000 1.0080 0 21888 WAT 2134 TIP3 OH2 OT -0.834000 15.9994 0 21889 WAT 2134 TIP3 H1 HT 0.417000 1.0080 0 21890 WAT 2134 TIP3 H2 HT 0.417000 1.0080 0 21891 WAT 2135 TIP3 OH2 OT -0.834000 15.9994 0 21892 WAT 2135 TIP3 H1 HT 0.417000 1.0080 0 21893 WAT 2135 TIP3 H2 HT 0.417000 1.0080 0 21894 WAT 2136 TIP3 OH2 OT -0.834000 15.9994 0 21895 WAT 2136 TIP3 H1 HT 0.417000 1.0080 0 21896 WAT 2136 TIP3 H2 HT 0.417000 1.0080 0 21897 WAT 2137 TIP3 OH2 OT -0.834000 15.9994 0 21898 WAT 2137 TIP3 H1 HT 0.417000 1.0080 0 21899 WAT 2137 TIP3 H2 HT 0.417000 1.0080 0 21900 WAT 2138 TIP3 OH2 OT -0.834000 15.9994 0 21901 WAT 2138 TIP3 H1 HT 0.417000 1.0080 0 21902 WAT 2138 TIP3 H2 HT 0.417000 1.0080 0 21903 WAT 2139 TIP3 OH2 OT -0.834000 15.9994 0 21904 WAT 2139 TIP3 H1 HT 0.417000 1.0080 0 21905 WAT 2139 TIP3 H2 HT 0.417000 1.0080 0 21906 WAT 2140 TIP3 OH2 OT -0.834000 15.9994 0 21907 WAT 2140 TIP3 H1 HT 0.417000 1.0080 0 21908 WAT 2140 TIP3 H2 HT 0.417000 1.0080 0 21909 WAT 2141 TIP3 OH2 OT -0.834000 15.9994 0 21910 WAT 2141 TIP3 H1 HT 0.417000 1.0080 0 21911 WAT 2141 TIP3 H2 HT 0.417000 1.0080 0 21912 WAT 2142 TIP3 OH2 OT -0.834000 15.9994 0 21913 WAT 2142 TIP3 H1 HT 0.417000 1.0080 0 21914 WAT 2142 TIP3 H2 HT 0.417000 1.0080 0 21915 WAT 2143 TIP3 OH2 OT -0.834000 15.9994 0 21916 WAT 2143 TIP3 H1 HT 0.417000 1.0080 0 21917 WAT 2143 TIP3 H2 HT 0.417000 1.0080 0 21918 WAT 2144 TIP3 OH2 OT -0.834000 15.9994 0 21919 WAT 2144 TIP3 H1 HT 0.417000 1.0080 0 21920 WAT 2144 TIP3 H2 HT 0.417000 1.0080 0 21921 WAT 2145 TIP3 OH2 OT -0.834000 15.9994 0 21922 WAT 2145 TIP3 H1 HT 0.417000 1.0080 0 21923 WAT 2145 TIP3 H2 HT 0.417000 1.0080 0 21924 WAT 2146 TIP3 OH2 OT -0.834000 15.9994 0 21925 WAT 2146 TIP3 H1 HT 0.417000 1.0080 0 21926 WAT 2146 TIP3 H2 HT 0.417000 1.0080 0 21927 WAT 2147 TIP3 OH2 OT -0.834000 15.9994 0 21928 WAT 2147 TIP3 H1 HT 0.417000 1.0080 0 21929 WAT 2147 TIP3 H2 HT 0.417000 1.0080 0 21930 WAT 2148 TIP3 OH2 OT -0.834000 15.9994 0 21931 WAT 2148 TIP3 H1 HT 0.417000 1.0080 0 21932 WAT 2148 TIP3 H2 HT 0.417000 1.0080 0 21933 WAT 2149 TIP3 OH2 OT -0.834000 15.9994 0 21934 WAT 2149 TIP3 H1 HT 0.417000 1.0080 0 21935 WAT 2149 TIP3 H2 HT 0.417000 1.0080 0 21936 WAT 2150 TIP3 OH2 OT -0.834000 15.9994 0 21937 WAT 2150 TIP3 H1 HT 0.417000 1.0080 0 21938 WAT 2150 TIP3 H2 HT 0.417000 1.0080 0 21939 WAT 2151 TIP3 OH2 OT -0.834000 15.9994 0 21940 WAT 2151 TIP3 H1 HT 0.417000 1.0080 0 21941 WAT 2151 TIP3 H2 HT 0.417000 1.0080 0 21942 WAT 2152 TIP3 OH2 OT -0.834000 15.9994 0 21943 WAT 2152 TIP3 H1 HT 0.417000 1.0080 0 21944 WAT 2152 TIP3 H2 HT 0.417000 1.0080 0 21945 WAT 2153 TIP3 OH2 OT -0.834000 15.9994 0 21946 WAT 2153 TIP3 H1 HT 0.417000 1.0080 0 21947 WAT 2153 TIP3 H2 HT 0.417000 1.0080 0 21948 WAT 2154 TIP3 OH2 OT -0.834000 15.9994 0 21949 WAT 2154 TIP3 H1 HT 0.417000 1.0080 0 21950 WAT 2154 TIP3 H2 HT 0.417000 1.0080 0 21951 WAT 2155 TIP3 OH2 OT -0.834000 15.9994 0 21952 WAT 2155 TIP3 H1 HT 0.417000 1.0080 0 21953 WAT 2155 TIP3 H2 HT 0.417000 1.0080 0 21954 WAT 2156 TIP3 OH2 OT -0.834000 15.9994 0 21955 WAT 2156 TIP3 H1 HT 0.417000 1.0080 0 21956 WAT 2156 TIP3 H2 HT 0.417000 1.0080 0 21957 WAT 2157 TIP3 OH2 OT -0.834000 15.9994 0 21958 WAT 2157 TIP3 H1 HT 0.417000 1.0080 0 21959 WAT 2157 TIP3 H2 HT 0.417000 1.0080 0 21960 WAT 2158 TIP3 OH2 OT -0.834000 15.9994 0 21961 WAT 2158 TIP3 H1 HT 0.417000 1.0080 0 21962 WAT 2158 TIP3 H2 HT 0.417000 1.0080 0 21963 WAT 2159 TIP3 OH2 OT -0.834000 15.9994 0 21964 WAT 2159 TIP3 H1 HT 0.417000 1.0080 0 21965 WAT 2159 TIP3 H2 HT 0.417000 1.0080 0 21966 WAT 2160 TIP3 OH2 OT -0.834000 15.9994 0 21967 WAT 2160 TIP3 H1 HT 0.417000 1.0080 0 21968 WAT 2160 TIP3 H2 HT 0.417000 1.0080 0 21969 WAT 2161 TIP3 OH2 OT -0.834000 15.9994 0 21970 WAT 2161 TIP3 H1 HT 0.417000 1.0080 0 21971 WAT 2161 TIP3 H2 HT 0.417000 1.0080 0 21972 WAT 2162 TIP3 OH2 OT -0.834000 15.9994 0 21973 WAT 2162 TIP3 H1 HT 0.417000 1.0080 0 21974 WAT 2162 TIP3 H2 HT 0.417000 1.0080 0 21975 WAT 2163 TIP3 OH2 OT -0.834000 15.9994 0 21976 WAT 2163 TIP3 H1 HT 0.417000 1.0080 0 21977 WAT 2163 TIP3 H2 HT 0.417000 1.0080 0 21978 WAT 2164 TIP3 OH2 OT -0.834000 15.9994 0 21979 WAT 2164 TIP3 H1 HT 0.417000 1.0080 0 21980 WAT 2164 TIP3 H2 HT 0.417000 1.0080 0 21981 WAT 2165 TIP3 OH2 OT -0.834000 15.9994 0 21982 WAT 2165 TIP3 H1 HT 0.417000 1.0080 0 21983 WAT 2165 TIP3 H2 HT 0.417000 1.0080 0 21984 WAT 2166 TIP3 OH2 OT -0.834000 15.9994 0 21985 WAT 2166 TIP3 H1 HT 0.417000 1.0080 0 21986 WAT 2166 TIP3 H2 HT 0.417000 1.0080 0 21987 WAT 2167 TIP3 OH2 OT -0.834000 15.9994 0 21988 WAT 2167 TIP3 H1 HT 0.417000 1.0080 0 21989 WAT 2167 TIP3 H2 HT 0.417000 1.0080 0 21990 WAT 2168 TIP3 OH2 OT -0.834000 15.9994 0 21991 WAT 2168 TIP3 H1 HT 0.417000 1.0080 0 21992 WAT 2168 TIP3 H2 HT 0.417000 1.0080 0 21993 WAT 2169 TIP3 OH2 OT -0.834000 15.9994 0 21994 WAT 2169 TIP3 H1 HT 0.417000 1.0080 0 21995 WAT 2169 TIP3 H2 HT 0.417000 1.0080 0 21996 WAT 2170 TIP3 OH2 OT -0.834000 15.9994 0 21997 WAT 2170 TIP3 H1 HT 0.417000 1.0080 0 21998 WAT 2170 TIP3 H2 HT 0.417000 1.0080 0 21999 WAT 2171 TIP3 OH2 OT -0.834000 15.9994 0 22000 WAT 2171 TIP3 H1 HT 0.417000 1.0080 0 22001 WAT 2171 TIP3 H2 HT 0.417000 1.0080 0 22002 WAT 2172 TIP3 OH2 OT -0.834000 15.9994 0 22003 WAT 2172 TIP3 H1 HT 0.417000 1.0080 0 22004 WAT 2172 TIP3 H2 HT 0.417000 1.0080 0 22005 WAT 2173 TIP3 OH2 OT -0.834000 15.9994 0 22006 WAT 2173 TIP3 H1 HT 0.417000 1.0080 0 22007 WAT 2173 TIP3 H2 HT 0.417000 1.0080 0 22008 WAT 2174 TIP3 OH2 OT -0.834000 15.9994 0 22009 WAT 2174 TIP3 H1 HT 0.417000 1.0080 0 22010 WAT 2174 TIP3 H2 HT 0.417000 1.0080 0 22011 WAT 2175 TIP3 OH2 OT -0.834000 15.9994 0 22012 WAT 2175 TIP3 H1 HT 0.417000 1.0080 0 22013 WAT 2175 TIP3 H2 HT 0.417000 1.0080 0 22014 WAT 2176 TIP3 OH2 OT -0.834000 15.9994 0 22015 WAT 2176 TIP3 H1 HT 0.417000 1.0080 0 22016 WAT 2176 TIP3 H2 HT 0.417000 1.0080 0 22017 WAT 2177 TIP3 OH2 OT -0.834000 15.9994 0 22018 WAT 2177 TIP3 H1 HT 0.417000 1.0080 0 22019 WAT 2177 TIP3 H2 HT 0.417000 1.0080 0 22020 WAT 2178 TIP3 OH2 OT -0.834000 15.9994 0 22021 WAT 2178 TIP3 H1 HT 0.417000 1.0080 0 22022 WAT 2178 TIP3 H2 HT 0.417000 1.0080 0 22023 WAT 2179 TIP3 OH2 OT -0.834000 15.9994 0 22024 WAT 2179 TIP3 H1 HT 0.417000 1.0080 0 22025 WAT 2179 TIP3 H2 HT 0.417000 1.0080 0 22026 WAT 2180 TIP3 OH2 OT -0.834000 15.9994 0 22027 WAT 2180 TIP3 H1 HT 0.417000 1.0080 0 22028 WAT 2180 TIP3 H2 HT 0.417000 1.0080 0 22029 WAT 2181 TIP3 OH2 OT -0.834000 15.9994 0 22030 WAT 2181 TIP3 H1 HT 0.417000 1.0080 0 22031 WAT 2181 TIP3 H2 HT 0.417000 1.0080 0 22032 WAT 2182 TIP3 OH2 OT -0.834000 15.9994 0 22033 WAT 2182 TIP3 H1 HT 0.417000 1.0080 0 22034 WAT 2182 TIP3 H2 HT 0.417000 1.0080 0 22035 WAT 2183 TIP3 OH2 OT -0.834000 15.9994 0 22036 WAT 2183 TIP3 H1 HT 0.417000 1.0080 0 22037 WAT 2183 TIP3 H2 HT 0.417000 1.0080 0 22038 WAT 2184 TIP3 OH2 OT -0.834000 15.9994 0 22039 WAT 2184 TIP3 H1 HT 0.417000 1.0080 0 22040 WAT 2184 TIP3 H2 HT 0.417000 1.0080 0 22041 WAT 2185 TIP3 OH2 OT -0.834000 15.9994 0 22042 WAT 2185 TIP3 H1 HT 0.417000 1.0080 0 22043 WAT 2185 TIP3 H2 HT 0.417000 1.0080 0 22044 WAT 2186 TIP3 OH2 OT -0.834000 15.9994 0 22045 WAT 2186 TIP3 H1 HT 0.417000 1.0080 0 22046 WAT 2186 TIP3 H2 HT 0.417000 1.0080 0 22047 WAT 2187 TIP3 OH2 OT -0.834000 15.9994 0 22048 WAT 2187 TIP3 H1 HT 0.417000 1.0080 0 22049 WAT 2187 TIP3 H2 HT 0.417000 1.0080 0 22050 WAT 2188 TIP3 OH2 OT -0.834000 15.9994 0 22051 WAT 2188 TIP3 H1 HT 0.417000 1.0080 0 22052 WAT 2188 TIP3 H2 HT 0.417000 1.0080 0 22053 WAT 2189 TIP3 OH2 OT -0.834000 15.9994 0 22054 WAT 2189 TIP3 H1 HT 0.417000 1.0080 0 22055 WAT 2189 TIP3 H2 HT 0.417000 1.0080 0 22056 WAT 2190 TIP3 OH2 OT -0.834000 15.9994 0 22057 WAT 2190 TIP3 H1 HT 0.417000 1.0080 0 22058 WAT 2190 TIP3 H2 HT 0.417000 1.0080 0 22059 WAT 2191 TIP3 OH2 OT -0.834000 15.9994 0 22060 WAT 2191 TIP3 H1 HT 0.417000 1.0080 0 22061 WAT 2191 TIP3 H2 HT 0.417000 1.0080 0 22062 WAT 2192 TIP3 OH2 OT -0.834000 15.9994 0 22063 WAT 2192 TIP3 H1 HT 0.417000 1.0080 0 22064 WAT 2192 TIP3 H2 HT 0.417000 1.0080 0 22065 WAT 2193 TIP3 OH2 OT -0.834000 15.9994 0 22066 WAT 2193 TIP3 H1 HT 0.417000 1.0080 0 22067 WAT 2193 TIP3 H2 HT 0.417000 1.0080 0 22068 WAT 2194 TIP3 OH2 OT -0.834000 15.9994 0 22069 WAT 2194 TIP3 H1 HT 0.417000 1.0080 0 22070 WAT 2194 TIP3 H2 HT 0.417000 1.0080 0 22071 WAT 2195 TIP3 OH2 OT -0.834000 15.9994 0 22072 WAT 2195 TIP3 H1 HT 0.417000 1.0080 0 22073 WAT 2195 TIP3 H2 HT 0.417000 1.0080 0 22074 WAT 2196 TIP3 OH2 OT -0.834000 15.9994 0 22075 WAT 2196 TIP3 H1 HT 0.417000 1.0080 0 22076 WAT 2196 TIP3 H2 HT 0.417000 1.0080 0 22077 WAT 2197 TIP3 OH2 OT -0.834000 15.9994 0 22078 WAT 2197 TIP3 H1 HT 0.417000 1.0080 0 22079 WAT 2197 TIP3 H2 HT 0.417000 1.0080 0 22080 WAT 2198 TIP3 OH2 OT -0.834000 15.9994 0 22081 WAT 2198 TIP3 H1 HT 0.417000 1.0080 0 22082 WAT 2198 TIP3 H2 HT 0.417000 1.0080 0 22083 WAT 2199 TIP3 OH2 OT -0.834000 15.9994 0 22084 WAT 2199 TIP3 H1 HT 0.417000 1.0080 0 22085 WAT 2199 TIP3 H2 HT 0.417000 1.0080 0 22086 WAT 2200 TIP3 OH2 OT -0.834000 15.9994 0 22087 WAT 2200 TIP3 H1 HT 0.417000 1.0080 0 22088 WAT 2200 TIP3 H2 HT 0.417000 1.0080 0 22089 WAT 2201 TIP3 OH2 OT -0.834000 15.9994 0 22090 WAT 2201 TIP3 H1 HT 0.417000 1.0080 0 22091 WAT 2201 TIP3 H2 HT 0.417000 1.0080 0 22092 WAT 2202 TIP3 OH2 OT -0.834000 15.9994 0 22093 WAT 2202 TIP3 H1 HT 0.417000 1.0080 0 22094 WAT 2202 TIP3 H2 HT 0.417000 1.0080 0 22095 WAT 2203 TIP3 OH2 OT -0.834000 15.9994 0 22096 WAT 2203 TIP3 H1 HT 0.417000 1.0080 0 22097 WAT 2203 TIP3 H2 HT 0.417000 1.0080 0 22098 WAT 2204 TIP3 OH2 OT -0.834000 15.9994 0 22099 WAT 2204 TIP3 H1 HT 0.417000 1.0080 0 22100 WAT 2204 TIP3 H2 HT 0.417000 1.0080 0 22101 WAT 2205 TIP3 OH2 OT -0.834000 15.9994 0 22102 WAT 2205 TIP3 H1 HT 0.417000 1.0080 0 22103 WAT 2205 TIP3 H2 HT 0.417000 1.0080 0 22104 WAT 2206 TIP3 OH2 OT -0.834000 15.9994 0 22105 WAT 2206 TIP3 H1 HT 0.417000 1.0080 0 22106 WAT 2206 TIP3 H2 HT 0.417000 1.0080 0 22107 WAT 2207 TIP3 OH2 OT -0.834000 15.9994 0 22108 WAT 2207 TIP3 H1 HT 0.417000 1.0080 0 22109 WAT 2207 TIP3 H2 HT 0.417000 1.0080 0 22110 WAT 2208 TIP3 OH2 OT -0.834000 15.9994 0 22111 WAT 2208 TIP3 H1 HT 0.417000 1.0080 0 22112 WAT 2208 TIP3 H2 HT 0.417000 1.0080 0 22113 WAT 2209 TIP3 OH2 OT -0.834000 15.9994 0 22114 WAT 2209 TIP3 H1 HT 0.417000 1.0080 0 22115 WAT 2209 TIP3 H2 HT 0.417000 1.0080 0 22116 WAT 2210 TIP3 OH2 OT -0.834000 15.9994 0 22117 WAT 2210 TIP3 H1 HT 0.417000 1.0080 0 22118 WAT 2210 TIP3 H2 HT 0.417000 1.0080 0 22119 WAT 2211 TIP3 OH2 OT -0.834000 15.9994 0 22120 WAT 2211 TIP3 H1 HT 0.417000 1.0080 0 22121 WAT 2211 TIP3 H2 HT 0.417000 1.0080 0 22122 WAT 2212 TIP3 OH2 OT -0.834000 15.9994 0 22123 WAT 2212 TIP3 H1 HT 0.417000 1.0080 0 22124 WAT 2212 TIP3 H2 HT 0.417000 1.0080 0 22125 WAT 2213 TIP3 OH2 OT -0.834000 15.9994 0 22126 WAT 2213 TIP3 H1 HT 0.417000 1.0080 0 22127 WAT 2213 TIP3 H2 HT 0.417000 1.0080 0 22128 WAT 2214 TIP3 OH2 OT -0.834000 15.9994 0 22129 WAT 2214 TIP3 H1 HT 0.417000 1.0080 0 22130 WAT 2214 TIP3 H2 HT 0.417000 1.0080 0 22131 WAT 2215 TIP3 OH2 OT -0.834000 15.9994 0 22132 WAT 2215 TIP3 H1 HT 0.417000 1.0080 0 22133 WAT 2215 TIP3 H2 HT 0.417000 1.0080 0 22134 WAT 2216 TIP3 OH2 OT -0.834000 15.9994 0 22135 WAT 2216 TIP3 H1 HT 0.417000 1.0080 0 22136 WAT 2216 TIP3 H2 HT 0.417000 1.0080 0 22137 WAT 2217 TIP3 OH2 OT -0.834000 15.9994 0 22138 WAT 2217 TIP3 H1 HT 0.417000 1.0080 0 22139 WAT 2217 TIP3 H2 HT 0.417000 1.0080 0 22140 WAT 2218 TIP3 OH2 OT -0.834000 15.9994 0 22141 WAT 2218 TIP3 H1 HT 0.417000 1.0080 0 22142 WAT 2218 TIP3 H2 HT 0.417000 1.0080 0 22143 WAT 2219 TIP3 OH2 OT -0.834000 15.9994 0 22144 WAT 2219 TIP3 H1 HT 0.417000 1.0080 0 22145 WAT 2219 TIP3 H2 HT 0.417000 1.0080 0 22146 WAT 2220 TIP3 OH2 OT -0.834000 15.9994 0 22147 WAT 2220 TIP3 H1 HT 0.417000 1.0080 0 22148 WAT 2220 TIP3 H2 HT 0.417000 1.0080 0 22149 WAT 2221 TIP3 OH2 OT -0.834000 15.9994 0 22150 WAT 2221 TIP3 H1 HT 0.417000 1.0080 0 22151 WAT 2221 TIP3 H2 HT 0.417000 1.0080 0 22152 WAT 2222 TIP3 OH2 OT -0.834000 15.9994 0 22153 WAT 2222 TIP3 H1 HT 0.417000 1.0080 0 22154 WAT 2222 TIP3 H2 HT 0.417000 1.0080 0 22155 WAT 2223 TIP3 OH2 OT -0.834000 15.9994 0 22156 WAT 2223 TIP3 H1 HT 0.417000 1.0080 0 22157 WAT 2223 TIP3 H2 HT 0.417000 1.0080 0 22158 WAT 2224 TIP3 OH2 OT -0.834000 15.9994 0 22159 WAT 2224 TIP3 H1 HT 0.417000 1.0080 0 22160 WAT 2224 TIP3 H2 HT 0.417000 1.0080 0 22161 WAT 2225 TIP3 OH2 OT -0.834000 15.9994 0 22162 WAT 2225 TIP3 H1 HT 0.417000 1.0080 0 22163 WAT 2225 TIP3 H2 HT 0.417000 1.0080 0 22164 WAT 2226 TIP3 OH2 OT -0.834000 15.9994 0 22165 WAT 2226 TIP3 H1 HT 0.417000 1.0080 0 22166 WAT 2226 TIP3 H2 HT 0.417000 1.0080 0 22167 WAT 2227 TIP3 OH2 OT -0.834000 15.9994 0 22168 WAT 2227 TIP3 H1 HT 0.417000 1.0080 0 22169 WAT 2227 TIP3 H2 HT 0.417000 1.0080 0 22170 WAT 2228 TIP3 OH2 OT -0.834000 15.9994 0 22171 WAT 2228 TIP3 H1 HT 0.417000 1.0080 0 22172 WAT 2228 TIP3 H2 HT 0.417000 1.0080 0 22173 WAT 2229 TIP3 OH2 OT -0.834000 15.9994 0 22174 WAT 2229 TIP3 H1 HT 0.417000 1.0080 0 22175 WAT 2229 TIP3 H2 HT 0.417000 1.0080 0 22176 WAT 2230 TIP3 OH2 OT -0.834000 15.9994 0 22177 WAT 2230 TIP3 H1 HT 0.417000 1.0080 0 22178 WAT 2230 TIP3 H2 HT 0.417000 1.0080 0 22179 WAT 2231 TIP3 OH2 OT -0.834000 15.9994 0 22180 WAT 2231 TIP3 H1 HT 0.417000 1.0080 0 22181 WAT 2231 TIP3 H2 HT 0.417000 1.0080 0 22182 WAT 2232 TIP3 OH2 OT -0.834000 15.9994 0 22183 WAT 2232 TIP3 H1 HT 0.417000 1.0080 0 22184 WAT 2232 TIP3 H2 HT 0.417000 1.0080 0 22185 WAT 2233 TIP3 OH2 OT -0.834000 15.9994 0 22186 WAT 2233 TIP3 H1 HT 0.417000 1.0080 0 22187 WAT 2233 TIP3 H2 HT 0.417000 1.0080 0 22188 WAT 2234 TIP3 OH2 OT -0.834000 15.9994 0 22189 WAT 2234 TIP3 H1 HT 0.417000 1.0080 0 22190 WAT 2234 TIP3 H2 HT 0.417000 1.0080 0 22191 WAT 2235 TIP3 OH2 OT -0.834000 15.9994 0 22192 WAT 2235 TIP3 H1 HT 0.417000 1.0080 0 22193 WAT 2235 TIP3 H2 HT 0.417000 1.0080 0 22194 WAT 2236 TIP3 OH2 OT -0.834000 15.9994 0 22195 WAT 2236 TIP3 H1 HT 0.417000 1.0080 0 22196 WAT 2236 TIP3 H2 HT 0.417000 1.0080 0 22197 WAT 2237 TIP3 OH2 OT -0.834000 15.9994 0 22198 WAT 2237 TIP3 H1 HT 0.417000 1.0080 0 22199 WAT 2237 TIP3 H2 HT 0.417000 1.0080 0 22200 WAT 2238 TIP3 OH2 OT -0.834000 15.9994 0 22201 WAT 2238 TIP3 H1 HT 0.417000 1.0080 0 22202 WAT 2238 TIP3 H2 HT 0.417000 1.0080 0 22203 WAT 2239 TIP3 OH2 OT -0.834000 15.9994 0 22204 WAT 2239 TIP3 H1 HT 0.417000 1.0080 0 22205 WAT 2239 TIP3 H2 HT 0.417000 1.0080 0 22206 WAT 2240 TIP3 OH2 OT -0.834000 15.9994 0 22207 WAT 2240 TIP3 H1 HT 0.417000 1.0080 0 22208 WAT 2240 TIP3 H2 HT 0.417000 1.0080 0 22209 WAT 2241 TIP3 OH2 OT -0.834000 15.9994 0 22210 WAT 2241 TIP3 H1 HT 0.417000 1.0080 0 22211 WAT 2241 TIP3 H2 HT 0.417000 1.0080 0 22212 WAT 2242 TIP3 OH2 OT -0.834000 15.9994 0 22213 WAT 2242 TIP3 H1 HT 0.417000 1.0080 0 22214 WAT 2242 TIP3 H2 HT 0.417000 1.0080 0 22215 WAT 2243 TIP3 OH2 OT -0.834000 15.9994 0 22216 WAT 2243 TIP3 H1 HT 0.417000 1.0080 0 22217 WAT 2243 TIP3 H2 HT 0.417000 1.0080 0 22218 WAT 2244 TIP3 OH2 OT -0.834000 15.9994 0 22219 WAT 2244 TIP3 H1 HT 0.417000 1.0080 0 22220 WAT 2244 TIP3 H2 HT 0.417000 1.0080 0 22221 WAT 2245 TIP3 OH2 OT -0.834000 15.9994 0 22222 WAT 2245 TIP3 H1 HT 0.417000 1.0080 0 22223 WAT 2245 TIP3 H2 HT 0.417000 1.0080 0 22224 WAT 2246 TIP3 OH2 OT -0.834000 15.9994 0 22225 WAT 2246 TIP3 H1 HT 0.417000 1.0080 0 22226 WAT 2246 TIP3 H2 HT 0.417000 1.0080 0 22227 WAT 2247 TIP3 OH2 OT -0.834000 15.9994 0 22228 WAT 2247 TIP3 H1 HT 0.417000 1.0080 0 22229 WAT 2247 TIP3 H2 HT 0.417000 1.0080 0 22230 WAT 2248 TIP3 OH2 OT -0.834000 15.9994 0 22231 WAT 2248 TIP3 H1 HT 0.417000 1.0080 0 22232 WAT 2248 TIP3 H2 HT 0.417000 1.0080 0 22233 WAT 2249 TIP3 OH2 OT -0.834000 15.9994 0 22234 WAT 2249 TIP3 H1 HT 0.417000 1.0080 0 22235 WAT 2249 TIP3 H2 HT 0.417000 1.0080 0 22236 WAT 2250 TIP3 OH2 OT -0.834000 15.9994 0 22237 WAT 2250 TIP3 H1 HT 0.417000 1.0080 0 22238 WAT 2250 TIP3 H2 HT 0.417000 1.0080 0 22239 WAT 2251 TIP3 OH2 OT -0.834000 15.9994 0 22240 WAT 2251 TIP3 H1 HT 0.417000 1.0080 0 22241 WAT 2251 TIP3 H2 HT 0.417000 1.0080 0 22242 WAT 2252 TIP3 OH2 OT -0.834000 15.9994 0 22243 WAT 2252 TIP3 H1 HT 0.417000 1.0080 0 22244 WAT 2252 TIP3 H2 HT 0.417000 1.0080 0 22245 WAT 2253 TIP3 OH2 OT -0.834000 15.9994 0 22246 WAT 2253 TIP3 H1 HT 0.417000 1.0080 0 22247 WAT 2253 TIP3 H2 HT 0.417000 1.0080 0 22248 WAT 2254 TIP3 OH2 OT -0.834000 15.9994 0 22249 WAT 2254 TIP3 H1 HT 0.417000 1.0080 0 22250 WAT 2254 TIP3 H2 HT 0.417000 1.0080 0 22251 WAT 2255 TIP3 OH2 OT -0.834000 15.9994 0 22252 WAT 2255 TIP3 H1 HT 0.417000 1.0080 0 22253 WAT 2255 TIP3 H2 HT 0.417000 1.0080 0 22254 WAT 2256 TIP3 OH2 OT -0.834000 15.9994 0 22255 WAT 2256 TIP3 H1 HT 0.417000 1.0080 0 22256 WAT 2256 TIP3 H2 HT 0.417000 1.0080 0 22257 WAT 2257 TIP3 OH2 OT -0.834000 15.9994 0 22258 WAT 2257 TIP3 H1 HT 0.417000 1.0080 0 22259 WAT 2257 TIP3 H2 HT 0.417000 1.0080 0 22260 WAT 2258 TIP3 OH2 OT -0.834000 15.9994 0 22261 WAT 2258 TIP3 H1 HT 0.417000 1.0080 0 22262 WAT 2258 TIP3 H2 HT 0.417000 1.0080 0 22263 WAT 2259 TIP3 OH2 OT -0.834000 15.9994 0 22264 WAT 2259 TIP3 H1 HT 0.417000 1.0080 0 22265 WAT 2259 TIP3 H2 HT 0.417000 1.0080 0 22266 WAT 2260 TIP3 OH2 OT -0.834000 15.9994 0 22267 WAT 2260 TIP3 H1 HT 0.417000 1.0080 0 22268 WAT 2260 TIP3 H2 HT 0.417000 1.0080 0 22269 WAT 2261 TIP3 OH2 OT -0.834000 15.9994 0 22270 WAT 2261 TIP3 H1 HT 0.417000 1.0080 0 22271 WAT 2261 TIP3 H2 HT 0.417000 1.0080 0 22272 WAT 2262 TIP3 OH2 OT -0.834000 15.9994 0 22273 WAT 2262 TIP3 H1 HT 0.417000 1.0080 0 22274 WAT 2262 TIP3 H2 HT 0.417000 1.0080 0 22275 WAT 2263 TIP3 OH2 OT -0.834000 15.9994 0 22276 WAT 2263 TIP3 H1 HT 0.417000 1.0080 0 22277 WAT 2263 TIP3 H2 HT 0.417000 1.0080 0 22278 WAT 2264 TIP3 OH2 OT -0.834000 15.9994 0 22279 WAT 2264 TIP3 H1 HT 0.417000 1.0080 0 22280 WAT 2264 TIP3 H2 HT 0.417000 1.0080 0 22281 WAT 2265 TIP3 OH2 OT -0.834000 15.9994 0 22282 WAT 2265 TIP3 H1 HT 0.417000 1.0080 0 22283 WAT 2265 TIP3 H2 HT 0.417000 1.0080 0 22284 WAT 2266 TIP3 OH2 OT -0.834000 15.9994 0 22285 WAT 2266 TIP3 H1 HT 0.417000 1.0080 0 22286 WAT 2266 TIP3 H2 HT 0.417000 1.0080 0 22287 WAT 2267 TIP3 OH2 OT -0.834000 15.9994 0 22288 WAT 2267 TIP3 H1 HT 0.417000 1.0080 0 22289 WAT 2267 TIP3 H2 HT 0.417000 1.0080 0 22290 WAT 2268 TIP3 OH2 OT -0.834000 15.9994 0 22291 WAT 2268 TIP3 H1 HT 0.417000 1.0080 0 22292 WAT 2268 TIP3 H2 HT 0.417000 1.0080 0 22293 WAT 2269 TIP3 OH2 OT -0.834000 15.9994 0 22294 WAT 2269 TIP3 H1 HT 0.417000 1.0080 0 22295 WAT 2269 TIP3 H2 HT 0.417000 1.0080 0 22296 WAT 2270 TIP3 OH2 OT -0.834000 15.9994 0 22297 WAT 2270 TIP3 H1 HT 0.417000 1.0080 0 22298 WAT 2270 TIP3 H2 HT 0.417000 1.0080 0 22299 WAT 2271 TIP3 OH2 OT -0.834000 15.9994 0 22300 WAT 2271 TIP3 H1 HT 0.417000 1.0080 0 22301 WAT 2271 TIP3 H2 HT 0.417000 1.0080 0 22302 WAT 2272 TIP3 OH2 OT -0.834000 15.9994 0 22303 WAT 2272 TIP3 H1 HT 0.417000 1.0080 0 22304 WAT 2272 TIP3 H2 HT 0.417000 1.0080 0 22305 WAT 2273 TIP3 OH2 OT -0.834000 15.9994 0 22306 WAT 2273 TIP3 H1 HT 0.417000 1.0080 0 22307 WAT 2273 TIP3 H2 HT 0.417000 1.0080 0 22308 WAT 2274 TIP3 OH2 OT -0.834000 15.9994 0 22309 WAT 2274 TIP3 H1 HT 0.417000 1.0080 0 22310 WAT 2274 TIP3 H2 HT 0.417000 1.0080 0 22311 WAT 2275 TIP3 OH2 OT -0.834000 15.9994 0 22312 WAT 2275 TIP3 H1 HT 0.417000 1.0080 0 22313 WAT 2275 TIP3 H2 HT 0.417000 1.0080 0 22314 WAT 2276 TIP3 OH2 OT -0.834000 15.9994 0 22315 WAT 2276 TIP3 H1 HT 0.417000 1.0080 0 22316 WAT 2276 TIP3 H2 HT 0.417000 1.0080 0 22317 WAT 2277 TIP3 OH2 OT -0.834000 15.9994 0 22318 WAT 2277 TIP3 H1 HT 0.417000 1.0080 0 22319 WAT 2277 TIP3 H2 HT 0.417000 1.0080 0 22320 WAT 2278 TIP3 OH2 OT -0.834000 15.9994 0 22321 WAT 2278 TIP3 H1 HT 0.417000 1.0080 0 22322 WAT 2278 TIP3 H2 HT 0.417000 1.0080 0 22323 WAT 2279 TIP3 OH2 OT -0.834000 15.9994 0 22324 WAT 2279 TIP3 H1 HT 0.417000 1.0080 0 22325 WAT 2279 TIP3 H2 HT 0.417000 1.0080 0 22326 WAT 2280 TIP3 OH2 OT -0.834000 15.9994 0 22327 WAT 2280 TIP3 H1 HT 0.417000 1.0080 0 22328 WAT 2280 TIP3 H2 HT 0.417000 1.0080 0 22329 WAT 2281 TIP3 OH2 OT -0.834000 15.9994 0 22330 WAT 2281 TIP3 H1 HT 0.417000 1.0080 0 22331 WAT 2281 TIP3 H2 HT 0.417000 1.0080 0 22332 WAT 2282 TIP3 OH2 OT -0.834000 15.9994 0 22333 WAT 2282 TIP3 H1 HT 0.417000 1.0080 0 22334 WAT 2282 TIP3 H2 HT 0.417000 1.0080 0 22335 WAT 2283 TIP3 OH2 OT -0.834000 15.9994 0 22336 WAT 2283 TIP3 H1 HT 0.417000 1.0080 0 22337 WAT 2283 TIP3 H2 HT 0.417000 1.0080 0 22338 WAT 2284 TIP3 OH2 OT -0.834000 15.9994 0 22339 WAT 2284 TIP3 H1 HT 0.417000 1.0080 0 22340 WAT 2284 TIP3 H2 HT 0.417000 1.0080 0 22341 WAT 2285 TIP3 OH2 OT -0.834000 15.9994 0 22342 WAT 2285 TIP3 H1 HT 0.417000 1.0080 0 22343 WAT 2285 TIP3 H2 HT 0.417000 1.0080 0 22344 WAT 2286 TIP3 OH2 OT -0.834000 15.9994 0 22345 WAT 2286 TIP3 H1 HT 0.417000 1.0080 0 22346 WAT 2286 TIP3 H2 HT 0.417000 1.0080 0 22347 WAT 2287 TIP3 OH2 OT -0.834000 15.9994 0 22348 WAT 2287 TIP3 H1 HT 0.417000 1.0080 0 22349 WAT 2287 TIP3 H2 HT 0.417000 1.0080 0 22350 WAT 2288 TIP3 OH2 OT -0.834000 15.9994 0 22351 WAT 2288 TIP3 H1 HT 0.417000 1.0080 0 22352 WAT 2288 TIP3 H2 HT 0.417000 1.0080 0 22353 WAT 2289 TIP3 OH2 OT -0.834000 15.9994 0 22354 WAT 2289 TIP3 H1 HT 0.417000 1.0080 0 22355 WAT 2289 TIP3 H2 HT 0.417000 1.0080 0 22356 WAT 2290 TIP3 OH2 OT -0.834000 15.9994 0 22357 WAT 2290 TIP3 H1 HT 0.417000 1.0080 0 22358 WAT 2290 TIP3 H2 HT 0.417000 1.0080 0 22359 WAT 2291 TIP3 OH2 OT -0.834000 15.9994 0 22360 WAT 2291 TIP3 H1 HT 0.417000 1.0080 0 22361 WAT 2291 TIP3 H2 HT 0.417000 1.0080 0 22362 WAT 2292 TIP3 OH2 OT -0.834000 15.9994 0 22363 WAT 2292 TIP3 H1 HT 0.417000 1.0080 0 22364 WAT 2292 TIP3 H2 HT 0.417000 1.0080 0 22365 WAT 2293 TIP3 OH2 OT -0.834000 15.9994 0 22366 WAT 2293 TIP3 H1 HT 0.417000 1.0080 0 22367 WAT 2293 TIP3 H2 HT 0.417000 1.0080 0 22368 WAT 2294 TIP3 OH2 OT -0.834000 15.9994 0 22369 WAT 2294 TIP3 H1 HT 0.417000 1.0080 0 22370 WAT 2294 TIP3 H2 HT 0.417000 1.0080 0 22371 WAT 2295 TIP3 OH2 OT -0.834000 15.9994 0 22372 WAT 2295 TIP3 H1 HT 0.417000 1.0080 0 22373 WAT 2295 TIP3 H2 HT 0.417000 1.0080 0 22374 WAT 2296 TIP3 OH2 OT -0.834000 15.9994 0 22375 WAT 2296 TIP3 H1 HT 0.417000 1.0080 0 22376 WAT 2296 TIP3 H2 HT 0.417000 1.0080 0 22377 WAT 2297 TIP3 OH2 OT -0.834000 15.9994 0 22378 WAT 2297 TIP3 H1 HT 0.417000 1.0080 0 22379 WAT 2297 TIP3 H2 HT 0.417000 1.0080 0 22380 WAT 2298 TIP3 OH2 OT -0.834000 15.9994 0 22381 WAT 2298 TIP3 H1 HT 0.417000 1.0080 0 22382 WAT 2298 TIP3 H2 HT 0.417000 1.0080 0 22383 WAT 2299 TIP3 OH2 OT -0.834000 15.9994 0 22384 WAT 2299 TIP3 H1 HT 0.417000 1.0080 0 22385 WAT 2299 TIP3 H2 HT 0.417000 1.0080 0 22386 WAT 2300 TIP3 OH2 OT -0.834000 15.9994 0 22387 WAT 2300 TIP3 H1 HT 0.417000 1.0080 0 22388 WAT 2300 TIP3 H2 HT 0.417000 1.0080 0 22389 WAT 2301 TIP3 OH2 OT -0.834000 15.9994 0 22390 WAT 2301 TIP3 H1 HT 0.417000 1.0080 0 22391 WAT 2301 TIP3 H2 HT 0.417000 1.0080 0 22392 WAT 2302 TIP3 OH2 OT -0.834000 15.9994 0 22393 WAT 2302 TIP3 H1 HT 0.417000 1.0080 0 22394 WAT 2302 TIP3 H2 HT 0.417000 1.0080 0 22395 WAT 2303 TIP3 OH2 OT -0.834000 15.9994 0 22396 WAT 2303 TIP3 H1 HT 0.417000 1.0080 0 22397 WAT 2303 TIP3 H2 HT 0.417000 1.0080 0 22398 WAT 2304 TIP3 OH2 OT -0.834000 15.9994 0 22399 WAT 2304 TIP3 H1 HT 0.417000 1.0080 0 22400 WAT 2304 TIP3 H2 HT 0.417000 1.0080 0 22401 WAT 2305 TIP3 OH2 OT -0.834000 15.9994 0 22402 WAT 2305 TIP3 H1 HT 0.417000 1.0080 0 22403 WAT 2305 TIP3 H2 HT 0.417000 1.0080 0 22404 WAT 2306 TIP3 OH2 OT -0.834000 15.9994 0 22405 WAT 2306 TIP3 H1 HT 0.417000 1.0080 0 22406 WAT 2306 TIP3 H2 HT 0.417000 1.0080 0 22407 WAT 2307 TIP3 OH2 OT -0.834000 15.9994 0 22408 WAT 2307 TIP3 H1 HT 0.417000 1.0080 0 22409 WAT 2307 TIP3 H2 HT 0.417000 1.0080 0 22410 WAT 2308 TIP3 OH2 OT -0.834000 15.9994 0 22411 WAT 2308 TIP3 H1 HT 0.417000 1.0080 0 22412 WAT 2308 TIP3 H2 HT 0.417000 1.0080 0 22413 WAT 2309 TIP3 OH2 OT -0.834000 15.9994 0 22414 WAT 2309 TIP3 H1 HT 0.417000 1.0080 0 22415 WAT 2309 TIP3 H2 HT 0.417000 1.0080 0 22416 WAT 2310 TIP3 OH2 OT -0.834000 15.9994 0 22417 WAT 2310 TIP3 H1 HT 0.417000 1.0080 0 22418 WAT 2310 TIP3 H2 HT 0.417000 1.0080 0 22419 WAT 2311 TIP3 OH2 OT -0.834000 15.9994 0 22420 WAT 2311 TIP3 H1 HT 0.417000 1.0080 0 22421 WAT 2311 TIP3 H2 HT 0.417000 1.0080 0 22422 WAT 2312 TIP3 OH2 OT -0.834000 15.9994 0 22423 WAT 2312 TIP3 H1 HT 0.417000 1.0080 0 22424 WAT 2312 TIP3 H2 HT 0.417000 1.0080 0 22425 WAT 2313 TIP3 OH2 OT -0.834000 15.9994 0 22426 WAT 2313 TIP3 H1 HT 0.417000 1.0080 0 22427 WAT 2313 TIP3 H2 HT 0.417000 1.0080 0 22428 WAT 2314 TIP3 OH2 OT -0.834000 15.9994 0 22429 WAT 2314 TIP3 H1 HT 0.417000 1.0080 0 22430 WAT 2314 TIP3 H2 HT 0.417000 1.0080 0 22431 WAT 2315 TIP3 OH2 OT -0.834000 15.9994 0 22432 WAT 2315 TIP3 H1 HT 0.417000 1.0080 0 22433 WAT 2315 TIP3 H2 HT 0.417000 1.0080 0 22434 WAT 2316 TIP3 OH2 OT -0.834000 15.9994 0 22435 WAT 2316 TIP3 H1 HT 0.417000 1.0080 0 22436 WAT 2316 TIP3 H2 HT 0.417000 1.0080 0 22437 WAT 2317 TIP3 OH2 OT -0.834000 15.9994 0 22438 WAT 2317 TIP3 H1 HT 0.417000 1.0080 0 22439 WAT 2317 TIP3 H2 HT 0.417000 1.0080 0 22440 WAT 2318 TIP3 OH2 OT -0.834000 15.9994 0 22441 WAT 2318 TIP3 H1 HT 0.417000 1.0080 0 22442 WAT 2318 TIP3 H2 HT 0.417000 1.0080 0 22443 WAT 2319 TIP3 OH2 OT -0.834000 15.9994 0 22444 WAT 2319 TIP3 H1 HT 0.417000 1.0080 0 22445 WAT 2319 TIP3 H2 HT 0.417000 1.0080 0 22446 WAT 2320 TIP3 OH2 OT -0.834000 15.9994 0 22447 WAT 2320 TIP3 H1 HT 0.417000 1.0080 0 22448 WAT 2320 TIP3 H2 HT 0.417000 1.0080 0 22449 WAT 2321 TIP3 OH2 OT -0.834000 15.9994 0 22450 WAT 2321 TIP3 H1 HT 0.417000 1.0080 0 22451 WAT 2321 TIP3 H2 HT 0.417000 1.0080 0 22452 WAT 2322 TIP3 OH2 OT -0.834000 15.9994 0 22453 WAT 2322 TIP3 H1 HT 0.417000 1.0080 0 22454 WAT 2322 TIP3 H2 HT 0.417000 1.0080 0 22455 WAT 2323 TIP3 OH2 OT -0.834000 15.9994 0 22456 WAT 2323 TIP3 H1 HT 0.417000 1.0080 0 22457 WAT 2323 TIP3 H2 HT 0.417000 1.0080 0 22458 WAT 2324 TIP3 OH2 OT -0.834000 15.9994 0 22459 WAT 2324 TIP3 H1 HT 0.417000 1.0080 0 22460 WAT 2324 TIP3 H2 HT 0.417000 1.0080 0 22461 WAT 2325 TIP3 OH2 OT -0.834000 15.9994 0 22462 WAT 2325 TIP3 H1 HT 0.417000 1.0080 0 22463 WAT 2325 TIP3 H2 HT 0.417000 1.0080 0 22464 WAT 2326 TIP3 OH2 OT -0.834000 15.9994 0 22465 WAT 2326 TIP3 H1 HT 0.417000 1.0080 0 22466 WAT 2326 TIP3 H2 HT 0.417000 1.0080 0 22467 WAT 2327 TIP3 OH2 OT -0.834000 15.9994 0 22468 WAT 2327 TIP3 H1 HT 0.417000 1.0080 0 22469 WAT 2327 TIP3 H2 HT 0.417000 1.0080 0 22470 WAT 2328 TIP3 OH2 OT -0.834000 15.9994 0 22471 WAT 2328 TIP3 H1 HT 0.417000 1.0080 0 22472 WAT 2328 TIP3 H2 HT 0.417000 1.0080 0 22473 WAT 2329 TIP3 OH2 OT -0.834000 15.9994 0 22474 WAT 2329 TIP3 H1 HT 0.417000 1.0080 0 22475 WAT 2329 TIP3 H2 HT 0.417000 1.0080 0 22476 WAT 2330 TIP3 OH2 OT -0.834000 15.9994 0 22477 WAT 2330 TIP3 H1 HT 0.417000 1.0080 0 22478 WAT 2330 TIP3 H2 HT 0.417000 1.0080 0 22479 WAT 2331 TIP3 OH2 OT -0.834000 15.9994 0 22480 WAT 2331 TIP3 H1 HT 0.417000 1.0080 0 22481 WAT 2331 TIP3 H2 HT 0.417000 1.0080 0 22482 WAT 2332 TIP3 OH2 OT -0.834000 15.9994 0 22483 WAT 2332 TIP3 H1 HT 0.417000 1.0080 0 22484 WAT 2332 TIP3 H2 HT 0.417000 1.0080 0 22485 WAT 2333 TIP3 OH2 OT -0.834000 15.9994 0 22486 WAT 2333 TIP3 H1 HT 0.417000 1.0080 0 22487 WAT 2333 TIP3 H2 HT 0.417000 1.0080 0 22488 WAT 2334 TIP3 OH2 OT -0.834000 15.9994 0 22489 WAT 2334 TIP3 H1 HT 0.417000 1.0080 0 22490 WAT 2334 TIP3 H2 HT 0.417000 1.0080 0 22491 WAT 2335 TIP3 OH2 OT -0.834000 15.9994 0 22492 WAT 2335 TIP3 H1 HT 0.417000 1.0080 0 22493 WAT 2335 TIP3 H2 HT 0.417000 1.0080 0 22494 WAT 2336 TIP3 OH2 OT -0.834000 15.9994 0 22495 WAT 2336 TIP3 H1 HT 0.417000 1.0080 0 22496 WAT 2336 TIP3 H2 HT 0.417000 1.0080 0 22497 WAT 2337 TIP3 OH2 OT -0.834000 15.9994 0 22498 WAT 2337 TIP3 H1 HT 0.417000 1.0080 0 22499 WAT 2337 TIP3 H2 HT 0.417000 1.0080 0 22500 WAT 2338 TIP3 OH2 OT -0.834000 15.9994 0 22501 WAT 2338 TIP3 H1 HT 0.417000 1.0080 0 22502 WAT 2338 TIP3 H2 HT 0.417000 1.0080 0 22503 WAT 2339 TIP3 OH2 OT -0.834000 15.9994 0 22504 WAT 2339 TIP3 H1 HT 0.417000 1.0080 0 22505 WAT 2339 TIP3 H2 HT 0.417000 1.0080 0 22506 WAT 2340 TIP3 OH2 OT -0.834000 15.9994 0 22507 WAT 2340 TIP3 H1 HT 0.417000 1.0080 0 22508 WAT 2340 TIP3 H2 HT 0.417000 1.0080 0 22509 WAT 2341 TIP3 OH2 OT -0.834000 15.9994 0 22510 WAT 2341 TIP3 H1 HT 0.417000 1.0080 0 22511 WAT 2341 TIP3 H2 HT 0.417000 1.0080 0 22512 WAT 2342 TIP3 OH2 OT -0.834000 15.9994 0 22513 WAT 2342 TIP3 H1 HT 0.417000 1.0080 0 22514 WAT 2342 TIP3 H2 HT 0.417000 1.0080 0 22515 WAT 2343 TIP3 OH2 OT -0.834000 15.9994 0 22516 WAT 2343 TIP3 H1 HT 0.417000 1.0080 0 22517 WAT 2343 TIP3 H2 HT 0.417000 1.0080 0 22518 WAT 2344 TIP3 OH2 OT -0.834000 15.9994 0 22519 WAT 2344 TIP3 H1 HT 0.417000 1.0080 0 22520 WAT 2344 TIP3 H2 HT 0.417000 1.0080 0 22521 WAT 2345 TIP3 OH2 OT -0.834000 15.9994 0 22522 WAT 2345 TIP3 H1 HT 0.417000 1.0080 0 22523 WAT 2345 TIP3 H2 HT 0.417000 1.0080 0 22524 WAT 2346 TIP3 OH2 OT -0.834000 15.9994 0 22525 WAT 2346 TIP3 H1 HT 0.417000 1.0080 0 22526 WAT 2346 TIP3 H2 HT 0.417000 1.0080 0 22527 WAT 2347 TIP3 OH2 OT -0.834000 15.9994 0 22528 WAT 2347 TIP3 H1 HT 0.417000 1.0080 0 22529 WAT 2347 TIP3 H2 HT 0.417000 1.0080 0 22530 WAT 2348 TIP3 OH2 OT -0.834000 15.9994 0 22531 WAT 2348 TIP3 H1 HT 0.417000 1.0080 0 22532 WAT 2348 TIP3 H2 HT 0.417000 1.0080 0 22533 WAT 2349 TIP3 OH2 OT -0.834000 15.9994 0 22534 WAT 2349 TIP3 H1 HT 0.417000 1.0080 0 22535 WAT 2349 TIP3 H2 HT 0.417000 1.0080 0 22536 WAT 2350 TIP3 OH2 OT -0.834000 15.9994 0 22537 WAT 2350 TIP3 H1 HT 0.417000 1.0080 0 22538 WAT 2350 TIP3 H2 HT 0.417000 1.0080 0 22539 WAT 2351 TIP3 OH2 OT -0.834000 15.9994 0 22540 WAT 2351 TIP3 H1 HT 0.417000 1.0080 0 22541 WAT 2351 TIP3 H2 HT 0.417000 1.0080 0 22542 WAT 2352 TIP3 OH2 OT -0.834000 15.9994 0 22543 WAT 2352 TIP3 H1 HT 0.417000 1.0080 0 22544 WAT 2352 TIP3 H2 HT 0.417000 1.0080 0 22545 WAT 2353 TIP3 OH2 OT -0.834000 15.9994 0 22546 WAT 2353 TIP3 H1 HT 0.417000 1.0080 0 22547 WAT 2353 TIP3 H2 HT 0.417000 1.0080 0 22548 WAT 2354 TIP3 OH2 OT -0.834000 15.9994 0 22549 WAT 2354 TIP3 H1 HT 0.417000 1.0080 0 22550 WAT 2354 TIP3 H2 HT 0.417000 1.0080 0 22551 WAT 2355 TIP3 OH2 OT -0.834000 15.9994 0 22552 WAT 2355 TIP3 H1 HT 0.417000 1.0080 0 22553 WAT 2355 TIP3 H2 HT 0.417000 1.0080 0 22554 WAT 2356 TIP3 OH2 OT -0.834000 15.9994 0 22555 WAT 2356 TIP3 H1 HT 0.417000 1.0080 0 22556 WAT 2356 TIP3 H2 HT 0.417000 1.0080 0 22557 WAT 2357 TIP3 OH2 OT -0.834000 15.9994 0 22558 WAT 2357 TIP3 H1 HT 0.417000 1.0080 0 22559 WAT 2357 TIP3 H2 HT 0.417000 1.0080 0 22560 WAT 2358 TIP3 OH2 OT -0.834000 15.9994 0 22561 WAT 2358 TIP3 H1 HT 0.417000 1.0080 0 22562 WAT 2358 TIP3 H2 HT 0.417000 1.0080 0 22563 WAT 2359 TIP3 OH2 OT -0.834000 15.9994 0 22564 WAT 2359 TIP3 H1 HT 0.417000 1.0080 0 22565 WAT 2359 TIP3 H2 HT 0.417000 1.0080 0 22566 WAT 2360 TIP3 OH2 OT -0.834000 15.9994 0 22567 WAT 2360 TIP3 H1 HT 0.417000 1.0080 0 22568 WAT 2360 TIP3 H2 HT 0.417000 1.0080 0 22569 WAT 2361 TIP3 OH2 OT -0.834000 15.9994 0 22570 WAT 2361 TIP3 H1 HT 0.417000 1.0080 0 22571 WAT 2361 TIP3 H2 HT 0.417000 1.0080 0 22572 WAT 2362 TIP3 OH2 OT -0.834000 15.9994 0 22573 WAT 2362 TIP3 H1 HT 0.417000 1.0080 0 22574 WAT 2362 TIP3 H2 HT 0.417000 1.0080 0 22575 WAT 2363 TIP3 OH2 OT -0.834000 15.9994 0 22576 WAT 2363 TIP3 H1 HT 0.417000 1.0080 0 22577 WAT 2363 TIP3 H2 HT 0.417000 1.0080 0 22578 WAT 2364 TIP3 OH2 OT -0.834000 15.9994 0 22579 WAT 2364 TIP3 H1 HT 0.417000 1.0080 0 22580 WAT 2364 TIP3 H2 HT 0.417000 1.0080 0 22581 WAT 2365 TIP3 OH2 OT -0.834000 15.9994 0 22582 WAT 2365 TIP3 H1 HT 0.417000 1.0080 0 22583 WAT 2365 TIP3 H2 HT 0.417000 1.0080 0 22584 WAT 2366 TIP3 OH2 OT -0.834000 15.9994 0 22585 WAT 2366 TIP3 H1 HT 0.417000 1.0080 0 22586 WAT 2366 TIP3 H2 HT 0.417000 1.0080 0 22587 WAT 2367 TIP3 OH2 OT -0.834000 15.9994 0 22588 WAT 2367 TIP3 H1 HT 0.417000 1.0080 0 22589 WAT 2367 TIP3 H2 HT 0.417000 1.0080 0 22590 WAT 2368 TIP3 OH2 OT -0.834000 15.9994 0 22591 WAT 2368 TIP3 H1 HT 0.417000 1.0080 0 22592 WAT 2368 TIP3 H2 HT 0.417000 1.0080 0 22593 WAT 2369 TIP3 OH2 OT -0.834000 15.9994 0 22594 WAT 2369 TIP3 H1 HT 0.417000 1.0080 0 22595 WAT 2369 TIP3 H2 HT 0.417000 1.0080 0 22596 WAT 2370 TIP3 OH2 OT -0.834000 15.9994 0 22597 WAT 2370 TIP3 H1 HT 0.417000 1.0080 0 22598 WAT 2370 TIP3 H2 HT 0.417000 1.0080 0 22599 WAT 2371 TIP3 OH2 OT -0.834000 15.9994 0 22600 WAT 2371 TIP3 H1 HT 0.417000 1.0080 0 22601 WAT 2371 TIP3 H2 HT 0.417000 1.0080 0 22602 WAT 2372 TIP3 OH2 OT -0.834000 15.9994 0 22603 WAT 2372 TIP3 H1 HT 0.417000 1.0080 0 22604 WAT 2372 TIP3 H2 HT 0.417000 1.0080 0 22605 WAT 2373 TIP3 OH2 OT -0.834000 15.9994 0 22606 WAT 2373 TIP3 H1 HT 0.417000 1.0080 0 22607 WAT 2373 TIP3 H2 HT 0.417000 1.0080 0 22608 WAT 2374 TIP3 OH2 OT -0.834000 15.9994 0 22609 WAT 2374 TIP3 H1 HT 0.417000 1.0080 0 22610 WAT 2374 TIP3 H2 HT 0.417000 1.0080 0 22611 WAT 2375 TIP3 OH2 OT -0.834000 15.9994 0 22612 WAT 2375 TIP3 H1 HT 0.417000 1.0080 0 22613 WAT 2375 TIP3 H2 HT 0.417000 1.0080 0 22614 WAT 2376 TIP3 OH2 OT -0.834000 15.9994 0 22615 WAT 2376 TIP3 H1 HT 0.417000 1.0080 0 22616 WAT 2376 TIP3 H2 HT 0.417000 1.0080 0 22617 WAT 2377 TIP3 OH2 OT -0.834000 15.9994 0 22618 WAT 2377 TIP3 H1 HT 0.417000 1.0080 0 22619 WAT 2377 TIP3 H2 HT 0.417000 1.0080 0 22620 WAT 2378 TIP3 OH2 OT -0.834000 15.9994 0 22621 WAT 2378 TIP3 H1 HT 0.417000 1.0080 0 22622 WAT 2378 TIP3 H2 HT 0.417000 1.0080 0 22623 WAT 2379 TIP3 OH2 OT -0.834000 15.9994 0 22624 WAT 2379 TIP3 H1 HT 0.417000 1.0080 0 22625 WAT 2379 TIP3 H2 HT 0.417000 1.0080 0 22626 WAT 2380 TIP3 OH2 OT -0.834000 15.9994 0 22627 WAT 2380 TIP3 H1 HT 0.417000 1.0080 0 22628 WAT 2380 TIP3 H2 HT 0.417000 1.0080 0 22629 WAT 2381 TIP3 OH2 OT -0.834000 15.9994 0 22630 WAT 2381 TIP3 H1 HT 0.417000 1.0080 0 22631 WAT 2381 TIP3 H2 HT 0.417000 1.0080 0 22632 WAT 2382 TIP3 OH2 OT -0.834000 15.9994 0 22633 WAT 2382 TIP3 H1 HT 0.417000 1.0080 0 22634 WAT 2382 TIP3 H2 HT 0.417000 1.0080 0 22635 WAT 2383 TIP3 OH2 OT -0.834000 15.9994 0 22636 WAT 2383 TIP3 H1 HT 0.417000 1.0080 0 22637 WAT 2383 TIP3 H2 HT 0.417000 1.0080 0 22638 WAT 2384 TIP3 OH2 OT -0.834000 15.9994 0 22639 WAT 2384 TIP3 H1 HT 0.417000 1.0080 0 22640 WAT 2384 TIP3 H2 HT 0.417000 1.0080 0 22641 WAT 2385 TIP3 OH2 OT -0.834000 15.9994 0 22642 WAT 2385 TIP3 H1 HT 0.417000 1.0080 0 22643 WAT 2385 TIP3 H2 HT 0.417000 1.0080 0 22644 WAT 2386 TIP3 OH2 OT -0.834000 15.9994 0 22645 WAT 2386 TIP3 H1 HT 0.417000 1.0080 0 22646 WAT 2386 TIP3 H2 HT 0.417000 1.0080 0 22647 WAT 2387 TIP3 OH2 OT -0.834000 15.9994 0 22648 WAT 2387 TIP3 H1 HT 0.417000 1.0080 0 22649 WAT 2387 TIP3 H2 HT 0.417000 1.0080 0 22650 WAT 2388 TIP3 OH2 OT -0.834000 15.9994 0 22651 WAT 2388 TIP3 H1 HT 0.417000 1.0080 0 22652 WAT 2388 TIP3 H2 HT 0.417000 1.0080 0 22653 WAT 2389 TIP3 OH2 OT -0.834000 15.9994 0 22654 WAT 2389 TIP3 H1 HT 0.417000 1.0080 0 22655 WAT 2389 TIP3 H2 HT 0.417000 1.0080 0 22656 WAT 2390 TIP3 OH2 OT -0.834000 15.9994 0 22657 WAT 2390 TIP3 H1 HT 0.417000 1.0080 0 22658 WAT 2390 TIP3 H2 HT 0.417000 1.0080 0 22659 WAT 2391 TIP3 OH2 OT -0.834000 15.9994 0 22660 WAT 2391 TIP3 H1 HT 0.417000 1.0080 0 22661 WAT 2391 TIP3 H2 HT 0.417000 1.0080 0 22662 WAT 2392 TIP3 OH2 OT -0.834000 15.9994 0 22663 WAT 2392 TIP3 H1 HT 0.417000 1.0080 0 22664 WAT 2392 TIP3 H2 HT 0.417000 1.0080 0 22665 WAT 2393 TIP3 OH2 OT -0.834000 15.9994 0 22666 WAT 2393 TIP3 H1 HT 0.417000 1.0080 0 22667 WAT 2393 TIP3 H2 HT 0.417000 1.0080 0 22668 WAT 2394 TIP3 OH2 OT -0.834000 15.9994 0 22669 WAT 2394 TIP3 H1 HT 0.417000 1.0080 0 22670 WAT 2394 TIP3 H2 HT 0.417000 1.0080 0 22671 WAT 2395 TIP3 OH2 OT -0.834000 15.9994 0 22672 WAT 2395 TIP3 H1 HT 0.417000 1.0080 0 22673 WAT 2395 TIP3 H2 HT 0.417000 1.0080 0 22674 WAT 2396 TIP3 OH2 OT -0.834000 15.9994 0 22675 WAT 2396 TIP3 H1 HT 0.417000 1.0080 0 22676 WAT 2396 TIP3 H2 HT 0.417000 1.0080 0 22677 WAT 2397 TIP3 OH2 OT -0.834000 15.9994 0 22678 WAT 2397 TIP3 H1 HT 0.417000 1.0080 0 22679 WAT 2397 TIP3 H2 HT 0.417000 1.0080 0 22680 WAT 2398 TIP3 OH2 OT -0.834000 15.9994 0 22681 WAT 2398 TIP3 H1 HT 0.417000 1.0080 0 22682 WAT 2398 TIP3 H2 HT 0.417000 1.0080 0 22683 WAT 2399 TIP3 OH2 OT -0.834000 15.9994 0 22684 WAT 2399 TIP3 H1 HT 0.417000 1.0080 0 22685 WAT 2399 TIP3 H2 HT 0.417000 1.0080 0 22686 WAT 2400 TIP3 OH2 OT -0.834000 15.9994 0 22687 WAT 2400 TIP3 H1 HT 0.417000 1.0080 0 22688 WAT 2400 TIP3 H2 HT 0.417000 1.0080 0 22689 WAT 2401 TIP3 OH2 OT -0.834000 15.9994 0 22690 WAT 2401 TIP3 H1 HT 0.417000 1.0080 0 22691 WAT 2401 TIP3 H2 HT 0.417000 1.0080 0 22692 WAT 2402 TIP3 OH2 OT -0.834000 15.9994 0 22693 WAT 2402 TIP3 H1 HT 0.417000 1.0080 0 22694 WAT 2402 TIP3 H2 HT 0.417000 1.0080 0 22695 WAT 2403 TIP3 OH2 OT -0.834000 15.9994 0 22696 WAT 2403 TIP3 H1 HT 0.417000 1.0080 0 22697 WAT 2403 TIP3 H2 HT 0.417000 1.0080 0 22698 WAT 2404 TIP3 OH2 OT -0.834000 15.9994 0 22699 WAT 2404 TIP3 H1 HT 0.417000 1.0080 0 22700 WAT 2404 TIP3 H2 HT 0.417000 1.0080 0 22701 WAT 2405 TIP3 OH2 OT -0.834000 15.9994 0 22702 WAT 2405 TIP3 H1 HT 0.417000 1.0080 0 22703 WAT 2405 TIP3 H2 HT 0.417000 1.0080 0 22704 WAT 2406 TIP3 OH2 OT -0.834000 15.9994 0 22705 WAT 2406 TIP3 H1 HT 0.417000 1.0080 0 22706 WAT 2406 TIP3 H2 HT 0.417000 1.0080 0 22707 WAT 2407 TIP3 OH2 OT -0.834000 15.9994 0 22708 WAT 2407 TIP3 H1 HT 0.417000 1.0080 0 22709 WAT 2407 TIP3 H2 HT 0.417000 1.0080 0 22710 WAT 2408 TIP3 OH2 OT -0.834000 15.9994 0 22711 WAT 2408 TIP3 H1 HT 0.417000 1.0080 0 22712 WAT 2408 TIP3 H2 HT 0.417000 1.0080 0 22713 WAT 2409 TIP3 OH2 OT -0.834000 15.9994 0 22714 WAT 2409 TIP3 H1 HT 0.417000 1.0080 0 22715 WAT 2409 TIP3 H2 HT 0.417000 1.0080 0 22716 WAT 2410 TIP3 OH2 OT -0.834000 15.9994 0 22717 WAT 2410 TIP3 H1 HT 0.417000 1.0080 0 22718 WAT 2410 TIP3 H2 HT 0.417000 1.0080 0 22719 WAT 2411 TIP3 OH2 OT -0.834000 15.9994 0 22720 WAT 2411 TIP3 H1 HT 0.417000 1.0080 0 22721 WAT 2411 TIP3 H2 HT 0.417000 1.0080 0 22722 WAT 2412 TIP3 OH2 OT -0.834000 15.9994 0 22723 WAT 2412 TIP3 H1 HT 0.417000 1.0080 0 22724 WAT 2412 TIP3 H2 HT 0.417000 1.0080 0 22725 WAT 2413 TIP3 OH2 OT -0.834000 15.9994 0 22726 WAT 2413 TIP3 H1 HT 0.417000 1.0080 0 22727 WAT 2413 TIP3 H2 HT 0.417000 1.0080 0 22728 WAT 2414 TIP3 OH2 OT -0.834000 15.9994 0 22729 WAT 2414 TIP3 H1 HT 0.417000 1.0080 0 22730 WAT 2414 TIP3 H2 HT 0.417000 1.0080 0 22731 WAT 2415 TIP3 OH2 OT -0.834000 15.9994 0 22732 WAT 2415 TIP3 H1 HT 0.417000 1.0080 0 22733 WAT 2415 TIP3 H2 HT 0.417000 1.0080 0 22734 WAT 2416 TIP3 OH2 OT -0.834000 15.9994 0 22735 WAT 2416 TIP3 H1 HT 0.417000 1.0080 0 22736 WAT 2416 TIP3 H2 HT 0.417000 1.0080 0 22737 WAT 2417 TIP3 OH2 OT -0.834000 15.9994 0 22738 WAT 2417 TIP3 H1 HT 0.417000 1.0080 0 22739 WAT 2417 TIP3 H2 HT 0.417000 1.0080 0 22740 WAT 2418 TIP3 OH2 OT -0.834000 15.9994 0 22741 WAT 2418 TIP3 H1 HT 0.417000 1.0080 0 22742 WAT 2418 TIP3 H2 HT 0.417000 1.0080 0 22743 WAT 2419 TIP3 OH2 OT -0.834000 15.9994 0 22744 WAT 2419 TIP3 H1 HT 0.417000 1.0080 0 22745 WAT 2419 TIP3 H2 HT 0.417000 1.0080 0 22746 WAT 2420 TIP3 OH2 OT -0.834000 15.9994 0 22747 WAT 2420 TIP3 H1 HT 0.417000 1.0080 0 22748 WAT 2420 TIP3 H2 HT 0.417000 1.0080 0 22749 WAT 2421 TIP3 OH2 OT -0.834000 15.9994 0 22750 WAT 2421 TIP3 H1 HT 0.417000 1.0080 0 22751 WAT 2421 TIP3 H2 HT 0.417000 1.0080 0 22752 WAT 2422 TIP3 OH2 OT -0.834000 15.9994 0 22753 WAT 2422 TIP3 H1 HT 0.417000 1.0080 0 22754 WAT 2422 TIP3 H2 HT 0.417000 1.0080 0 22755 WAT 2423 TIP3 OH2 OT -0.834000 15.9994 0 22756 WAT 2423 TIP3 H1 HT 0.417000 1.0080 0 22757 WAT 2423 TIP3 H2 HT 0.417000 1.0080 0 22758 WAT 2424 TIP3 OH2 OT -0.834000 15.9994 0 22759 WAT 2424 TIP3 H1 HT 0.417000 1.0080 0 22760 WAT 2424 TIP3 H2 HT 0.417000 1.0080 0 22761 WAT 2425 TIP3 OH2 OT -0.834000 15.9994 0 22762 WAT 2425 TIP3 H1 HT 0.417000 1.0080 0 22763 WAT 2425 TIP3 H2 HT 0.417000 1.0080 0 22764 WAT 2426 TIP3 OH2 OT -0.834000 15.9994 0 22765 WAT 2426 TIP3 H1 HT 0.417000 1.0080 0 22766 WAT 2426 TIP3 H2 HT 0.417000 1.0080 0 22767 WAT 2427 TIP3 OH2 OT -0.834000 15.9994 0 22768 WAT 2427 TIP3 H1 HT 0.417000 1.0080 0 22769 WAT 2427 TIP3 H2 HT 0.417000 1.0080 0 22770 WAT 2428 TIP3 OH2 OT -0.834000 15.9994 0 22771 WAT 2428 TIP3 H1 HT 0.417000 1.0080 0 22772 WAT 2428 TIP3 H2 HT 0.417000 1.0080 0 22773 WAT 2429 TIP3 OH2 OT -0.834000 15.9994 0 22774 WAT 2429 TIP3 H1 HT 0.417000 1.0080 0 22775 WAT 2429 TIP3 H2 HT 0.417000 1.0080 0 22776 WAT 2430 TIP3 OH2 OT -0.834000 15.9994 0 22777 WAT 2430 TIP3 H1 HT 0.417000 1.0080 0 22778 WAT 2430 TIP3 H2 HT 0.417000 1.0080 0 22779 WAT 2431 TIP3 OH2 OT -0.834000 15.9994 0 22780 WAT 2431 TIP3 H1 HT 0.417000 1.0080 0 22781 WAT 2431 TIP3 H2 HT 0.417000 1.0080 0 22782 WAT 2432 TIP3 OH2 OT -0.834000 15.9994 0 22783 WAT 2432 TIP3 H1 HT 0.417000 1.0080 0 22784 WAT 2432 TIP3 H2 HT 0.417000 1.0080 0 22785 WAT 2433 TIP3 OH2 OT -0.834000 15.9994 0 22786 WAT 2433 TIP3 H1 HT 0.417000 1.0080 0 22787 WAT 2433 TIP3 H2 HT 0.417000 1.0080 0 22788 WAT 2434 TIP3 OH2 OT -0.834000 15.9994 0 22789 WAT 2434 TIP3 H1 HT 0.417000 1.0080 0 22790 WAT 2434 TIP3 H2 HT 0.417000 1.0080 0 22791 WAT 2435 TIP3 OH2 OT -0.834000 15.9994 0 22792 WAT 2435 TIP3 H1 HT 0.417000 1.0080 0 22793 WAT 2435 TIP3 H2 HT 0.417000 1.0080 0 22794 WAT 2436 TIP3 OH2 OT -0.834000 15.9994 0 22795 WAT 2436 TIP3 H1 HT 0.417000 1.0080 0 22796 WAT 2436 TIP3 H2 HT 0.417000 1.0080 0 22797 WAT 2437 TIP3 OH2 OT -0.834000 15.9994 0 22798 WAT 2437 TIP3 H1 HT 0.417000 1.0080 0 22799 WAT 2437 TIP3 H2 HT 0.417000 1.0080 0 22800 WAT 2438 TIP3 OH2 OT -0.834000 15.9994 0 22801 WAT 2438 TIP3 H1 HT 0.417000 1.0080 0 22802 WAT 2438 TIP3 H2 HT 0.417000 1.0080 0 22803 WAT 2439 TIP3 OH2 OT -0.834000 15.9994 0 22804 WAT 2439 TIP3 H1 HT 0.417000 1.0080 0 22805 WAT 2439 TIP3 H2 HT 0.417000 1.0080 0 22806 WAT 2440 TIP3 OH2 OT -0.834000 15.9994 0 22807 WAT 2440 TIP3 H1 HT 0.417000 1.0080 0 22808 WAT 2440 TIP3 H2 HT 0.417000 1.0080 0 22809 WAT 2441 TIP3 OH2 OT -0.834000 15.9994 0 22810 WAT 2441 TIP3 H1 HT 0.417000 1.0080 0 22811 WAT 2441 TIP3 H2 HT 0.417000 1.0080 0 22812 WAT 2442 TIP3 OH2 OT -0.834000 15.9994 0 22813 WAT 2442 TIP3 H1 HT 0.417000 1.0080 0 22814 WAT 2442 TIP3 H2 HT 0.417000 1.0080 0 22815 WAT 2443 TIP3 OH2 OT -0.834000 15.9994 0 22816 WAT 2443 TIP3 H1 HT 0.417000 1.0080 0 22817 WAT 2443 TIP3 H2 HT 0.417000 1.0080 0 22818 WAT 2444 TIP3 OH2 OT -0.834000 15.9994 0 22819 WAT 2444 TIP3 H1 HT 0.417000 1.0080 0 22820 WAT 2444 TIP3 H2 HT 0.417000 1.0080 0 22821 WAT 2445 TIP3 OH2 OT -0.834000 15.9994 0 22822 WAT 2445 TIP3 H1 HT 0.417000 1.0080 0 22823 WAT 2445 TIP3 H2 HT 0.417000 1.0080 0 22824 WAT 2446 TIP3 OH2 OT -0.834000 15.9994 0 22825 WAT 2446 TIP3 H1 HT 0.417000 1.0080 0 22826 WAT 2446 TIP3 H2 HT 0.417000 1.0080 0 22827 WAT 2447 TIP3 OH2 OT -0.834000 15.9994 0 22828 WAT 2447 TIP3 H1 HT 0.417000 1.0080 0 22829 WAT 2447 TIP3 H2 HT 0.417000 1.0080 0 22830 WAT 2448 TIP3 OH2 OT -0.834000 15.9994 0 22831 WAT 2448 TIP3 H1 HT 0.417000 1.0080 0 22832 WAT 2448 TIP3 H2 HT 0.417000 1.0080 0 22833 WAT 2449 TIP3 OH2 OT -0.834000 15.9994 0 22834 WAT 2449 TIP3 H1 HT 0.417000 1.0080 0 22835 WAT 2449 TIP3 H2 HT 0.417000 1.0080 0 22836 WAT 2450 TIP3 OH2 OT -0.834000 15.9994 0 22837 WAT 2450 TIP3 H1 HT 0.417000 1.0080 0 22838 WAT 2450 TIP3 H2 HT 0.417000 1.0080 0 22839 WAT 2451 TIP3 OH2 OT -0.834000 15.9994 0 22840 WAT 2451 TIP3 H1 HT 0.417000 1.0080 0 22841 WAT 2451 TIP3 H2 HT 0.417000 1.0080 0 22842 WAT 2452 TIP3 OH2 OT -0.834000 15.9994 0 22843 WAT 2452 TIP3 H1 HT 0.417000 1.0080 0 22844 WAT 2452 TIP3 H2 HT 0.417000 1.0080 0 22845 WAT 2453 TIP3 OH2 OT -0.834000 15.9994 0 22846 WAT 2453 TIP3 H1 HT 0.417000 1.0080 0 22847 WAT 2453 TIP3 H2 HT 0.417000 1.0080 0 22848 WAT 2454 TIP3 OH2 OT -0.834000 15.9994 0 22849 WAT 2454 TIP3 H1 HT 0.417000 1.0080 0 22850 WAT 2454 TIP3 H2 HT 0.417000 1.0080 0 22851 WAT 2455 TIP3 OH2 OT -0.834000 15.9994 0 22852 WAT 2455 TIP3 H1 HT 0.417000 1.0080 0 22853 WAT 2455 TIP3 H2 HT 0.417000 1.0080 0 22854 WAT 2456 TIP3 OH2 OT -0.834000 15.9994 0 22855 WAT 2456 TIP3 H1 HT 0.417000 1.0080 0 22856 WAT 2456 TIP3 H2 HT 0.417000 1.0080 0 22857 WAT 2457 TIP3 OH2 OT -0.834000 15.9994 0 22858 WAT 2457 TIP3 H1 HT 0.417000 1.0080 0 22859 WAT 2457 TIP3 H2 HT 0.417000 1.0080 0 22860 WAT 2458 TIP3 OH2 OT -0.834000 15.9994 0 22861 WAT 2458 TIP3 H1 HT 0.417000 1.0080 0 22862 WAT 2458 TIP3 H2 HT 0.417000 1.0080 0 22863 WAT 2459 TIP3 OH2 OT -0.834000 15.9994 0 22864 WAT 2459 TIP3 H1 HT 0.417000 1.0080 0 22865 WAT 2459 TIP3 H2 HT 0.417000 1.0080 0 22866 WAT 2460 TIP3 OH2 OT -0.834000 15.9994 0 22867 WAT 2460 TIP3 H1 HT 0.417000 1.0080 0 22868 WAT 2460 TIP3 H2 HT 0.417000 1.0080 0 22869 WAT 2461 TIP3 OH2 OT -0.834000 15.9994 0 22870 WAT 2461 TIP3 H1 HT 0.417000 1.0080 0 22871 WAT 2461 TIP3 H2 HT 0.417000 1.0080 0 22872 WAT 2462 TIP3 OH2 OT -0.834000 15.9994 0 22873 WAT 2462 TIP3 H1 HT 0.417000 1.0080 0 22874 WAT 2462 TIP3 H2 HT 0.417000 1.0080 0 22875 WAT 2463 TIP3 OH2 OT -0.834000 15.9994 0 22876 WAT 2463 TIP3 H1 HT 0.417000 1.0080 0 22877 WAT 2463 TIP3 H2 HT 0.417000 1.0080 0 22878 WAT 2464 TIP3 OH2 OT -0.834000 15.9994 0 22879 WAT 2464 TIP3 H1 HT 0.417000 1.0080 0 22880 WAT 2464 TIP3 H2 HT 0.417000 1.0080 0 22881 WAT 2465 TIP3 OH2 OT -0.834000 15.9994 0 22882 WAT 2465 TIP3 H1 HT 0.417000 1.0080 0 22883 WAT 2465 TIP3 H2 HT 0.417000 1.0080 0 22884 WAT 2466 TIP3 OH2 OT -0.834000 15.9994 0 22885 WAT 2466 TIP3 H1 HT 0.417000 1.0080 0 22886 WAT 2466 TIP3 H2 HT 0.417000 1.0080 0 22887 WAT 2467 TIP3 OH2 OT -0.834000 15.9994 0 22888 WAT 2467 TIP3 H1 HT 0.417000 1.0080 0 22889 WAT 2467 TIP3 H2 HT 0.417000 1.0080 0 22890 WAT 2468 TIP3 OH2 OT -0.834000 15.9994 0 22891 WAT 2468 TIP3 H1 HT 0.417000 1.0080 0 22892 WAT 2468 TIP3 H2 HT 0.417000 1.0080 0 22893 WAT 2469 TIP3 OH2 OT -0.834000 15.9994 0 22894 WAT 2469 TIP3 H1 HT 0.417000 1.0080 0 22895 WAT 2469 TIP3 H2 HT 0.417000 1.0080 0 22896 WAT 2470 TIP3 OH2 OT -0.834000 15.9994 0 22897 WAT 2470 TIP3 H1 HT 0.417000 1.0080 0 22898 WAT 2470 TIP3 H2 HT 0.417000 1.0080 0 22899 WAT 2471 TIP3 OH2 OT -0.834000 15.9994 0 22900 WAT 2471 TIP3 H1 HT 0.417000 1.0080 0 22901 WAT 2471 TIP3 H2 HT 0.417000 1.0080 0 22902 WAT 2472 TIP3 OH2 OT -0.834000 15.9994 0 22903 WAT 2472 TIP3 H1 HT 0.417000 1.0080 0 22904 WAT 2472 TIP3 H2 HT 0.417000 1.0080 0 22905 WAT 2473 TIP3 OH2 OT -0.834000 15.9994 0 22906 WAT 2473 TIP3 H1 HT 0.417000 1.0080 0 22907 WAT 2473 TIP3 H2 HT 0.417000 1.0080 0 22908 WAT 2474 TIP3 OH2 OT -0.834000 15.9994 0 22909 WAT 2474 TIP3 H1 HT 0.417000 1.0080 0 22910 WAT 2474 TIP3 H2 HT 0.417000 1.0080 0 22911 WAT 2475 TIP3 OH2 OT -0.834000 15.9994 0 22912 WAT 2475 TIP3 H1 HT 0.417000 1.0080 0 22913 WAT 2475 TIP3 H2 HT 0.417000 1.0080 0 22914 WAT 2476 TIP3 OH2 OT -0.834000 15.9994 0 22915 WAT 2476 TIP3 H1 HT 0.417000 1.0080 0 22916 WAT 2476 TIP3 H2 HT 0.417000 1.0080 0 22917 WAT 2477 TIP3 OH2 OT -0.834000 15.9994 0 22918 WAT 2477 TIP3 H1 HT 0.417000 1.0080 0 22919 WAT 2477 TIP3 H2 HT 0.417000 1.0080 0 22920 WAT 2478 TIP3 OH2 OT -0.834000 15.9994 0 22921 WAT 2478 TIP3 H1 HT 0.417000 1.0080 0 22922 WAT 2478 TIP3 H2 HT 0.417000 1.0080 0 22923 WAT 2479 TIP3 OH2 OT -0.834000 15.9994 0 22924 WAT 2479 TIP3 H1 HT 0.417000 1.0080 0 22925 WAT 2479 TIP3 H2 HT 0.417000 1.0080 0 22926 WAT 2480 TIP3 OH2 OT -0.834000 15.9994 0 22927 WAT 2480 TIP3 H1 HT 0.417000 1.0080 0 22928 WAT 2480 TIP3 H2 HT 0.417000 1.0080 0 22929 WAT 2481 TIP3 OH2 OT -0.834000 15.9994 0 22930 WAT 2481 TIP3 H1 HT 0.417000 1.0080 0 22931 WAT 2481 TIP3 H2 HT 0.417000 1.0080 0 22932 WAT 2482 TIP3 OH2 OT -0.834000 15.9994 0 22933 WAT 2482 TIP3 H1 HT 0.417000 1.0080 0 22934 WAT 2482 TIP3 H2 HT 0.417000 1.0080 0 22935 WAT 2483 TIP3 OH2 OT -0.834000 15.9994 0 22936 WAT 2483 TIP3 H1 HT 0.417000 1.0080 0 22937 WAT 2483 TIP3 H2 HT 0.417000 1.0080 0 22938 WAT 2484 TIP3 OH2 OT -0.834000 15.9994 0 22939 WAT 2484 TIP3 H1 HT 0.417000 1.0080 0 22940 WAT 2484 TIP3 H2 HT 0.417000 1.0080 0 22941 WAT 2485 TIP3 OH2 OT -0.834000 15.9994 0 22942 WAT 2485 TIP3 H1 HT 0.417000 1.0080 0 22943 WAT 2485 TIP3 H2 HT 0.417000 1.0080 0 22944 WAT 2486 TIP3 OH2 OT -0.834000 15.9994 0 22945 WAT 2486 TIP3 H1 HT 0.417000 1.0080 0 22946 WAT 2486 TIP3 H2 HT 0.417000 1.0080 0 22947 WAT 2487 TIP3 OH2 OT -0.834000 15.9994 0 22948 WAT 2487 TIP3 H1 HT 0.417000 1.0080 0 22949 WAT 2487 TIP3 H2 HT 0.417000 1.0080 0 22950 WAT 2488 TIP3 OH2 OT -0.834000 15.9994 0 22951 WAT 2488 TIP3 H1 HT 0.417000 1.0080 0 22952 WAT 2488 TIP3 H2 HT 0.417000 1.0080 0 22953 WAT 2489 TIP3 OH2 OT -0.834000 15.9994 0 22954 WAT 2489 TIP3 H1 HT 0.417000 1.0080 0 22955 WAT 2489 TIP3 H2 HT 0.417000 1.0080 0 22956 WAT 2490 TIP3 OH2 OT -0.834000 15.9994 0 22957 WAT 2490 TIP3 H1 HT 0.417000 1.0080 0 22958 WAT 2490 TIP3 H2 HT 0.417000 1.0080 0 22959 WAT 2491 TIP3 OH2 OT -0.834000 15.9994 0 22960 WAT 2491 TIP3 H1 HT 0.417000 1.0080 0 22961 WAT 2491 TIP3 H2 HT 0.417000 1.0080 0 22962 WAT 2492 TIP3 OH2 OT -0.834000 15.9994 0 22963 WAT 2492 TIP3 H1 HT 0.417000 1.0080 0 22964 WAT 2492 TIP3 H2 HT 0.417000 1.0080 0 22965 WAT 2493 TIP3 OH2 OT -0.834000 15.9994 0 22966 WAT 2493 TIP3 H1 HT 0.417000 1.0080 0 22967 WAT 2493 TIP3 H2 HT 0.417000 1.0080 0 22968 WAT 2494 TIP3 OH2 OT -0.834000 15.9994 0 22969 WAT 2494 TIP3 H1 HT 0.417000 1.0080 0 22970 WAT 2494 TIP3 H2 HT 0.417000 1.0080 0 22971 WAT 2495 TIP3 OH2 OT -0.834000 15.9994 0 22972 WAT 2495 TIP3 H1 HT 0.417000 1.0080 0 22973 WAT 2495 TIP3 H2 HT 0.417000 1.0080 0 22974 WAT 2496 TIP3 OH2 OT -0.834000 15.9994 0 22975 WAT 2496 TIP3 H1 HT 0.417000 1.0080 0 22976 WAT 2496 TIP3 H2 HT 0.417000 1.0080 0 22977 WAT 2497 TIP3 OH2 OT -0.834000 15.9994 0 22978 WAT 2497 TIP3 H1 HT 0.417000 1.0080 0 22979 WAT 2497 TIP3 H2 HT 0.417000 1.0080 0 22980 WAT 2498 TIP3 OH2 OT -0.834000 15.9994 0 22981 WAT 2498 TIP3 H1 HT 0.417000 1.0080 0 22982 WAT 2498 TIP3 H2 HT 0.417000 1.0080 0 22983 WAT 2499 TIP3 OH2 OT -0.834000 15.9994 0 22984 WAT 2499 TIP3 H1 HT 0.417000 1.0080 0 22985 WAT 2499 TIP3 H2 HT 0.417000 1.0080 0 22986 WAT 2500 TIP3 OH2 OT -0.834000 15.9994 0 22987 WAT 2500 TIP3 H1 HT 0.417000 1.0080 0 22988 WAT 2500 TIP3 H2 HT 0.417000 1.0080 0 22989 WAT 2501 TIP3 OH2 OT -0.834000 15.9994 0 22990 WAT 2501 TIP3 H1 HT 0.417000 1.0080 0 22991 WAT 2501 TIP3 H2 HT 0.417000 1.0080 0 22992 WAT 2502 TIP3 OH2 OT -0.834000 15.9994 0 22993 WAT 2502 TIP3 H1 HT 0.417000 1.0080 0 22994 WAT 2502 TIP3 H2 HT 0.417000 1.0080 0 22995 WAT 2503 TIP3 OH2 OT -0.834000 15.9994 0 22996 WAT 2503 TIP3 H1 HT 0.417000 1.0080 0 22997 WAT 2503 TIP3 H2 HT 0.417000 1.0080 0 22998 WAT 2504 TIP3 OH2 OT -0.834000 15.9994 0 22999 WAT 2504 TIP3 H1 HT 0.417000 1.0080 0 23000 WAT 2504 TIP3 H2 HT 0.417000 1.0080 0 23001 WAT 2505 TIP3 OH2 OT -0.834000 15.9994 0 23002 WAT 2505 TIP3 H1 HT 0.417000 1.0080 0 23003 WAT 2505 TIP3 H2 HT 0.417000 1.0080 0 23004 WAT 2506 TIP3 OH2 OT -0.834000 15.9994 0 23005 WAT 2506 TIP3 H1 HT 0.417000 1.0080 0 23006 WAT 2506 TIP3 H2 HT 0.417000 1.0080 0 23007 WAT 2507 TIP3 OH2 OT -0.834000 15.9994 0 23008 WAT 2507 TIP3 H1 HT 0.417000 1.0080 0 23009 WAT 2507 TIP3 H2 HT 0.417000 1.0080 0 23010 WAT 2508 TIP3 OH2 OT -0.834000 15.9994 0 23011 WAT 2508 TIP3 H1 HT 0.417000 1.0080 0 23012 WAT 2508 TIP3 H2 HT 0.417000 1.0080 0 23013 WAT 2509 TIP3 OH2 OT -0.834000 15.9994 0 23014 WAT 2509 TIP3 H1 HT 0.417000 1.0080 0 23015 WAT 2509 TIP3 H2 HT 0.417000 1.0080 0 23016 WAT 2510 TIP3 OH2 OT -0.834000 15.9994 0 23017 WAT 2510 TIP3 H1 HT 0.417000 1.0080 0 23018 WAT 2510 TIP3 H2 HT 0.417000 1.0080 0 23019 WAT 2511 TIP3 OH2 OT -0.834000 15.9994 0 23020 WAT 2511 TIP3 H1 HT 0.417000 1.0080 0 23021 WAT 2511 TIP3 H2 HT 0.417000 1.0080 0 23022 WAT 2512 TIP3 OH2 OT -0.834000 15.9994 0 23023 WAT 2512 TIP3 H1 HT 0.417000 1.0080 0 23024 WAT 2512 TIP3 H2 HT 0.417000 1.0080 0 23025 WAT 2513 TIP3 OH2 OT -0.834000 15.9994 0 23026 WAT 2513 TIP3 H1 HT 0.417000 1.0080 0 23027 WAT 2513 TIP3 H2 HT 0.417000 1.0080 0 23028 WAT 2514 TIP3 OH2 OT -0.834000 15.9994 0 23029 WAT 2514 TIP3 H1 HT 0.417000 1.0080 0 23030 WAT 2514 TIP3 H2 HT 0.417000 1.0080 0 23031 WAT 2515 TIP3 OH2 OT -0.834000 15.9994 0 23032 WAT 2515 TIP3 H1 HT 0.417000 1.0080 0 23033 WAT 2515 TIP3 H2 HT 0.417000 1.0080 0 23034 WAT 2516 TIP3 OH2 OT -0.834000 15.9994 0 23035 WAT 2516 TIP3 H1 HT 0.417000 1.0080 0 23036 WAT 2516 TIP3 H2 HT 0.417000 1.0080 0 23037 WAT 2517 TIP3 OH2 OT -0.834000 15.9994 0 23038 WAT 2517 TIP3 H1 HT 0.417000 1.0080 0 23039 WAT 2517 TIP3 H2 HT 0.417000 1.0080 0 23040 WAT 2518 TIP3 OH2 OT -0.834000 15.9994 0 23041 WAT 2518 TIP3 H1 HT 0.417000 1.0080 0 23042 WAT 2518 TIP3 H2 HT 0.417000 1.0080 0 23043 WAT 2519 TIP3 OH2 OT -0.834000 15.9994 0 23044 WAT 2519 TIP3 H1 HT 0.417000 1.0080 0 23045 WAT 2519 TIP3 H2 HT 0.417000 1.0080 0 23046 WAT 2520 TIP3 OH2 OT -0.834000 15.9994 0 23047 WAT 2520 TIP3 H1 HT 0.417000 1.0080 0 23048 WAT 2520 TIP3 H2 HT 0.417000 1.0080 0 23049 WAT 2521 TIP3 OH2 OT -0.834000 15.9994 0 23050 WAT 2521 TIP3 H1 HT 0.417000 1.0080 0 23051 WAT 2521 TIP3 H2 HT 0.417000 1.0080 0 23052 WAT 2522 TIP3 OH2 OT -0.834000 15.9994 0 23053 WAT 2522 TIP3 H1 HT 0.417000 1.0080 0 23054 WAT 2522 TIP3 H2 HT 0.417000 1.0080 0 23055 WAT 2523 TIP3 OH2 OT -0.834000 15.9994 0 23056 WAT 2523 TIP3 H1 HT 0.417000 1.0080 0 23057 WAT 2523 TIP3 H2 HT 0.417000 1.0080 0 23058 WAT 2524 TIP3 OH2 OT -0.834000 15.9994 0 23059 WAT 2524 TIP3 H1 HT 0.417000 1.0080 0 23060 WAT 2524 TIP3 H2 HT 0.417000 1.0080 0 23061 WAT 2525 TIP3 OH2 OT -0.834000 15.9994 0 23062 WAT 2525 TIP3 H1 HT 0.417000 1.0080 0 23063 WAT 2525 TIP3 H2 HT 0.417000 1.0080 0 23064 WAT 2526 TIP3 OH2 OT -0.834000 15.9994 0 23065 WAT 2526 TIP3 H1 HT 0.417000 1.0080 0 23066 WAT 2526 TIP3 H2 HT 0.417000 1.0080 0 23067 WAT 2527 TIP3 OH2 OT -0.834000 15.9994 0 23068 WAT 2527 TIP3 H1 HT 0.417000 1.0080 0 23069 WAT 2527 TIP3 H2 HT 0.417000 1.0080 0 23070 WAT 2528 TIP3 OH2 OT -0.834000 15.9994 0 23071 WAT 2528 TIP3 H1 HT 0.417000 1.0080 0 23072 WAT 2528 TIP3 H2 HT 0.417000 1.0080 0 23073 WAT 2529 TIP3 OH2 OT -0.834000 15.9994 0 23074 WAT 2529 TIP3 H1 HT 0.417000 1.0080 0 23075 WAT 2529 TIP3 H2 HT 0.417000 1.0080 0 23076 WAT 2530 TIP3 OH2 OT -0.834000 15.9994 0 23077 WAT 2530 TIP3 H1 HT 0.417000 1.0080 0 23078 WAT 2530 TIP3 H2 HT 0.417000 1.0080 0 23079 WAT 2531 TIP3 OH2 OT -0.834000 15.9994 0 23080 WAT 2531 TIP3 H1 HT 0.417000 1.0080 0 23081 WAT 2531 TIP3 H2 HT 0.417000 1.0080 0 23082 WAT 2532 TIP3 OH2 OT -0.834000 15.9994 0 23083 WAT 2532 TIP3 H1 HT 0.417000 1.0080 0 23084 WAT 2532 TIP3 H2 HT 0.417000 1.0080 0 23085 WAT 2533 TIP3 OH2 OT -0.834000 15.9994 0 23086 WAT 2533 TIP3 H1 HT 0.417000 1.0080 0 23087 WAT 2533 TIP3 H2 HT 0.417000 1.0080 0 23088 WAT 2534 TIP3 OH2 OT -0.834000 15.9994 0 23089 WAT 2534 TIP3 H1 HT 0.417000 1.0080 0 23090 WAT 2534 TIP3 H2 HT 0.417000 1.0080 0 23091 WAT 2535 TIP3 OH2 OT -0.834000 15.9994 0 23092 WAT 2535 TIP3 H1 HT 0.417000 1.0080 0 23093 WAT 2535 TIP3 H2 HT 0.417000 1.0080 0 23094 WAT 2536 TIP3 OH2 OT -0.834000 15.9994 0 23095 WAT 2536 TIP3 H1 HT 0.417000 1.0080 0 23096 WAT 2536 TIP3 H2 HT 0.417000 1.0080 0 23097 WAT 2537 TIP3 OH2 OT -0.834000 15.9994 0 23098 WAT 2537 TIP3 H1 HT 0.417000 1.0080 0 23099 WAT 2537 TIP3 H2 HT 0.417000 1.0080 0 23100 WAT 2538 TIP3 OH2 OT -0.834000 15.9994 0 23101 WAT 2538 TIP3 H1 HT 0.417000 1.0080 0 23102 WAT 2538 TIP3 H2 HT 0.417000 1.0080 0 23103 WAT 2539 TIP3 OH2 OT -0.834000 15.9994 0 23104 WAT 2539 TIP3 H1 HT 0.417000 1.0080 0 23105 WAT 2539 TIP3 H2 HT 0.417000 1.0080 0 23106 WAT 2540 TIP3 OH2 OT -0.834000 15.9994 0 23107 WAT 2540 TIP3 H1 HT 0.417000 1.0080 0 23108 WAT 2540 TIP3 H2 HT 0.417000 1.0080 0 23109 WAT 2541 TIP3 OH2 OT -0.834000 15.9994 0 23110 WAT 2541 TIP3 H1 HT 0.417000 1.0080 0 23111 WAT 2541 TIP3 H2 HT 0.417000 1.0080 0 23112 WAT 2542 TIP3 OH2 OT -0.834000 15.9994 0 23113 WAT 2542 TIP3 H1 HT 0.417000 1.0080 0 23114 WAT 2542 TIP3 H2 HT 0.417000 1.0080 0 23115 WAT 2543 TIP3 OH2 OT -0.834000 15.9994 0 23116 WAT 2543 TIP3 H1 HT 0.417000 1.0080 0 23117 WAT 2543 TIP3 H2 HT 0.417000 1.0080 0 23118 WAT 2544 TIP3 OH2 OT -0.834000 15.9994 0 23119 WAT 2544 TIP3 H1 HT 0.417000 1.0080 0 23120 WAT 2544 TIP3 H2 HT 0.417000 1.0080 0 23121 WAT 2545 TIP3 OH2 OT -0.834000 15.9994 0 23122 WAT 2545 TIP3 H1 HT 0.417000 1.0080 0 23123 WAT 2545 TIP3 H2 HT 0.417000 1.0080 0 23124 WAT 2546 TIP3 OH2 OT -0.834000 15.9994 0 23125 WAT 2546 TIP3 H1 HT 0.417000 1.0080 0 23126 WAT 2546 TIP3 H2 HT 0.417000 1.0080 0 23127 WAT 2547 TIP3 OH2 OT -0.834000 15.9994 0 23128 WAT 2547 TIP3 H1 HT 0.417000 1.0080 0 23129 WAT 2547 TIP3 H2 HT 0.417000 1.0080 0 23130 WAT 2548 TIP3 OH2 OT -0.834000 15.9994 0 23131 WAT 2548 TIP3 H1 HT 0.417000 1.0080 0 23132 WAT 2548 TIP3 H2 HT 0.417000 1.0080 0 23133 WAT 2549 TIP3 OH2 OT -0.834000 15.9994 0 23134 WAT 2549 TIP3 H1 HT 0.417000 1.0080 0 23135 WAT 2549 TIP3 H2 HT 0.417000 1.0080 0 23136 WAT 2550 TIP3 OH2 OT -0.834000 15.9994 0 23137 WAT 2550 TIP3 H1 HT 0.417000 1.0080 0 23138 WAT 2550 TIP3 H2 HT 0.417000 1.0080 0 23139 WAT 2551 TIP3 OH2 OT -0.834000 15.9994 0 23140 WAT 2551 TIP3 H1 HT 0.417000 1.0080 0 23141 WAT 2551 TIP3 H2 HT 0.417000 1.0080 0 23142 WAT 2552 TIP3 OH2 OT -0.834000 15.9994 0 23143 WAT 2552 TIP3 H1 HT 0.417000 1.0080 0 23144 WAT 2552 TIP3 H2 HT 0.417000 1.0080 0 23145 WAT 2553 TIP3 OH2 OT -0.834000 15.9994 0 23146 WAT 2553 TIP3 H1 HT 0.417000 1.0080 0 23147 WAT 2553 TIP3 H2 HT 0.417000 1.0080 0 23148 WAT 2554 TIP3 OH2 OT -0.834000 15.9994 0 23149 WAT 2554 TIP3 H1 HT 0.417000 1.0080 0 23150 WAT 2554 TIP3 H2 HT 0.417000 1.0080 0 23151 WAT 2555 TIP3 OH2 OT -0.834000 15.9994 0 23152 WAT 2555 TIP3 H1 HT 0.417000 1.0080 0 23153 WAT 2555 TIP3 H2 HT 0.417000 1.0080 0 23154 WAT 2556 TIP3 OH2 OT -0.834000 15.9994 0 23155 WAT 2556 TIP3 H1 HT 0.417000 1.0080 0 23156 WAT 2556 TIP3 H2 HT 0.417000 1.0080 0 23157 WAT 2557 TIP3 OH2 OT -0.834000 15.9994 0 23158 WAT 2557 TIP3 H1 HT 0.417000 1.0080 0 23159 WAT 2557 TIP3 H2 HT 0.417000 1.0080 0 23160 WAT 2558 TIP3 OH2 OT -0.834000 15.9994 0 23161 WAT 2558 TIP3 H1 HT 0.417000 1.0080 0 23162 WAT 2558 TIP3 H2 HT 0.417000 1.0080 0 23163 WAT 2559 TIP3 OH2 OT -0.834000 15.9994 0 23164 WAT 2559 TIP3 H1 HT 0.417000 1.0080 0 23165 WAT 2559 TIP3 H2 HT 0.417000 1.0080 0 23166 WAT 2560 TIP3 OH2 OT -0.834000 15.9994 0 23167 WAT 2560 TIP3 H1 HT 0.417000 1.0080 0 23168 WAT 2560 TIP3 H2 HT 0.417000 1.0080 0 23169 WAT 2561 TIP3 OH2 OT -0.834000 15.9994 0 23170 WAT 2561 TIP3 H1 HT 0.417000 1.0080 0 23171 WAT 2561 TIP3 H2 HT 0.417000 1.0080 0 23172 WAT 2562 TIP3 OH2 OT -0.834000 15.9994 0 23173 WAT 2562 TIP3 H1 HT 0.417000 1.0080 0 23174 WAT 2562 TIP3 H2 HT 0.417000 1.0080 0 23175 WAT 2563 TIP3 OH2 OT -0.834000 15.9994 0 23176 WAT 2563 TIP3 H1 HT 0.417000 1.0080 0 23177 WAT 2563 TIP3 H2 HT 0.417000 1.0080 0 23178 WAT 2564 TIP3 OH2 OT -0.834000 15.9994 0 23179 WAT 2564 TIP3 H1 HT 0.417000 1.0080 0 23180 WAT 2564 TIP3 H2 HT 0.417000 1.0080 0 23181 WAT 2565 TIP3 OH2 OT -0.834000 15.9994 0 23182 WAT 2565 TIP3 H1 HT 0.417000 1.0080 0 23183 WAT 2565 TIP3 H2 HT 0.417000 1.0080 0 23184 WAT 2566 TIP3 OH2 OT -0.834000 15.9994 0 23185 WAT 2566 TIP3 H1 HT 0.417000 1.0080 0 23186 WAT 2566 TIP3 H2 HT 0.417000 1.0080 0 23187 WAT 2567 TIP3 OH2 OT -0.834000 15.9994 0 23188 WAT 2567 TIP3 H1 HT 0.417000 1.0080 0 23189 WAT 2567 TIP3 H2 HT 0.417000 1.0080 0 23190 WAT 2568 TIP3 OH2 OT -0.834000 15.9994 0 23191 WAT 2568 TIP3 H1 HT 0.417000 1.0080 0 23192 WAT 2568 TIP3 H2 HT 0.417000 1.0080 0 23193 WAT 2569 TIP3 OH2 OT -0.834000 15.9994 0 23194 WAT 2569 TIP3 H1 HT 0.417000 1.0080 0 23195 WAT 2569 TIP3 H2 HT 0.417000 1.0080 0 23196 WAT 2570 TIP3 OH2 OT -0.834000 15.9994 0 23197 WAT 2570 TIP3 H1 HT 0.417000 1.0080 0 23198 WAT 2570 TIP3 H2 HT 0.417000 1.0080 0 23199 WAT 2571 TIP3 OH2 OT -0.834000 15.9994 0 23200 WAT 2571 TIP3 H1 HT 0.417000 1.0080 0 23201 WAT 2571 TIP3 H2 HT 0.417000 1.0080 0 23202 WAT 2572 TIP3 OH2 OT -0.834000 15.9994 0 23203 WAT 2572 TIP3 H1 HT 0.417000 1.0080 0 23204 WAT 2572 TIP3 H2 HT 0.417000 1.0080 0 23205 WAT 2573 TIP3 OH2 OT -0.834000 15.9994 0 23206 WAT 2573 TIP3 H1 HT 0.417000 1.0080 0 23207 WAT 2573 TIP3 H2 HT 0.417000 1.0080 0 23208 WAT 2574 TIP3 OH2 OT -0.834000 15.9994 0 23209 WAT 2574 TIP3 H1 HT 0.417000 1.0080 0 23210 WAT 2574 TIP3 H2 HT 0.417000 1.0080 0 23211 WAT 2575 TIP3 OH2 OT -0.834000 15.9994 0 23212 WAT 2575 TIP3 H1 HT 0.417000 1.0080 0 23213 WAT 2575 TIP3 H2 HT 0.417000 1.0080 0 23214 WAT 2576 TIP3 OH2 OT -0.834000 15.9994 0 23215 WAT 2576 TIP3 H1 HT 0.417000 1.0080 0 23216 WAT 2576 TIP3 H2 HT 0.417000 1.0080 0 23217 WAT 2577 TIP3 OH2 OT -0.834000 15.9994 0 23218 WAT 2577 TIP3 H1 HT 0.417000 1.0080 0 23219 WAT 2577 TIP3 H2 HT 0.417000 1.0080 0 23220 WAT 2578 TIP3 OH2 OT -0.834000 15.9994 0 23221 WAT 2578 TIP3 H1 HT 0.417000 1.0080 0 23222 WAT 2578 TIP3 H2 HT 0.417000 1.0080 0 23223 WAT 2579 TIP3 OH2 OT -0.834000 15.9994 0 23224 WAT 2579 TIP3 H1 HT 0.417000 1.0080 0 23225 WAT 2579 TIP3 H2 HT 0.417000 1.0080 0 23226 WAT 2580 TIP3 OH2 OT -0.834000 15.9994 0 23227 WAT 2580 TIP3 H1 HT 0.417000 1.0080 0 23228 WAT 2580 TIP3 H2 HT 0.417000 1.0080 0 23229 WAT 2581 TIP3 OH2 OT -0.834000 15.9994 0 23230 WAT 2581 TIP3 H1 HT 0.417000 1.0080 0 23231 WAT 2581 TIP3 H2 HT 0.417000 1.0080 0 23232 WAT 2582 TIP3 OH2 OT -0.834000 15.9994 0 23233 WAT 2582 TIP3 H1 HT 0.417000 1.0080 0 23234 WAT 2582 TIP3 H2 HT 0.417000 1.0080 0 23235 WAT 2583 TIP3 OH2 OT -0.834000 15.9994 0 23236 WAT 2583 TIP3 H1 HT 0.417000 1.0080 0 23237 WAT 2583 TIP3 H2 HT 0.417000 1.0080 0 23238 WAT 2584 TIP3 OH2 OT -0.834000 15.9994 0 23239 WAT 2584 TIP3 H1 HT 0.417000 1.0080 0 23240 WAT 2584 TIP3 H2 HT 0.417000 1.0080 0 23241 WAT 2585 TIP3 OH2 OT -0.834000 15.9994 0 23242 WAT 2585 TIP3 H1 HT 0.417000 1.0080 0 23243 WAT 2585 TIP3 H2 HT 0.417000 1.0080 0 23244 WAT 2586 TIP3 OH2 OT -0.834000 15.9994 0 23245 WAT 2586 TIP3 H1 HT 0.417000 1.0080 0 23246 WAT 2586 TIP3 H2 HT 0.417000 1.0080 0 23247 WAT 2587 TIP3 OH2 OT -0.834000 15.9994 0 23248 WAT 2587 TIP3 H1 HT 0.417000 1.0080 0 23249 WAT 2587 TIP3 H2 HT 0.417000 1.0080 0 23250 WAT 2588 TIP3 OH2 OT -0.834000 15.9994 0 23251 WAT 2588 TIP3 H1 HT 0.417000 1.0080 0 23252 WAT 2588 TIP3 H2 HT 0.417000 1.0080 0 23253 WAT 2589 TIP3 OH2 OT -0.834000 15.9994 0 23254 WAT 2589 TIP3 H1 HT 0.417000 1.0080 0 23255 WAT 2589 TIP3 H2 HT 0.417000 1.0080 0 23256 WAT 2590 TIP3 OH2 OT -0.834000 15.9994 0 23257 WAT 2590 TIP3 H1 HT 0.417000 1.0080 0 23258 WAT 2590 TIP3 H2 HT 0.417000 1.0080 0 23259 WAT 2591 TIP3 OH2 OT -0.834000 15.9994 0 23260 WAT 2591 TIP3 H1 HT 0.417000 1.0080 0 23261 WAT 2591 TIP3 H2 HT 0.417000 1.0080 0 23262 WAT 2592 TIP3 OH2 OT -0.834000 15.9994 0 23263 WAT 2592 TIP3 H1 HT 0.417000 1.0080 0 23264 WAT 2592 TIP3 H2 HT 0.417000 1.0080 0 23265 WAT 2593 TIP3 OH2 OT -0.834000 15.9994 0 23266 WAT 2593 TIP3 H1 HT 0.417000 1.0080 0 23267 WAT 2593 TIP3 H2 HT 0.417000 1.0080 0 23268 WAT 2594 TIP3 OH2 OT -0.834000 15.9994 0 23269 WAT 2594 TIP3 H1 HT 0.417000 1.0080 0 23270 WAT 2594 TIP3 H2 HT 0.417000 1.0080 0 23271 WAT 2595 TIP3 OH2 OT -0.834000 15.9994 0 23272 WAT 2595 TIP3 H1 HT 0.417000 1.0080 0 23273 WAT 2595 TIP3 H2 HT 0.417000 1.0080 0 23274 WAT 2596 TIP3 OH2 OT -0.834000 15.9994 0 23275 WAT 2596 TIP3 H1 HT 0.417000 1.0080 0 23276 WAT 2596 TIP3 H2 HT 0.417000 1.0080 0 23277 WAT 2597 TIP3 OH2 OT -0.834000 15.9994 0 23278 WAT 2597 TIP3 H1 HT 0.417000 1.0080 0 23279 WAT 2597 TIP3 H2 HT 0.417000 1.0080 0 23280 WAT 2598 TIP3 OH2 OT -0.834000 15.9994 0 23281 WAT 2598 TIP3 H1 HT 0.417000 1.0080 0 23282 WAT 2598 TIP3 H2 HT 0.417000 1.0080 0 23283 WAT 2599 TIP3 OH2 OT -0.834000 15.9994 0 23284 WAT 2599 TIP3 H1 HT 0.417000 1.0080 0 23285 WAT 2599 TIP3 H2 HT 0.417000 1.0080 0 23286 WAT 2600 TIP3 OH2 OT -0.834000 15.9994 0 23287 WAT 2600 TIP3 H1 HT 0.417000 1.0080 0 23288 WAT 2600 TIP3 H2 HT 0.417000 1.0080 0 23289 WAT 2601 TIP3 OH2 OT -0.834000 15.9994 0 23290 WAT 2601 TIP3 H1 HT 0.417000 1.0080 0 23291 WAT 2601 TIP3 H2 HT 0.417000 1.0080 0 23292 WAT 2602 TIP3 OH2 OT -0.834000 15.9994 0 23293 WAT 2602 TIP3 H1 HT 0.417000 1.0080 0 23294 WAT 2602 TIP3 H2 HT 0.417000 1.0080 0 23295 WAT 2603 TIP3 OH2 OT -0.834000 15.9994 0 23296 WAT 2603 TIP3 H1 HT 0.417000 1.0080 0 23297 WAT 2603 TIP3 H2 HT 0.417000 1.0080 0 23298 WAT 2604 TIP3 OH2 OT -0.834000 15.9994 0 23299 WAT 2604 TIP3 H1 HT 0.417000 1.0080 0 23300 WAT 2604 TIP3 H2 HT 0.417000 1.0080 0 23301 WAT 2605 TIP3 OH2 OT -0.834000 15.9994 0 23302 WAT 2605 TIP3 H1 HT 0.417000 1.0080 0 23303 WAT 2605 TIP3 H2 HT 0.417000 1.0080 0 23304 WAT 2606 TIP3 OH2 OT -0.834000 15.9994 0 23305 WAT 2606 TIP3 H1 HT 0.417000 1.0080 0 23306 WAT 2606 TIP3 H2 HT 0.417000 1.0080 0 23307 WAT 2607 TIP3 OH2 OT -0.834000 15.9994 0 23308 WAT 2607 TIP3 H1 HT 0.417000 1.0080 0 23309 WAT 2607 TIP3 H2 HT 0.417000 1.0080 0 23310 WAT 2608 TIP3 OH2 OT -0.834000 15.9994 0 23311 WAT 2608 TIP3 H1 HT 0.417000 1.0080 0 23312 WAT 2608 TIP3 H2 HT 0.417000 1.0080 0 23313 WAT 2609 TIP3 OH2 OT -0.834000 15.9994 0 23314 WAT 2609 TIP3 H1 HT 0.417000 1.0080 0 23315 WAT 2609 TIP3 H2 HT 0.417000 1.0080 0 23316 WAT 2610 TIP3 OH2 OT -0.834000 15.9994 0 23317 WAT 2610 TIP3 H1 HT 0.417000 1.0080 0 23318 WAT 2610 TIP3 H2 HT 0.417000 1.0080 0 23319 WAT 2611 TIP3 OH2 OT -0.834000 15.9994 0 23320 WAT 2611 TIP3 H1 HT 0.417000 1.0080 0 23321 WAT 2611 TIP3 H2 HT 0.417000 1.0080 0 23322 WAT 2612 TIP3 OH2 OT -0.834000 15.9994 0 23323 WAT 2612 TIP3 H1 HT 0.417000 1.0080 0 23324 WAT 2612 TIP3 H2 HT 0.417000 1.0080 0 23325 WAT 2613 TIP3 OH2 OT -0.834000 15.9994 0 23326 WAT 2613 TIP3 H1 HT 0.417000 1.0080 0 23327 WAT 2613 TIP3 H2 HT 0.417000 1.0080 0 23328 WAT 2614 TIP3 OH2 OT -0.834000 15.9994 0 23329 WAT 2614 TIP3 H1 HT 0.417000 1.0080 0 23330 WAT 2614 TIP3 H2 HT 0.417000 1.0080 0 23331 WAT 2615 TIP3 OH2 OT -0.834000 15.9994 0 23332 WAT 2615 TIP3 H1 HT 0.417000 1.0080 0 23333 WAT 2615 TIP3 H2 HT 0.417000 1.0080 0 23334 WAT 2616 TIP3 OH2 OT -0.834000 15.9994 0 23335 WAT 2616 TIP3 H1 HT 0.417000 1.0080 0 23336 WAT 2616 TIP3 H2 HT 0.417000 1.0080 0 23337 WAT 2617 TIP3 OH2 OT -0.834000 15.9994 0 23338 WAT 2617 TIP3 H1 HT 0.417000 1.0080 0 23339 WAT 2617 TIP3 H2 HT 0.417000 1.0080 0 23340 WAT 2618 TIP3 OH2 OT -0.834000 15.9994 0 23341 WAT 2618 TIP3 H1 HT 0.417000 1.0080 0 23342 WAT 2618 TIP3 H2 HT 0.417000 1.0080 0 23343 WAT 2619 TIP3 OH2 OT -0.834000 15.9994 0 23344 WAT 2619 TIP3 H1 HT 0.417000 1.0080 0 23345 WAT 2619 TIP3 H2 HT 0.417000 1.0080 0 23346 WAT 2620 TIP3 OH2 OT -0.834000 15.9994 0 23347 WAT 2620 TIP3 H1 HT 0.417000 1.0080 0 23348 WAT 2620 TIP3 H2 HT 0.417000 1.0080 0 23349 WAT 2621 TIP3 OH2 OT -0.834000 15.9994 0 23350 WAT 2621 TIP3 H1 HT 0.417000 1.0080 0 23351 WAT 2621 TIP3 H2 HT 0.417000 1.0080 0 23352 WAT 2622 TIP3 OH2 OT -0.834000 15.9994 0 23353 WAT 2622 TIP3 H1 HT 0.417000 1.0080 0 23354 WAT 2622 TIP3 H2 HT 0.417000 1.0080 0 23355 WAT 2623 TIP3 OH2 OT -0.834000 15.9994 0 23356 WAT 2623 TIP3 H1 HT 0.417000 1.0080 0 23357 WAT 2623 TIP3 H2 HT 0.417000 1.0080 0 23358 WAT 2624 TIP3 OH2 OT -0.834000 15.9994 0 23359 WAT 2624 TIP3 H1 HT 0.417000 1.0080 0 23360 WAT 2624 TIP3 H2 HT 0.417000 1.0080 0 23361 WAT 2625 TIP3 OH2 OT -0.834000 15.9994 0 23362 WAT 2625 TIP3 H1 HT 0.417000 1.0080 0 23363 WAT 2625 TIP3 H2 HT 0.417000 1.0080 0 23364 WAT 2626 TIP3 OH2 OT -0.834000 15.9994 0 23365 WAT 2626 TIP3 H1 HT 0.417000 1.0080 0 23366 WAT 2626 TIP3 H2 HT 0.417000 1.0080 0 23367 WAT 2627 TIP3 OH2 OT -0.834000 15.9994 0 23368 WAT 2627 TIP3 H1 HT 0.417000 1.0080 0 23369 WAT 2627 TIP3 H2 HT 0.417000 1.0080 0 23370 WAT 2628 TIP3 OH2 OT -0.834000 15.9994 0 23371 WAT 2628 TIP3 H1 HT 0.417000 1.0080 0 23372 WAT 2628 TIP3 H2 HT 0.417000 1.0080 0 23373 WAT 2629 TIP3 OH2 OT -0.834000 15.9994 0 23374 WAT 2629 TIP3 H1 HT 0.417000 1.0080 0 23375 WAT 2629 TIP3 H2 HT 0.417000 1.0080 0 23376 WAT 2630 TIP3 OH2 OT -0.834000 15.9994 0 23377 WAT 2630 TIP3 H1 HT 0.417000 1.0080 0 23378 WAT 2630 TIP3 H2 HT 0.417000 1.0080 0 23379 WAT 2631 TIP3 OH2 OT -0.834000 15.9994 0 23380 WAT 2631 TIP3 H1 HT 0.417000 1.0080 0 23381 WAT 2631 TIP3 H2 HT 0.417000 1.0080 0 23382 WAT 2632 TIP3 OH2 OT -0.834000 15.9994 0 23383 WAT 2632 TIP3 H1 HT 0.417000 1.0080 0 23384 WAT 2632 TIP3 H2 HT 0.417000 1.0080 0 23385 WAT 2633 TIP3 OH2 OT -0.834000 15.9994 0 23386 WAT 2633 TIP3 H1 HT 0.417000 1.0080 0 23387 WAT 2633 TIP3 H2 HT 0.417000 1.0080 0 23388 WAT 2634 TIP3 OH2 OT -0.834000 15.9994 0 23389 WAT 2634 TIP3 H1 HT 0.417000 1.0080 0 23390 WAT 2634 TIP3 H2 HT 0.417000 1.0080 0 23391 WAT 2635 TIP3 OH2 OT -0.834000 15.9994 0 23392 WAT 2635 TIP3 H1 HT 0.417000 1.0080 0 23393 WAT 2635 TIP3 H2 HT 0.417000 1.0080 0 23394 WAT 2636 TIP3 OH2 OT -0.834000 15.9994 0 23395 WAT 2636 TIP3 H1 HT 0.417000 1.0080 0 23396 WAT 2636 TIP3 H2 HT 0.417000 1.0080 0 23397 WAT 2637 TIP3 OH2 OT -0.834000 15.9994 0 23398 WAT 2637 TIP3 H1 HT 0.417000 1.0080 0 23399 WAT 2637 TIP3 H2 HT 0.417000 1.0080 0 23400 WAT 2638 TIP3 OH2 OT -0.834000 15.9994 0 23401 WAT 2638 TIP3 H1 HT 0.417000 1.0080 0 23402 WAT 2638 TIP3 H2 HT 0.417000 1.0080 0 23403 WAT 2639 TIP3 OH2 OT -0.834000 15.9994 0 23404 WAT 2639 TIP3 H1 HT 0.417000 1.0080 0 23405 WAT 2639 TIP3 H2 HT 0.417000 1.0080 0 23406 WAT 2640 TIP3 OH2 OT -0.834000 15.9994 0 23407 WAT 2640 TIP3 H1 HT 0.417000 1.0080 0 23408 WAT 2640 TIP3 H2 HT 0.417000 1.0080 0 23409 WAT 2641 TIP3 OH2 OT -0.834000 15.9994 0 23410 WAT 2641 TIP3 H1 HT 0.417000 1.0080 0 23411 WAT 2641 TIP3 H2 HT 0.417000 1.0080 0 23412 WAT 2642 TIP3 OH2 OT -0.834000 15.9994 0 23413 WAT 2642 TIP3 H1 HT 0.417000 1.0080 0 23414 WAT 2642 TIP3 H2 HT 0.417000 1.0080 0 23415 WAT 2643 TIP3 OH2 OT -0.834000 15.9994 0 23416 WAT 2643 TIP3 H1 HT 0.417000 1.0080 0 23417 WAT 2643 TIP3 H2 HT 0.417000 1.0080 0 23418 WAT 2644 TIP3 OH2 OT -0.834000 15.9994 0 23419 WAT 2644 TIP3 H1 HT 0.417000 1.0080 0 23420 WAT 2644 TIP3 H2 HT 0.417000 1.0080 0 23421 WAT 2645 TIP3 OH2 OT -0.834000 15.9994 0 23422 WAT 2645 TIP3 H1 HT 0.417000 1.0080 0 23423 WAT 2645 TIP3 H2 HT 0.417000 1.0080 0 23424 WAT 2646 TIP3 OH2 OT -0.834000 15.9994 0 23425 WAT 2646 TIP3 H1 HT 0.417000 1.0080 0 23426 WAT 2646 TIP3 H2 HT 0.417000 1.0080 0 23427 WAT 2647 TIP3 OH2 OT -0.834000 15.9994 0 23428 WAT 2647 TIP3 H1 HT 0.417000 1.0080 0 23429 WAT 2647 TIP3 H2 HT 0.417000 1.0080 0 23430 WAT 2648 TIP3 OH2 OT -0.834000 15.9994 0 23431 WAT 2648 TIP3 H1 HT 0.417000 1.0080 0 23432 WAT 2648 TIP3 H2 HT 0.417000 1.0080 0 23433 WAT 2649 TIP3 OH2 OT -0.834000 15.9994 0 23434 WAT 2649 TIP3 H1 HT 0.417000 1.0080 0 23435 WAT 2649 TIP3 H2 HT 0.417000 1.0080 0 23436 WAT 2650 TIP3 OH2 OT -0.834000 15.9994 0 23437 WAT 2650 TIP3 H1 HT 0.417000 1.0080 0 23438 WAT 2650 TIP3 H2 HT 0.417000 1.0080 0 23439 WAT 2651 TIP3 OH2 OT -0.834000 15.9994 0 23440 WAT 2651 TIP3 H1 HT 0.417000 1.0080 0 23441 WAT 2651 TIP3 H2 HT 0.417000 1.0080 0 23442 WAT 2652 TIP3 OH2 OT -0.834000 15.9994 0 23443 WAT 2652 TIP3 H1 HT 0.417000 1.0080 0 23444 WAT 2652 TIP3 H2 HT 0.417000 1.0080 0 23445 WAT 2653 TIP3 OH2 OT -0.834000 15.9994 0 23446 WAT 2653 TIP3 H1 HT 0.417000 1.0080 0 23447 WAT 2653 TIP3 H2 HT 0.417000 1.0080 0 23448 WAT 2654 TIP3 OH2 OT -0.834000 15.9994 0 23449 WAT 2654 TIP3 H1 HT 0.417000 1.0080 0 23450 WAT 2654 TIP3 H2 HT 0.417000 1.0080 0 23451 WAT 2655 TIP3 OH2 OT -0.834000 15.9994 0 23452 WAT 2655 TIP3 H1 HT 0.417000 1.0080 0 23453 WAT 2655 TIP3 H2 HT 0.417000 1.0080 0 23454 WAT 2656 TIP3 OH2 OT -0.834000 15.9994 0 23455 WAT 2656 TIP3 H1 HT 0.417000 1.0080 0 23456 WAT 2656 TIP3 H2 HT 0.417000 1.0080 0 23457 WAT 2657 TIP3 OH2 OT -0.834000 15.9994 0 23458 WAT 2657 TIP3 H1 HT 0.417000 1.0080 0 23459 WAT 2657 TIP3 H2 HT 0.417000 1.0080 0 23460 WAT 2658 TIP3 OH2 OT -0.834000 15.9994 0 23461 WAT 2658 TIP3 H1 HT 0.417000 1.0080 0 23462 WAT 2658 TIP3 H2 HT 0.417000 1.0080 0 23463 WAT 2659 TIP3 OH2 OT -0.834000 15.9994 0 23464 WAT 2659 TIP3 H1 HT 0.417000 1.0080 0 23465 WAT 2659 TIP3 H2 HT 0.417000 1.0080 0 23466 WAT 2660 TIP3 OH2 OT -0.834000 15.9994 0 23467 WAT 2660 TIP3 H1 HT 0.417000 1.0080 0 23468 WAT 2660 TIP3 H2 HT 0.417000 1.0080 0 23469 WAT 2661 TIP3 OH2 OT -0.834000 15.9994 0 23470 WAT 2661 TIP3 H1 HT 0.417000 1.0080 0 23471 WAT 2661 TIP3 H2 HT 0.417000 1.0080 0 23472 WAT 2662 TIP3 OH2 OT -0.834000 15.9994 0 23473 WAT 2662 TIP3 H1 HT 0.417000 1.0080 0 23474 WAT 2662 TIP3 H2 HT 0.417000 1.0080 0 23475 WAT 2663 TIP3 OH2 OT -0.834000 15.9994 0 23476 WAT 2663 TIP3 H1 HT 0.417000 1.0080 0 23477 WAT 2663 TIP3 H2 HT 0.417000 1.0080 0 23478 WAT 2664 TIP3 OH2 OT -0.834000 15.9994 0 23479 WAT 2664 TIP3 H1 HT 0.417000 1.0080 0 23480 WAT 2664 TIP3 H2 HT 0.417000 1.0080 0 23481 WAT 2665 TIP3 OH2 OT -0.834000 15.9994 0 23482 WAT 2665 TIP3 H1 HT 0.417000 1.0080 0 23483 WAT 2665 TIP3 H2 HT 0.417000 1.0080 0 23484 WAT 2666 TIP3 OH2 OT -0.834000 15.9994 0 23485 WAT 2666 TIP3 H1 HT 0.417000 1.0080 0 23486 WAT 2666 TIP3 H2 HT 0.417000 1.0080 0 23487 WAT 2667 TIP3 OH2 OT -0.834000 15.9994 0 23488 WAT 2667 TIP3 H1 HT 0.417000 1.0080 0 23489 WAT 2667 TIP3 H2 HT 0.417000 1.0080 0 23490 WAT 2668 TIP3 OH2 OT -0.834000 15.9994 0 23491 WAT 2668 TIP3 H1 HT 0.417000 1.0080 0 23492 WAT 2668 TIP3 H2 HT 0.417000 1.0080 0 23493 WAT 2669 TIP3 OH2 OT -0.834000 15.9994 0 23494 WAT 2669 TIP3 H1 HT 0.417000 1.0080 0 23495 WAT 2669 TIP3 H2 HT 0.417000 1.0080 0 23496 WAT 2670 TIP3 OH2 OT -0.834000 15.9994 0 23497 WAT 2670 TIP3 H1 HT 0.417000 1.0080 0 23498 WAT 2670 TIP3 H2 HT 0.417000 1.0080 0 23499 WAT 2671 TIP3 OH2 OT -0.834000 15.9994 0 23500 WAT 2671 TIP3 H1 HT 0.417000 1.0080 0 23501 WAT 2671 TIP3 H2 HT 0.417000 1.0080 0 23502 WAT 2672 TIP3 OH2 OT -0.834000 15.9994 0 23503 WAT 2672 TIP3 H1 HT 0.417000 1.0080 0 23504 WAT 2672 TIP3 H2 HT 0.417000 1.0080 0 23505 WAT 2673 TIP3 OH2 OT -0.834000 15.9994 0 23506 WAT 2673 TIP3 H1 HT 0.417000 1.0080 0 23507 WAT 2673 TIP3 H2 HT 0.417000 1.0080 0 23508 WAT 2674 TIP3 OH2 OT -0.834000 15.9994 0 23509 WAT 2674 TIP3 H1 HT 0.417000 1.0080 0 23510 WAT 2674 TIP3 H2 HT 0.417000 1.0080 0 23511 WAT 2675 TIP3 OH2 OT -0.834000 15.9994 0 23512 WAT 2675 TIP3 H1 HT 0.417000 1.0080 0 23513 WAT 2675 TIP3 H2 HT 0.417000 1.0080 0 23514 WAT 2676 TIP3 OH2 OT -0.834000 15.9994 0 23515 WAT 2676 TIP3 H1 HT 0.417000 1.0080 0 23516 WAT 2676 TIP3 H2 HT 0.417000 1.0080 0 23517 WAT 2677 TIP3 OH2 OT -0.834000 15.9994 0 23518 WAT 2677 TIP3 H1 HT 0.417000 1.0080 0 23519 WAT 2677 TIP3 H2 HT 0.417000 1.0080 0 23520 WAT 2678 TIP3 OH2 OT -0.834000 15.9994 0 23521 WAT 2678 TIP3 H1 HT 0.417000 1.0080 0 23522 WAT 2678 TIP3 H2 HT 0.417000 1.0080 0 23523 WAT 2679 TIP3 OH2 OT -0.834000 15.9994 0 23524 WAT 2679 TIP3 H1 HT 0.417000 1.0080 0 23525 WAT 2679 TIP3 H2 HT 0.417000 1.0080 0 23526 WAT 2680 TIP3 OH2 OT -0.834000 15.9994 0 23527 WAT 2680 TIP3 H1 HT 0.417000 1.0080 0 23528 WAT 2680 TIP3 H2 HT 0.417000 1.0080 0 23529 WAT 2681 TIP3 OH2 OT -0.834000 15.9994 0 23530 WAT 2681 TIP3 H1 HT 0.417000 1.0080 0 23531 WAT 2681 TIP3 H2 HT 0.417000 1.0080 0 23532 WAT 2682 TIP3 OH2 OT -0.834000 15.9994 0 23533 WAT 2682 TIP3 H1 HT 0.417000 1.0080 0 23534 WAT 2682 TIP3 H2 HT 0.417000 1.0080 0 23535 WAT 2683 TIP3 OH2 OT -0.834000 15.9994 0 23536 WAT 2683 TIP3 H1 HT 0.417000 1.0080 0 23537 WAT 2683 TIP3 H2 HT 0.417000 1.0080 0 23538 WAT 2684 TIP3 OH2 OT -0.834000 15.9994 0 23539 WAT 2684 TIP3 H1 HT 0.417000 1.0080 0 23540 WAT 2684 TIP3 H2 HT 0.417000 1.0080 0 23541 WAT 2685 TIP3 OH2 OT -0.834000 15.9994 0 23542 WAT 2685 TIP3 H1 HT 0.417000 1.0080 0 23543 WAT 2685 TIP3 H2 HT 0.417000 1.0080 0 23544 WAT 2686 TIP3 OH2 OT -0.834000 15.9994 0 23545 WAT 2686 TIP3 H1 HT 0.417000 1.0080 0 23546 WAT 2686 TIP3 H2 HT 0.417000 1.0080 0 23547 WAT 2687 TIP3 OH2 OT -0.834000 15.9994 0 23548 WAT 2687 TIP3 H1 HT 0.417000 1.0080 0 23549 WAT 2687 TIP3 H2 HT 0.417000 1.0080 0 23550 WAT 2688 TIP3 OH2 OT -0.834000 15.9994 0 23551 WAT 2688 TIP3 H1 HT 0.417000 1.0080 0 23552 WAT 2688 TIP3 H2 HT 0.417000 1.0080 0 23553 WAT 2689 TIP3 OH2 OT -0.834000 15.9994 0 23554 WAT 2689 TIP3 H1 HT 0.417000 1.0080 0 23555 WAT 2689 TIP3 H2 HT 0.417000 1.0080 0 23556 WAT 2690 TIP3 OH2 OT -0.834000 15.9994 0 23557 WAT 2690 TIP3 H1 HT 0.417000 1.0080 0 23558 WAT 2690 TIP3 H2 HT 0.417000 1.0080 0 23559 WAT 2691 TIP3 OH2 OT -0.834000 15.9994 0 23560 WAT 2691 TIP3 H1 HT 0.417000 1.0080 0 23561 WAT 2691 TIP3 H2 HT 0.417000 1.0080 0 23562 WAT 2692 TIP3 OH2 OT -0.834000 15.9994 0 23563 WAT 2692 TIP3 H1 HT 0.417000 1.0080 0 23564 WAT 2692 TIP3 H2 HT 0.417000 1.0080 0 23565 WAT 2693 TIP3 OH2 OT -0.834000 15.9994 0 23566 WAT 2693 TIP3 H1 HT 0.417000 1.0080 0 23567 WAT 2693 TIP3 H2 HT 0.417000 1.0080 0 23568 WAT 2694 TIP3 OH2 OT -0.834000 15.9994 0 23569 WAT 2694 TIP3 H1 HT 0.417000 1.0080 0 23570 WAT 2694 TIP3 H2 HT 0.417000 1.0080 0 23571 WAT 2695 TIP3 OH2 OT -0.834000 15.9994 0 23572 WAT 2695 TIP3 H1 HT 0.417000 1.0080 0 23573 WAT 2695 TIP3 H2 HT 0.417000 1.0080 0 23574 WAT 2696 TIP3 OH2 OT -0.834000 15.9994 0 23575 WAT 2696 TIP3 H1 HT 0.417000 1.0080 0 23576 WAT 2696 TIP3 H2 HT 0.417000 1.0080 0 23577 WAT 2697 TIP3 OH2 OT -0.834000 15.9994 0 23578 WAT 2697 TIP3 H1 HT 0.417000 1.0080 0 23579 WAT 2697 TIP3 H2 HT 0.417000 1.0080 0 23580 WAT 2698 TIP3 OH2 OT -0.834000 15.9994 0 23581 WAT 2698 TIP3 H1 HT 0.417000 1.0080 0 23582 WAT 2698 TIP3 H2 HT 0.417000 1.0080 0 23583 WAT 2699 TIP3 OH2 OT -0.834000 15.9994 0 23584 WAT 2699 TIP3 H1 HT 0.417000 1.0080 0 23585 WAT 2699 TIP3 H2 HT 0.417000 1.0080 0 23586 WAT 2700 TIP3 OH2 OT -0.834000 15.9994 0 23587 WAT 2700 TIP3 H1 HT 0.417000 1.0080 0 23588 WAT 2700 TIP3 H2 HT 0.417000 1.0080 0 23589 WAT 2701 TIP3 OH2 OT -0.834000 15.9994 0 23590 WAT 2701 TIP3 H1 HT 0.417000 1.0080 0 23591 WAT 2701 TIP3 H2 HT 0.417000 1.0080 0 23592 WAT 2702 TIP3 OH2 OT -0.834000 15.9994 0 23593 WAT 2702 TIP3 H1 HT 0.417000 1.0080 0 23594 WAT 2702 TIP3 H2 HT 0.417000 1.0080 0 23595 WAT 2703 TIP3 OH2 OT -0.834000 15.9994 0 23596 WAT 2703 TIP3 H1 HT 0.417000 1.0080 0 23597 WAT 2703 TIP3 H2 HT 0.417000 1.0080 0 23598 WAT 2704 TIP3 OH2 OT -0.834000 15.9994 0 23599 WAT 2704 TIP3 H1 HT 0.417000 1.0080 0 23600 WAT 2704 TIP3 H2 HT 0.417000 1.0080 0 23601 WAT 2705 TIP3 OH2 OT -0.834000 15.9994 0 23602 WAT 2705 TIP3 H1 HT 0.417000 1.0080 0 23603 WAT 2705 TIP3 H2 HT 0.417000 1.0080 0 23604 WAT 2706 TIP3 OH2 OT -0.834000 15.9994 0 23605 WAT 2706 TIP3 H1 HT 0.417000 1.0080 0 23606 WAT 2706 TIP3 H2 HT 0.417000 1.0080 0 23607 WAT 2707 TIP3 OH2 OT -0.834000 15.9994 0 23608 WAT 2707 TIP3 H1 HT 0.417000 1.0080 0 23609 WAT 2707 TIP3 H2 HT 0.417000 1.0080 0 23610 WAT 2708 TIP3 OH2 OT -0.834000 15.9994 0 23611 WAT 2708 TIP3 H1 HT 0.417000 1.0080 0 23612 WAT 2708 TIP3 H2 HT 0.417000 1.0080 0 23613 WAT 2709 TIP3 OH2 OT -0.834000 15.9994 0 23614 WAT 2709 TIP3 H1 HT 0.417000 1.0080 0 23615 WAT 2709 TIP3 H2 HT 0.417000 1.0080 0 23616 WAT 2710 TIP3 OH2 OT -0.834000 15.9994 0 23617 WAT 2710 TIP3 H1 HT 0.417000 1.0080 0 23618 WAT 2710 TIP3 H2 HT 0.417000 1.0080 0 23619 WAT 2711 TIP3 OH2 OT -0.834000 15.9994 0 23620 WAT 2711 TIP3 H1 HT 0.417000 1.0080 0 23621 WAT 2711 TIP3 H2 HT 0.417000 1.0080 0 23622 WAT 2712 TIP3 OH2 OT -0.834000 15.9994 0 23623 WAT 2712 TIP3 H1 HT 0.417000 1.0080 0 23624 WAT 2712 TIP3 H2 HT 0.417000 1.0080 0 23625 WAT 2713 TIP3 OH2 OT -0.834000 15.9994 0 23626 WAT 2713 TIP3 H1 HT 0.417000 1.0080 0 23627 WAT 2713 TIP3 H2 HT 0.417000 1.0080 0 23628 WAT 2714 TIP3 OH2 OT -0.834000 15.9994 0 23629 WAT 2714 TIP3 H1 HT 0.417000 1.0080 0 23630 WAT 2714 TIP3 H2 HT 0.417000 1.0080 0 23631 WAT 2715 TIP3 OH2 OT -0.834000 15.9994 0 23632 WAT 2715 TIP3 H1 HT 0.417000 1.0080 0 23633 WAT 2715 TIP3 H2 HT 0.417000 1.0080 0 23634 WAT 2716 TIP3 OH2 OT -0.834000 15.9994 0 23635 WAT 2716 TIP3 H1 HT 0.417000 1.0080 0 23636 WAT 2716 TIP3 H2 HT 0.417000 1.0080 0 23637 WAT 2717 TIP3 OH2 OT -0.834000 15.9994 0 23638 WAT 2717 TIP3 H1 HT 0.417000 1.0080 0 23639 WAT 2717 TIP3 H2 HT 0.417000 1.0080 0 23640 WAT 2718 TIP3 OH2 OT -0.834000 15.9994 0 23641 WAT 2718 TIP3 H1 HT 0.417000 1.0080 0 23642 WAT 2718 TIP3 H2 HT 0.417000 1.0080 0 23643 WAT 2719 TIP3 OH2 OT -0.834000 15.9994 0 23644 WAT 2719 TIP3 H1 HT 0.417000 1.0080 0 23645 WAT 2719 TIP3 H2 HT 0.417000 1.0080 0 23646 WAT 2720 TIP3 OH2 OT -0.834000 15.9994 0 23647 WAT 2720 TIP3 H1 HT 0.417000 1.0080 0 23648 WAT 2720 TIP3 H2 HT 0.417000 1.0080 0 23649 WAT 2721 TIP3 OH2 OT -0.834000 15.9994 0 23650 WAT 2721 TIP3 H1 HT 0.417000 1.0080 0 23651 WAT 2721 TIP3 H2 HT 0.417000 1.0080 0 23652 WAT 2722 TIP3 OH2 OT -0.834000 15.9994 0 23653 WAT 2722 TIP3 H1 HT 0.417000 1.0080 0 23654 WAT 2722 TIP3 H2 HT 0.417000 1.0080 0 23655 WAT 2723 TIP3 OH2 OT -0.834000 15.9994 0 23656 WAT 2723 TIP3 H1 HT 0.417000 1.0080 0 23657 WAT 2723 TIP3 H2 HT 0.417000 1.0080 0 23658 WAT 2724 TIP3 OH2 OT -0.834000 15.9994 0 23659 WAT 2724 TIP3 H1 HT 0.417000 1.0080 0 23660 WAT 2724 TIP3 H2 HT 0.417000 1.0080 0 23661 WAT 2725 TIP3 OH2 OT -0.834000 15.9994 0 23662 WAT 2725 TIP3 H1 HT 0.417000 1.0080 0 23663 WAT 2725 TIP3 H2 HT 0.417000 1.0080 0 23664 WAT 2726 TIP3 OH2 OT -0.834000 15.9994 0 23665 WAT 2726 TIP3 H1 HT 0.417000 1.0080 0 23666 WAT 2726 TIP3 H2 HT 0.417000 1.0080 0 23667 WAT 2727 TIP3 OH2 OT -0.834000 15.9994 0 23668 WAT 2727 TIP3 H1 HT 0.417000 1.0080 0 23669 WAT 2727 TIP3 H2 HT 0.417000 1.0080 0 23670 WAT 2728 TIP3 OH2 OT -0.834000 15.9994 0 23671 WAT 2728 TIP3 H1 HT 0.417000 1.0080 0 23672 WAT 2728 TIP3 H2 HT 0.417000 1.0080 0 23673 WAT 2729 TIP3 OH2 OT -0.834000 15.9994 0 23674 WAT 2729 TIP3 H1 HT 0.417000 1.0080 0 23675 WAT 2729 TIP3 H2 HT 0.417000 1.0080 0 23676 WAT 2730 TIP3 OH2 OT -0.834000 15.9994 0 23677 WAT 2730 TIP3 H1 HT 0.417000 1.0080 0 23678 WAT 2730 TIP3 H2 HT 0.417000 1.0080 0 23679 WAT 2731 TIP3 OH2 OT -0.834000 15.9994 0 23680 WAT 2731 TIP3 H1 HT 0.417000 1.0080 0 23681 WAT 2731 TIP3 H2 HT 0.417000 1.0080 0 23682 WAT 2732 TIP3 OH2 OT -0.834000 15.9994 0 23683 WAT 2732 TIP3 H1 HT 0.417000 1.0080 0 23684 WAT 2732 TIP3 H2 HT 0.417000 1.0080 0 23685 WAT 2733 TIP3 OH2 OT -0.834000 15.9994 0 23686 WAT 2733 TIP3 H1 HT 0.417000 1.0080 0 23687 WAT 2733 TIP3 H2 HT 0.417000 1.0080 0 23688 WAT 2734 TIP3 OH2 OT -0.834000 15.9994 0 23689 WAT 2734 TIP3 H1 HT 0.417000 1.0080 0 23690 WAT 2734 TIP3 H2 HT 0.417000 1.0080 0 23691 WAT 2735 TIP3 OH2 OT -0.834000 15.9994 0 23692 WAT 2735 TIP3 H1 HT 0.417000 1.0080 0 23693 WAT 2735 TIP3 H2 HT 0.417000 1.0080 0 23694 WAT 2736 TIP3 OH2 OT -0.834000 15.9994 0 23695 WAT 2736 TIP3 H1 HT 0.417000 1.0080 0 23696 WAT 2736 TIP3 H2 HT 0.417000 1.0080 0 23697 WAT 2737 TIP3 OH2 OT -0.834000 15.9994 0 23698 WAT 2737 TIP3 H1 HT 0.417000 1.0080 0 23699 WAT 2737 TIP3 H2 HT 0.417000 1.0080 0 23700 WAT 2738 TIP3 OH2 OT -0.834000 15.9994 0 23701 WAT 2738 TIP3 H1 HT 0.417000 1.0080 0 23702 WAT 2738 TIP3 H2 HT 0.417000 1.0080 0 23703 WAT 2739 TIP3 OH2 OT -0.834000 15.9994 0 23704 WAT 2739 TIP3 H1 HT 0.417000 1.0080 0 23705 WAT 2739 TIP3 H2 HT 0.417000 1.0080 0 23706 WAT 2740 TIP3 OH2 OT -0.834000 15.9994 0 23707 WAT 2740 TIP3 H1 HT 0.417000 1.0080 0 23708 WAT 2740 TIP3 H2 HT 0.417000 1.0080 0 23709 WAT 2741 TIP3 OH2 OT -0.834000 15.9994 0 23710 WAT 2741 TIP3 H1 HT 0.417000 1.0080 0 23711 WAT 2741 TIP3 H2 HT 0.417000 1.0080 0 23712 WAT 2742 TIP3 OH2 OT -0.834000 15.9994 0 23713 WAT 2742 TIP3 H1 HT 0.417000 1.0080 0 23714 WAT 2742 TIP3 H2 HT 0.417000 1.0080 0 23715 WAT 2743 TIP3 OH2 OT -0.834000 15.9994 0 23716 WAT 2743 TIP3 H1 HT 0.417000 1.0080 0 23717 WAT 2743 TIP3 H2 HT 0.417000 1.0080 0 23718 WAT 2744 TIP3 OH2 OT -0.834000 15.9994 0 23719 WAT 2744 TIP3 H1 HT 0.417000 1.0080 0 23720 WAT 2744 TIP3 H2 HT 0.417000 1.0080 0 23721 WAT 2745 TIP3 OH2 OT -0.834000 15.9994 0 23722 WAT 2745 TIP3 H1 HT 0.417000 1.0080 0 23723 WAT 2745 TIP3 H2 HT 0.417000 1.0080 0 23724 WAT 2746 TIP3 OH2 OT -0.834000 15.9994 0 23725 WAT 2746 TIP3 H1 HT 0.417000 1.0080 0 23726 WAT 2746 TIP3 H2 HT 0.417000 1.0080 0 23727 WAT 2747 TIP3 OH2 OT -0.834000 15.9994 0 23728 WAT 2747 TIP3 H1 HT 0.417000 1.0080 0 23729 WAT 2747 TIP3 H2 HT 0.417000 1.0080 0 23730 WAT 2748 TIP3 OH2 OT -0.834000 15.9994 0 23731 WAT 2748 TIP3 H1 HT 0.417000 1.0080 0 23732 WAT 2748 TIP3 H2 HT 0.417000 1.0080 0 23733 WAT 2749 TIP3 OH2 OT -0.834000 15.9994 0 23734 WAT 2749 TIP3 H1 HT 0.417000 1.0080 0 23735 WAT 2749 TIP3 H2 HT 0.417000 1.0080 0 23736 WAT 2750 TIP3 OH2 OT -0.834000 15.9994 0 23737 WAT 2750 TIP3 H1 HT 0.417000 1.0080 0 23738 WAT 2750 TIP3 H2 HT 0.417000 1.0080 0 23739 WAT 2751 TIP3 OH2 OT -0.834000 15.9994 0 23740 WAT 2751 TIP3 H1 HT 0.417000 1.0080 0 23741 WAT 2751 TIP3 H2 HT 0.417000 1.0080 0 23742 WAT 2752 TIP3 OH2 OT -0.834000 15.9994 0 23743 WAT 2752 TIP3 H1 HT 0.417000 1.0080 0 23744 WAT 2752 TIP3 H2 HT 0.417000 1.0080 0 23745 WAT 2753 TIP3 OH2 OT -0.834000 15.9994 0 23746 WAT 2753 TIP3 H1 HT 0.417000 1.0080 0 23747 WAT 2753 TIP3 H2 HT 0.417000 1.0080 0 23748 WAT 2754 TIP3 OH2 OT -0.834000 15.9994 0 23749 WAT 2754 TIP3 H1 HT 0.417000 1.0080 0 23750 WAT 2754 TIP3 H2 HT 0.417000 1.0080 0 23751 WAT 2755 TIP3 OH2 OT -0.834000 15.9994 0 23752 WAT 2755 TIP3 H1 HT 0.417000 1.0080 0 23753 WAT 2755 TIP3 H2 HT 0.417000 1.0080 0 23754 WAT 2756 TIP3 OH2 OT -0.834000 15.9994 0 23755 WAT 2756 TIP3 H1 HT 0.417000 1.0080 0 23756 WAT 2756 TIP3 H2 HT 0.417000 1.0080 0 23757 WAT 2757 TIP3 OH2 OT -0.834000 15.9994 0 23758 WAT 2757 TIP3 H1 HT 0.417000 1.0080 0 23759 WAT 2757 TIP3 H2 HT 0.417000 1.0080 0 23760 WAT 2758 TIP3 OH2 OT -0.834000 15.9994 0 23761 WAT 2758 TIP3 H1 HT 0.417000 1.0080 0 23762 WAT 2758 TIP3 H2 HT 0.417000 1.0080 0 23763 WAT 2759 TIP3 OH2 OT -0.834000 15.9994 0 23764 WAT 2759 TIP3 H1 HT 0.417000 1.0080 0 23765 WAT 2759 TIP3 H2 HT 0.417000 1.0080 0 23766 WAT 2760 TIP3 OH2 OT -0.834000 15.9994 0 23767 WAT 2760 TIP3 H1 HT 0.417000 1.0080 0 23768 WAT 2760 TIP3 H2 HT 0.417000 1.0080 0 23769 WAT 2761 TIP3 OH2 OT -0.834000 15.9994 0 23770 WAT 2761 TIP3 H1 HT 0.417000 1.0080 0 23771 WAT 2761 TIP3 H2 HT 0.417000 1.0080 0 23772 WAT 2762 TIP3 OH2 OT -0.834000 15.9994 0 23773 WAT 2762 TIP3 H1 HT 0.417000 1.0080 0 23774 WAT 2762 TIP3 H2 HT 0.417000 1.0080 0 23775 WAT 2763 TIP3 OH2 OT -0.834000 15.9994 0 23776 WAT 2763 TIP3 H1 HT 0.417000 1.0080 0 23777 WAT 2763 TIP3 H2 HT 0.417000 1.0080 0 23778 WAT 2764 TIP3 OH2 OT -0.834000 15.9994 0 23779 WAT 2764 TIP3 H1 HT 0.417000 1.0080 0 23780 WAT 2764 TIP3 H2 HT 0.417000 1.0080 0 23781 WAT 2765 TIP3 OH2 OT -0.834000 15.9994 0 23782 WAT 2765 TIP3 H1 HT 0.417000 1.0080 0 23783 WAT 2765 TIP3 H2 HT 0.417000 1.0080 0 23784 WAT 2766 TIP3 OH2 OT -0.834000 15.9994 0 23785 WAT 2766 TIP3 H1 HT 0.417000 1.0080 0 23786 WAT 2766 TIP3 H2 HT 0.417000 1.0080 0 23787 WAT 2767 TIP3 OH2 OT -0.834000 15.9994 0 23788 WAT 2767 TIP3 H1 HT 0.417000 1.0080 0 23789 WAT 2767 TIP3 H2 HT 0.417000 1.0080 0 23790 WAT 2768 TIP3 OH2 OT -0.834000 15.9994 0 23791 WAT 2768 TIP3 H1 HT 0.417000 1.0080 0 23792 WAT 2768 TIP3 H2 HT 0.417000 1.0080 0 23793 WAT 2769 TIP3 OH2 OT -0.834000 15.9994 0 23794 WAT 2769 TIP3 H1 HT 0.417000 1.0080 0 23795 WAT 2769 TIP3 H2 HT 0.417000 1.0080 0 23796 WAT 2770 TIP3 OH2 OT -0.834000 15.9994 0 23797 WAT 2770 TIP3 H1 HT 0.417000 1.0080 0 23798 WAT 2770 TIP3 H2 HT 0.417000 1.0080 0 23799 WAT 2771 TIP3 OH2 OT -0.834000 15.9994 0 23800 WAT 2771 TIP3 H1 HT 0.417000 1.0080 0 23801 WAT 2771 TIP3 H2 HT 0.417000 1.0080 0 23802 WAT 2772 TIP3 OH2 OT -0.834000 15.9994 0 23803 WAT 2772 TIP3 H1 HT 0.417000 1.0080 0 23804 WAT 2772 TIP3 H2 HT 0.417000 1.0080 0 23805 WAT 2773 TIP3 OH2 OT -0.834000 15.9994 0 23806 WAT 2773 TIP3 H1 HT 0.417000 1.0080 0 23807 WAT 2773 TIP3 H2 HT 0.417000 1.0080 0 23808 WAT 2774 TIP3 OH2 OT -0.834000 15.9994 0 23809 WAT 2774 TIP3 H1 HT 0.417000 1.0080 0 23810 WAT 2774 TIP3 H2 HT 0.417000 1.0080 0 23811 WAT 2775 TIP3 OH2 OT -0.834000 15.9994 0 23812 WAT 2775 TIP3 H1 HT 0.417000 1.0080 0 23813 WAT 2775 TIP3 H2 HT 0.417000 1.0080 0 23814 WAT 2776 TIP3 OH2 OT -0.834000 15.9994 0 23815 WAT 2776 TIP3 H1 HT 0.417000 1.0080 0 23816 WAT 2776 TIP3 H2 HT 0.417000 1.0080 0 23817 WAT 2777 TIP3 OH2 OT -0.834000 15.9994 0 23818 WAT 2777 TIP3 H1 HT 0.417000 1.0080 0 23819 WAT 2777 TIP3 H2 HT 0.417000 1.0080 0 23820 WAT 2778 TIP3 OH2 OT -0.834000 15.9994 0 23821 WAT 2778 TIP3 H1 HT 0.417000 1.0080 0 23822 WAT 2778 TIP3 H2 HT 0.417000 1.0080 0 23823 WAT 2779 TIP3 OH2 OT -0.834000 15.9994 0 23824 WAT 2779 TIP3 H1 HT 0.417000 1.0080 0 23825 WAT 2779 TIP3 H2 HT 0.417000 1.0080 0 23826 WAT 2780 TIP3 OH2 OT -0.834000 15.9994 0 23827 WAT 2780 TIP3 H1 HT 0.417000 1.0080 0 23828 WAT 2780 TIP3 H2 HT 0.417000 1.0080 0 23829 WAT 2781 TIP3 OH2 OT -0.834000 15.9994 0 23830 WAT 2781 TIP3 H1 HT 0.417000 1.0080 0 23831 WAT 2781 TIP3 H2 HT 0.417000 1.0080 0 23832 WAT 2782 TIP3 OH2 OT -0.834000 15.9994 0 23833 WAT 2782 TIP3 H1 HT 0.417000 1.0080 0 23834 WAT 2782 TIP3 H2 HT 0.417000 1.0080 0 23835 WAT 2783 TIP3 OH2 OT -0.834000 15.9994 0 23836 WAT 2783 TIP3 H1 HT 0.417000 1.0080 0 23837 WAT 2783 TIP3 H2 HT 0.417000 1.0080 0 23838 WAT 2784 TIP3 OH2 OT -0.834000 15.9994 0 23839 WAT 2784 TIP3 H1 HT 0.417000 1.0080 0 23840 WAT 2784 TIP3 H2 HT 0.417000 1.0080 0 23841 WAT 2785 TIP3 OH2 OT -0.834000 15.9994 0 23842 WAT 2785 TIP3 H1 HT 0.417000 1.0080 0 23843 WAT 2785 TIP3 H2 HT 0.417000 1.0080 0 23844 WAT 2786 TIP3 OH2 OT -0.834000 15.9994 0 23845 WAT 2786 TIP3 H1 HT 0.417000 1.0080 0 23846 WAT 2786 TIP3 H2 HT 0.417000 1.0080 0 23847 WAT 2787 TIP3 OH2 OT -0.834000 15.9994 0 23848 WAT 2787 TIP3 H1 HT 0.417000 1.0080 0 23849 WAT 2787 TIP3 H2 HT 0.417000 1.0080 0 23850 WAT 2788 TIP3 OH2 OT -0.834000 15.9994 0 23851 WAT 2788 TIP3 H1 HT 0.417000 1.0080 0 23852 WAT 2788 TIP3 H2 HT 0.417000 1.0080 0 23853 WAT 2789 TIP3 OH2 OT -0.834000 15.9994 0 23854 WAT 2789 TIP3 H1 HT 0.417000 1.0080 0 23855 WAT 2789 TIP3 H2 HT 0.417000 1.0080 0 23856 WAT 2790 TIP3 OH2 OT -0.834000 15.9994 0 23857 WAT 2790 TIP3 H1 HT 0.417000 1.0080 0 23858 WAT 2790 TIP3 H2 HT 0.417000 1.0080 0 23859 WAT 2791 TIP3 OH2 OT -0.834000 15.9994 0 23860 WAT 2791 TIP3 H1 HT 0.417000 1.0080 0 23861 WAT 2791 TIP3 H2 HT 0.417000 1.0080 0 23862 WAT 2792 TIP3 OH2 OT -0.834000 15.9994 0 23863 WAT 2792 TIP3 H1 HT 0.417000 1.0080 0 23864 WAT 2792 TIP3 H2 HT 0.417000 1.0080 0 23865 WAT 2793 TIP3 OH2 OT -0.834000 15.9994 0 23866 WAT 2793 TIP3 H1 HT 0.417000 1.0080 0 23867 WAT 2793 TIP3 H2 HT 0.417000 1.0080 0 23868 WAT 2794 TIP3 OH2 OT -0.834000 15.9994 0 23869 WAT 2794 TIP3 H1 HT 0.417000 1.0080 0 23870 WAT 2794 TIP3 H2 HT 0.417000 1.0080 0 23871 WAT 2795 TIP3 OH2 OT -0.834000 15.9994 0 23872 WAT 2795 TIP3 H1 HT 0.417000 1.0080 0 23873 WAT 2795 TIP3 H2 HT 0.417000 1.0080 0 23874 WAT 2796 TIP3 OH2 OT -0.834000 15.9994 0 23875 WAT 2796 TIP3 H1 HT 0.417000 1.0080 0 23876 WAT 2796 TIP3 H2 HT 0.417000 1.0080 0 23877 WAT 2797 TIP3 OH2 OT -0.834000 15.9994 0 23878 WAT 2797 TIP3 H1 HT 0.417000 1.0080 0 23879 WAT 2797 TIP3 H2 HT 0.417000 1.0080 0 23880 WAT 2798 TIP3 OH2 OT -0.834000 15.9994 0 23881 WAT 2798 TIP3 H1 HT 0.417000 1.0080 0 23882 WAT 2798 TIP3 H2 HT 0.417000 1.0080 0 23883 WAT 2799 TIP3 OH2 OT -0.834000 15.9994 0 23884 WAT 2799 TIP3 H1 HT 0.417000 1.0080 0 23885 WAT 2799 TIP3 H2 HT 0.417000 1.0080 0 23886 WAT 2800 TIP3 OH2 OT -0.834000 15.9994 0 23887 WAT 2800 TIP3 H1 HT 0.417000 1.0080 0 23888 WAT 2800 TIP3 H2 HT 0.417000 1.0080 0 23889 WAT 2801 TIP3 OH2 OT -0.834000 15.9994 0 23890 WAT 2801 TIP3 H1 HT 0.417000 1.0080 0 23891 WAT 2801 TIP3 H2 HT 0.417000 1.0080 0 23892 WAT 2802 TIP3 OH2 OT -0.834000 15.9994 0 23893 WAT 2802 TIP3 H1 HT 0.417000 1.0080 0 23894 WAT 2802 TIP3 H2 HT 0.417000 1.0080 0 23895 WAT 2803 TIP3 OH2 OT -0.834000 15.9994 0 23896 WAT 2803 TIP3 H1 HT 0.417000 1.0080 0 23897 WAT 2803 TIP3 H2 HT 0.417000 1.0080 0 23898 WAT 2804 TIP3 OH2 OT -0.834000 15.9994 0 23899 WAT 2804 TIP3 H1 HT 0.417000 1.0080 0 23900 WAT 2804 TIP3 H2 HT 0.417000 1.0080 0 23901 WAT 2805 TIP3 OH2 OT -0.834000 15.9994 0 23902 WAT 2805 TIP3 H1 HT 0.417000 1.0080 0 23903 WAT 2805 TIP3 H2 HT 0.417000 1.0080 0 23904 WAT 2806 TIP3 OH2 OT -0.834000 15.9994 0 23905 WAT 2806 TIP3 H1 HT 0.417000 1.0080 0 23906 WAT 2806 TIP3 H2 HT 0.417000 1.0080 0 23907 WAT 2807 TIP3 OH2 OT -0.834000 15.9994 0 23908 WAT 2807 TIP3 H1 HT 0.417000 1.0080 0 23909 WAT 2807 TIP3 H2 HT 0.417000 1.0080 0 23910 WAT 2808 TIP3 OH2 OT -0.834000 15.9994 0 23911 WAT 2808 TIP3 H1 HT 0.417000 1.0080 0 23912 WAT 2808 TIP3 H2 HT 0.417000 1.0080 0 23913 WAT 2809 TIP3 OH2 OT -0.834000 15.9994 0 23914 WAT 2809 TIP3 H1 HT 0.417000 1.0080 0 23915 WAT 2809 TIP3 H2 HT 0.417000 1.0080 0 23916 WAT 2810 TIP3 OH2 OT -0.834000 15.9994 0 23917 WAT 2810 TIP3 H1 HT 0.417000 1.0080 0 23918 WAT 2810 TIP3 H2 HT 0.417000 1.0080 0 23919 WAT 2811 TIP3 OH2 OT -0.834000 15.9994 0 23920 WAT 2811 TIP3 H1 HT 0.417000 1.0080 0 23921 WAT 2811 TIP3 H2 HT 0.417000 1.0080 0 23922 WAT 2812 TIP3 OH2 OT -0.834000 15.9994 0 23923 WAT 2812 TIP3 H1 HT 0.417000 1.0080 0 23924 WAT 2812 TIP3 H2 HT 0.417000 1.0080 0 23925 WAT 2813 TIP3 OH2 OT -0.834000 15.9994 0 23926 WAT 2813 TIP3 H1 HT 0.417000 1.0080 0 23927 WAT 2813 TIP3 H2 HT 0.417000 1.0080 0 23928 WAT 2814 TIP3 OH2 OT -0.834000 15.9994 0 23929 WAT 2814 TIP3 H1 HT 0.417000 1.0080 0 23930 WAT 2814 TIP3 H2 HT 0.417000 1.0080 0 23931 WAT 2815 TIP3 OH2 OT -0.834000 15.9994 0 23932 WAT 2815 TIP3 H1 HT 0.417000 1.0080 0 23933 WAT 2815 TIP3 H2 HT 0.417000 1.0080 0 23934 WAT 2816 TIP3 OH2 OT -0.834000 15.9994 0 23935 WAT 2816 TIP3 H1 HT 0.417000 1.0080 0 23936 WAT 2816 TIP3 H2 HT 0.417000 1.0080 0 23937 WAT 2817 TIP3 OH2 OT -0.834000 15.9994 0 23938 WAT 2817 TIP3 H1 HT 0.417000 1.0080 0 23939 WAT 2817 TIP3 H2 HT 0.417000 1.0080 0 23940 WAT 2818 TIP3 OH2 OT -0.834000 15.9994 0 23941 WAT 2818 TIP3 H1 HT 0.417000 1.0080 0 23942 WAT 2818 TIP3 H2 HT 0.417000 1.0080 0 23943 WAT 2819 TIP3 OH2 OT -0.834000 15.9994 0 23944 WAT 2819 TIP3 H1 HT 0.417000 1.0080 0 23945 WAT 2819 TIP3 H2 HT 0.417000 1.0080 0 23946 WAT 2820 TIP3 OH2 OT -0.834000 15.9994 0 23947 WAT 2820 TIP3 H1 HT 0.417000 1.0080 0 23948 WAT 2820 TIP3 H2 HT 0.417000 1.0080 0 23949 WAT 2821 TIP3 OH2 OT -0.834000 15.9994 0 23950 WAT 2821 TIP3 H1 HT 0.417000 1.0080 0 23951 WAT 2821 TIP3 H2 HT 0.417000 1.0080 0 23952 WAT 2822 TIP3 OH2 OT -0.834000 15.9994 0 23953 WAT 2822 TIP3 H1 HT 0.417000 1.0080 0 23954 WAT 2822 TIP3 H2 HT 0.417000 1.0080 0 23955 WAT 2823 TIP3 OH2 OT -0.834000 15.9994 0 23956 WAT 2823 TIP3 H1 HT 0.417000 1.0080 0 23957 WAT 2823 TIP3 H2 HT 0.417000 1.0080 0 23958 WAT 2824 TIP3 OH2 OT -0.834000 15.9994 0 23959 WAT 2824 TIP3 H1 HT 0.417000 1.0080 0 23960 WAT 2824 TIP3 H2 HT 0.417000 1.0080 0 23961 WAT 2825 TIP3 OH2 OT -0.834000 15.9994 0 23962 WAT 2825 TIP3 H1 HT 0.417000 1.0080 0 23963 WAT 2825 TIP3 H2 HT 0.417000 1.0080 0 23964 WAT 2826 TIP3 OH2 OT -0.834000 15.9994 0 23965 WAT 2826 TIP3 H1 HT 0.417000 1.0080 0 23966 WAT 2826 TIP3 H2 HT 0.417000 1.0080 0 23967 WAT 2827 TIP3 OH2 OT -0.834000 15.9994 0 23968 WAT 2827 TIP3 H1 HT 0.417000 1.0080 0 23969 WAT 2827 TIP3 H2 HT 0.417000 1.0080 0 23970 WAT 2828 TIP3 OH2 OT -0.834000 15.9994 0 23971 WAT 2828 TIP3 H1 HT 0.417000 1.0080 0 23972 WAT 2828 TIP3 H2 HT 0.417000 1.0080 0 23973 WAT 2829 TIP3 OH2 OT -0.834000 15.9994 0 23974 WAT 2829 TIP3 H1 HT 0.417000 1.0080 0 23975 WAT 2829 TIP3 H2 HT 0.417000 1.0080 0 23976 WAT 2830 TIP3 OH2 OT -0.834000 15.9994 0 23977 WAT 2830 TIP3 H1 HT 0.417000 1.0080 0 23978 WAT 2830 TIP3 H2 HT 0.417000 1.0080 0 23979 WAT 2831 TIP3 OH2 OT -0.834000 15.9994 0 23980 WAT 2831 TIP3 H1 HT 0.417000 1.0080 0 23981 WAT 2831 TIP3 H2 HT 0.417000 1.0080 0 23982 WAT 2832 TIP3 OH2 OT -0.834000 15.9994 0 23983 WAT 2832 TIP3 H1 HT 0.417000 1.0080 0 23984 WAT 2832 TIP3 H2 HT 0.417000 1.0080 0 23985 WAT 2833 TIP3 OH2 OT -0.834000 15.9994 0 23986 WAT 2833 TIP3 H1 HT 0.417000 1.0080 0 23987 WAT 2833 TIP3 H2 HT 0.417000 1.0080 0 23988 WAT 2834 TIP3 OH2 OT -0.834000 15.9994 0 23989 WAT 2834 TIP3 H1 HT 0.417000 1.0080 0 23990 WAT 2834 TIP3 H2 HT 0.417000 1.0080 0 23991 WAT 2835 TIP3 OH2 OT -0.834000 15.9994 0 23992 WAT 2835 TIP3 H1 HT 0.417000 1.0080 0 23993 WAT 2835 TIP3 H2 HT 0.417000 1.0080 0 23994 WAT 2836 TIP3 OH2 OT -0.834000 15.9994 0 23995 WAT 2836 TIP3 H1 HT 0.417000 1.0080 0 23996 WAT 2836 TIP3 H2 HT 0.417000 1.0080 0 23997 WAT 2837 TIP3 OH2 OT -0.834000 15.9994 0 23998 WAT 2837 TIP3 H1 HT 0.417000 1.0080 0 23999 WAT 2837 TIP3 H2 HT 0.417000 1.0080 0 24000 WAT 2838 TIP3 OH2 OT -0.834000 15.9994 0 24001 WAT 2838 TIP3 H1 HT 0.417000 1.0080 0 24002 WAT 2838 TIP3 H2 HT 0.417000 1.0080 0 24003 WAT 2839 TIP3 OH2 OT -0.834000 15.9994 0 24004 WAT 2839 TIP3 H1 HT 0.417000 1.0080 0 24005 WAT 2839 TIP3 H2 HT 0.417000 1.0080 0 24006 WAT 2840 TIP3 OH2 OT -0.834000 15.9994 0 24007 WAT 2840 TIP3 H1 HT 0.417000 1.0080 0 24008 WAT 2840 TIP3 H2 HT 0.417000 1.0080 0 24009 WAT 2841 TIP3 OH2 OT -0.834000 15.9994 0 24010 WAT 2841 TIP3 H1 HT 0.417000 1.0080 0 24011 WAT 2841 TIP3 H2 HT 0.417000 1.0080 0 24012 WAT 2842 TIP3 OH2 OT -0.834000 15.9994 0 24013 WAT 2842 TIP3 H1 HT 0.417000 1.0080 0 24014 WAT 2842 TIP3 H2 HT 0.417000 1.0080 0 24015 WAT 2843 TIP3 OH2 OT -0.834000 15.9994 0 24016 WAT 2843 TIP3 H1 HT 0.417000 1.0080 0 24017 WAT 2843 TIP3 H2 HT 0.417000 1.0080 0 24018 WAT 2844 TIP3 OH2 OT -0.834000 15.9994 0 24019 WAT 2844 TIP3 H1 HT 0.417000 1.0080 0 24020 WAT 2844 TIP3 H2 HT 0.417000 1.0080 0 24021 WAT 2845 TIP3 OH2 OT -0.834000 15.9994 0 24022 WAT 2845 TIP3 H1 HT 0.417000 1.0080 0 24023 WAT 2845 TIP3 H2 HT 0.417000 1.0080 0 24024 WAT 2846 TIP3 OH2 OT -0.834000 15.9994 0 24025 WAT 2846 TIP3 H1 HT 0.417000 1.0080 0 24026 WAT 2846 TIP3 H2 HT 0.417000 1.0080 0 24027 WAT 2847 TIP3 OH2 OT -0.834000 15.9994 0 24028 WAT 2847 TIP3 H1 HT 0.417000 1.0080 0 24029 WAT 2847 TIP3 H2 HT 0.417000 1.0080 0 24030 WAT 2848 TIP3 OH2 OT -0.834000 15.9994 0 24031 WAT 2848 TIP3 H1 HT 0.417000 1.0080 0 24032 WAT 2848 TIP3 H2 HT 0.417000 1.0080 0 24033 WAT 2849 TIP3 OH2 OT -0.834000 15.9994 0 24034 WAT 2849 TIP3 H1 HT 0.417000 1.0080 0 24035 WAT 2849 TIP3 H2 HT 0.417000 1.0080 0 24036 WAT 2850 TIP3 OH2 OT -0.834000 15.9994 0 24037 WAT 2850 TIP3 H1 HT 0.417000 1.0080 0 24038 WAT 2850 TIP3 H2 HT 0.417000 1.0080 0 24039 WAT 2851 TIP3 OH2 OT -0.834000 15.9994 0 24040 WAT 2851 TIP3 H1 HT 0.417000 1.0080 0 24041 WAT 2851 TIP3 H2 HT 0.417000 1.0080 0 24042 WAT 2852 TIP3 OH2 OT -0.834000 15.9994 0 24043 WAT 2852 TIP3 H1 HT 0.417000 1.0080 0 24044 WAT 2852 TIP3 H2 HT 0.417000 1.0080 0 24045 WAT 2853 TIP3 OH2 OT -0.834000 15.9994 0 24046 WAT 2853 TIP3 H1 HT 0.417000 1.0080 0 24047 WAT 2853 TIP3 H2 HT 0.417000 1.0080 0 24048 WAT 2854 TIP3 OH2 OT -0.834000 15.9994 0 24049 WAT 2854 TIP3 H1 HT 0.417000 1.0080 0 24050 WAT 2854 TIP3 H2 HT 0.417000 1.0080 0 24051 WAT 2855 TIP3 OH2 OT -0.834000 15.9994 0 24052 WAT 2855 TIP3 H1 HT 0.417000 1.0080 0 24053 WAT 2855 TIP3 H2 HT 0.417000 1.0080 0 24054 WAT 2856 TIP3 OH2 OT -0.834000 15.9994 0 24055 WAT 2856 TIP3 H1 HT 0.417000 1.0080 0 24056 WAT 2856 TIP3 H2 HT 0.417000 1.0080 0 24057 WAT 2857 TIP3 OH2 OT -0.834000 15.9994 0 24058 WAT 2857 TIP3 H1 HT 0.417000 1.0080 0 24059 WAT 2857 TIP3 H2 HT 0.417000 1.0080 0 24060 WAT 2858 TIP3 OH2 OT -0.834000 15.9994 0 24061 WAT 2858 TIP3 H1 HT 0.417000 1.0080 0 24062 WAT 2858 TIP3 H2 HT 0.417000 1.0080 0 24063 WAT 2859 TIP3 OH2 OT -0.834000 15.9994 0 24064 WAT 2859 TIP3 H1 HT 0.417000 1.0080 0 24065 WAT 2859 TIP3 H2 HT 0.417000 1.0080 0 24066 WAT 2860 TIP3 OH2 OT -0.834000 15.9994 0 24067 WAT 2860 TIP3 H1 HT 0.417000 1.0080 0 24068 WAT 2860 TIP3 H2 HT 0.417000 1.0080 0 24069 WAT 2861 TIP3 OH2 OT -0.834000 15.9994 0 24070 WAT 2861 TIP3 H1 HT 0.417000 1.0080 0 24071 WAT 2861 TIP3 H2 HT 0.417000 1.0080 0 24072 WAT 2862 TIP3 OH2 OT -0.834000 15.9994 0 24073 WAT 2862 TIP3 H1 HT 0.417000 1.0080 0 24074 WAT 2862 TIP3 H2 HT 0.417000 1.0080 0 24075 WAT 2863 TIP3 OH2 OT -0.834000 15.9994 0 24076 WAT 2863 TIP3 H1 HT 0.417000 1.0080 0 24077 WAT 2863 TIP3 H2 HT 0.417000 1.0080 0 24078 WAT 2864 TIP3 OH2 OT -0.834000 15.9994 0 24079 WAT 2864 TIP3 H1 HT 0.417000 1.0080 0 24080 WAT 2864 TIP3 H2 HT 0.417000 1.0080 0 24081 WAT 2865 TIP3 OH2 OT -0.834000 15.9994 0 24082 WAT 2865 TIP3 H1 HT 0.417000 1.0080 0 24083 WAT 2865 TIP3 H2 HT 0.417000 1.0080 0 24084 WAT 2866 TIP3 OH2 OT -0.834000 15.9994 0 24085 WAT 2866 TIP3 H1 HT 0.417000 1.0080 0 24086 WAT 2866 TIP3 H2 HT 0.417000 1.0080 0 24087 WAT 2867 TIP3 OH2 OT -0.834000 15.9994 0 24088 WAT 2867 TIP3 H1 HT 0.417000 1.0080 0 24089 WAT 2867 TIP3 H2 HT 0.417000 1.0080 0 24090 WAT 2868 TIP3 OH2 OT -0.834000 15.9994 0 24091 WAT 2868 TIP3 H1 HT 0.417000 1.0080 0 24092 WAT 2868 TIP3 H2 HT 0.417000 1.0080 0 24093 WAT 2869 TIP3 OH2 OT -0.834000 15.9994 0 24094 WAT 2869 TIP3 H1 HT 0.417000 1.0080 0 24095 WAT 2869 TIP3 H2 HT 0.417000 1.0080 0 24096 WAT 2870 TIP3 OH2 OT -0.834000 15.9994 0 24097 WAT 2870 TIP3 H1 HT 0.417000 1.0080 0 24098 WAT 2870 TIP3 H2 HT 0.417000 1.0080 0 24099 WAT 2871 TIP3 OH2 OT -0.834000 15.9994 0 24100 WAT 2871 TIP3 H1 HT 0.417000 1.0080 0 24101 WAT 2871 TIP3 H2 HT 0.417000 1.0080 0 24102 WAT 2872 TIP3 OH2 OT -0.834000 15.9994 0 24103 WAT 2872 TIP3 H1 HT 0.417000 1.0080 0 24104 WAT 2872 TIP3 H2 HT 0.417000 1.0080 0 24105 WAT 2873 TIP3 OH2 OT -0.834000 15.9994 0 24106 WAT 2873 TIP3 H1 HT 0.417000 1.0080 0 24107 WAT 2873 TIP3 H2 HT 0.417000 1.0080 0 24108 WAT 2874 TIP3 OH2 OT -0.834000 15.9994 0 24109 WAT 2874 TIP3 H1 HT 0.417000 1.0080 0 24110 WAT 2874 TIP3 H2 HT 0.417000 1.0080 0 24111 WAT 2875 TIP3 OH2 OT -0.834000 15.9994 0 24112 WAT 2875 TIP3 H1 HT 0.417000 1.0080 0 24113 WAT 2875 TIP3 H2 HT 0.417000 1.0080 0 24114 WAT 2876 TIP3 OH2 OT -0.834000 15.9994 0 24115 WAT 2876 TIP3 H1 HT 0.417000 1.0080 0 24116 WAT 2876 TIP3 H2 HT 0.417000 1.0080 0 24117 WAT 2877 TIP3 OH2 OT -0.834000 15.9994 0 24118 WAT 2877 TIP3 H1 HT 0.417000 1.0080 0 24119 WAT 2877 TIP3 H2 HT 0.417000 1.0080 0 24120 WAT 2878 TIP3 OH2 OT -0.834000 15.9994 0 24121 WAT 2878 TIP3 H1 HT 0.417000 1.0080 0 24122 WAT 2878 TIP3 H2 HT 0.417000 1.0080 0 24123 WAT 2879 TIP3 OH2 OT -0.834000 15.9994 0 24124 WAT 2879 TIP3 H1 HT 0.417000 1.0080 0 24125 WAT 2879 TIP3 H2 HT 0.417000 1.0080 0 24126 WAT 2880 TIP3 OH2 OT -0.834000 15.9994 0 24127 WAT 2880 TIP3 H1 HT 0.417000 1.0080 0 24128 WAT 2880 TIP3 H2 HT 0.417000 1.0080 0 24129 WAT 2881 TIP3 OH2 OT -0.834000 15.9994 0 24130 WAT 2881 TIP3 H1 HT 0.417000 1.0080 0 24131 WAT 2881 TIP3 H2 HT 0.417000 1.0080 0 24132 WAT 2882 TIP3 OH2 OT -0.834000 15.9994 0 24133 WAT 2882 TIP3 H1 HT 0.417000 1.0080 0 24134 WAT 2882 TIP3 H2 HT 0.417000 1.0080 0 24135 WAT 2883 TIP3 OH2 OT -0.834000 15.9994 0 24136 WAT 2883 TIP3 H1 HT 0.417000 1.0080 0 24137 WAT 2883 TIP3 H2 HT 0.417000 1.0080 0 24138 WAT 2884 TIP3 OH2 OT -0.834000 15.9994 0 24139 WAT 2884 TIP3 H1 HT 0.417000 1.0080 0 24140 WAT 2884 TIP3 H2 HT 0.417000 1.0080 0 24141 WAT 2885 TIP3 OH2 OT -0.834000 15.9994 0 24142 WAT 2885 TIP3 H1 HT 0.417000 1.0080 0 24143 WAT 2885 TIP3 H2 HT 0.417000 1.0080 0 24144 WAT 2886 TIP3 OH2 OT -0.834000 15.9994 0 24145 WAT 2886 TIP3 H1 HT 0.417000 1.0080 0 24146 WAT 2886 TIP3 H2 HT 0.417000 1.0080 0 24147 WAT 2887 TIP3 OH2 OT -0.834000 15.9994 0 24148 WAT 2887 TIP3 H1 HT 0.417000 1.0080 0 24149 WAT 2887 TIP3 H2 HT 0.417000 1.0080 0 24150 WAT 2888 TIP3 OH2 OT -0.834000 15.9994 0 24151 WAT 2888 TIP3 H1 HT 0.417000 1.0080 0 24152 WAT 2888 TIP3 H2 HT 0.417000 1.0080 0 24153 WAT 2889 TIP3 OH2 OT -0.834000 15.9994 0 24154 WAT 2889 TIP3 H1 HT 0.417000 1.0080 0 24155 WAT 2889 TIP3 H2 HT 0.417000 1.0080 0 24156 WAT 2890 TIP3 OH2 OT -0.834000 15.9994 0 24157 WAT 2890 TIP3 H1 HT 0.417000 1.0080 0 24158 WAT 2890 TIP3 H2 HT 0.417000 1.0080 0 24159 WAT 2891 TIP3 OH2 OT -0.834000 15.9994 0 24160 WAT 2891 TIP3 H1 HT 0.417000 1.0080 0 24161 WAT 2891 TIP3 H2 HT 0.417000 1.0080 0 24162 WAT 2892 TIP3 OH2 OT -0.834000 15.9994 0 24163 WAT 2892 TIP3 H1 HT 0.417000 1.0080 0 24164 WAT 2892 TIP3 H2 HT 0.417000 1.0080 0 24165 WAT 2893 TIP3 OH2 OT -0.834000 15.9994 0 24166 WAT 2893 TIP3 H1 HT 0.417000 1.0080 0 24167 WAT 2893 TIP3 H2 HT 0.417000 1.0080 0 24168 WAT 2894 TIP3 OH2 OT -0.834000 15.9994 0 24169 WAT 2894 TIP3 H1 HT 0.417000 1.0080 0 24170 WAT 2894 TIP3 H2 HT 0.417000 1.0080 0 24171 WAT 2895 TIP3 OH2 OT -0.834000 15.9994 0 24172 WAT 2895 TIP3 H1 HT 0.417000 1.0080 0 24173 WAT 2895 TIP3 H2 HT 0.417000 1.0080 0 24174 WAT 2896 TIP3 OH2 OT -0.834000 15.9994 0 24175 WAT 2896 TIP3 H1 HT 0.417000 1.0080 0 24176 WAT 2896 TIP3 H2 HT 0.417000 1.0080 0 24177 WAT 2897 TIP3 OH2 OT -0.834000 15.9994 0 24178 WAT 2897 TIP3 H1 HT 0.417000 1.0080 0 24179 WAT 2897 TIP3 H2 HT 0.417000 1.0080 0 24180 WAT 2898 TIP3 OH2 OT -0.834000 15.9994 0 24181 WAT 2898 TIP3 H1 HT 0.417000 1.0080 0 24182 WAT 2898 TIP3 H2 HT 0.417000 1.0080 0 24183 WAT 2899 TIP3 OH2 OT -0.834000 15.9994 0 24184 WAT 2899 TIP3 H1 HT 0.417000 1.0080 0 24185 WAT 2899 TIP3 H2 HT 0.417000 1.0080 0 24186 WAT 2900 TIP3 OH2 OT -0.834000 15.9994 0 24187 WAT 2900 TIP3 H1 HT 0.417000 1.0080 0 24188 WAT 2900 TIP3 H2 HT 0.417000 1.0080 0 24189 WAT 2901 TIP3 OH2 OT -0.834000 15.9994 0 24190 WAT 2901 TIP3 H1 HT 0.417000 1.0080 0 24191 WAT 2901 TIP3 H2 HT 0.417000 1.0080 0 24192 WAT 2902 TIP3 OH2 OT -0.834000 15.9994 0 24193 WAT 2902 TIP3 H1 HT 0.417000 1.0080 0 24194 WAT 2902 TIP3 H2 HT 0.417000 1.0080 0 24195 WAT 2903 TIP3 OH2 OT -0.834000 15.9994 0 24196 WAT 2903 TIP3 H1 HT 0.417000 1.0080 0 24197 WAT 2903 TIP3 H2 HT 0.417000 1.0080 0 24198 WAT 2904 TIP3 OH2 OT -0.834000 15.9994 0 24199 WAT 2904 TIP3 H1 HT 0.417000 1.0080 0 24200 WAT 2904 TIP3 H2 HT 0.417000 1.0080 0 24201 WAT 2905 TIP3 OH2 OT -0.834000 15.9994 0 24202 WAT 2905 TIP3 H1 HT 0.417000 1.0080 0 24203 WAT 2905 TIP3 H2 HT 0.417000 1.0080 0 24204 WAT 2906 TIP3 OH2 OT -0.834000 15.9994 0 24205 WAT 2906 TIP3 H1 HT 0.417000 1.0080 0 24206 WAT 2906 TIP3 H2 HT 0.417000 1.0080 0 24207 WAT 2907 TIP3 OH2 OT -0.834000 15.9994 0 24208 WAT 2907 TIP3 H1 HT 0.417000 1.0080 0 24209 WAT 2907 TIP3 H2 HT 0.417000 1.0080 0 24210 WAT 2908 TIP3 OH2 OT -0.834000 15.9994 0 24211 WAT 2908 TIP3 H1 HT 0.417000 1.0080 0 24212 WAT 2908 TIP3 H2 HT 0.417000 1.0080 0 24213 WAT 2909 TIP3 OH2 OT -0.834000 15.9994 0 24214 WAT 2909 TIP3 H1 HT 0.417000 1.0080 0 24215 WAT 2909 TIP3 H2 HT 0.417000 1.0080 0 24216 WAT 2910 TIP3 OH2 OT -0.834000 15.9994 0 24217 WAT 2910 TIP3 H1 HT 0.417000 1.0080 0 24218 WAT 2910 TIP3 H2 HT 0.417000 1.0080 0 24219 WAT 2911 TIP3 OH2 OT -0.834000 15.9994 0 24220 WAT 2911 TIP3 H1 HT 0.417000 1.0080 0 24221 WAT 2911 TIP3 H2 HT 0.417000 1.0080 0 24222 WAT 2912 TIP3 OH2 OT -0.834000 15.9994 0 24223 WAT 2912 TIP3 H1 HT 0.417000 1.0080 0 24224 WAT 2912 TIP3 H2 HT 0.417000 1.0080 0 24225 WAT 2913 TIP3 OH2 OT -0.834000 15.9994 0 24226 WAT 2913 TIP3 H1 HT 0.417000 1.0080 0 24227 WAT 2913 TIP3 H2 HT 0.417000 1.0080 0 24228 WAT 2914 TIP3 OH2 OT -0.834000 15.9994 0 24229 WAT 2914 TIP3 H1 HT 0.417000 1.0080 0 24230 WAT 2914 TIP3 H2 HT 0.417000 1.0080 0 24231 WAT 2915 TIP3 OH2 OT -0.834000 15.9994 0 24232 WAT 2915 TIP3 H1 HT 0.417000 1.0080 0 24233 WAT 2915 TIP3 H2 HT 0.417000 1.0080 0 24234 WAT 2916 TIP3 OH2 OT -0.834000 15.9994 0 24235 WAT 2916 TIP3 H1 HT 0.417000 1.0080 0 24236 WAT 2916 TIP3 H2 HT 0.417000 1.0080 0 24237 WAT 2917 TIP3 OH2 OT -0.834000 15.9994 0 24238 WAT 2917 TIP3 H1 HT 0.417000 1.0080 0 24239 WAT 2917 TIP3 H2 HT 0.417000 1.0080 0 24240 WAT 2918 TIP3 OH2 OT -0.834000 15.9994 0 24241 WAT 2918 TIP3 H1 HT 0.417000 1.0080 0 24242 WAT 2918 TIP3 H2 HT 0.417000 1.0080 0 24243 WAT 2919 TIP3 OH2 OT -0.834000 15.9994 0 24244 WAT 2919 TIP3 H1 HT 0.417000 1.0080 0 24245 WAT 2919 TIP3 H2 HT 0.417000 1.0080 0 24246 WAT 2920 TIP3 OH2 OT -0.834000 15.9994 0 24247 WAT 2920 TIP3 H1 HT 0.417000 1.0080 0 24248 WAT 2920 TIP3 H2 HT 0.417000 1.0080 0 24249 WAT 2921 TIP3 OH2 OT -0.834000 15.9994 0 24250 WAT 2921 TIP3 H1 HT 0.417000 1.0080 0 24251 WAT 2921 TIP3 H2 HT 0.417000 1.0080 0 24252 WAT 2922 TIP3 OH2 OT -0.834000 15.9994 0 24253 WAT 2922 TIP3 H1 HT 0.417000 1.0080 0 24254 WAT 2922 TIP3 H2 HT 0.417000 1.0080 0 24255 WAT 2923 TIP3 OH2 OT -0.834000 15.9994 0 24256 WAT 2923 TIP3 H1 HT 0.417000 1.0080 0 24257 WAT 2923 TIP3 H2 HT 0.417000 1.0080 0 24258 WAT 2924 TIP3 OH2 OT -0.834000 15.9994 0 24259 WAT 2924 TIP3 H1 HT 0.417000 1.0080 0 24260 WAT 2924 TIP3 H2 HT 0.417000 1.0080 0 24261 WAT 2925 TIP3 OH2 OT -0.834000 15.9994 0 24262 WAT 2925 TIP3 H1 HT 0.417000 1.0080 0 24263 WAT 2925 TIP3 H2 HT 0.417000 1.0080 0 24264 WAT 2926 TIP3 OH2 OT -0.834000 15.9994 0 24265 WAT 2926 TIP3 H1 HT 0.417000 1.0080 0 24266 WAT 2926 TIP3 H2 HT 0.417000 1.0080 0 24267 WAT 2927 TIP3 OH2 OT -0.834000 15.9994 0 24268 WAT 2927 TIP3 H1 HT 0.417000 1.0080 0 24269 WAT 2927 TIP3 H2 HT 0.417000 1.0080 0 24270 WAT 2928 TIP3 OH2 OT -0.834000 15.9994 0 24271 WAT 2928 TIP3 H1 HT 0.417000 1.0080 0 24272 WAT 2928 TIP3 H2 HT 0.417000 1.0080 0 24273 WAT 2929 TIP3 OH2 OT -0.834000 15.9994 0 24274 WAT 2929 TIP3 H1 HT 0.417000 1.0080 0 24275 WAT 2929 TIP3 H2 HT 0.417000 1.0080 0 24276 WAT 2930 TIP3 OH2 OT -0.834000 15.9994 0 24277 WAT 2930 TIP3 H1 HT 0.417000 1.0080 0 24278 WAT 2930 TIP3 H2 HT 0.417000 1.0080 0 24279 WAT 2931 TIP3 OH2 OT -0.834000 15.9994 0 24280 WAT 2931 TIP3 H1 HT 0.417000 1.0080 0 24281 WAT 2931 TIP3 H2 HT 0.417000 1.0080 0 24282 WAT 2932 TIP3 OH2 OT -0.834000 15.9994 0 24283 WAT 2932 TIP3 H1 HT 0.417000 1.0080 0 24284 WAT 2932 TIP3 H2 HT 0.417000 1.0080 0 24285 WAT 2933 TIP3 OH2 OT -0.834000 15.9994 0 24286 WAT 2933 TIP3 H1 HT 0.417000 1.0080 0 24287 WAT 2933 TIP3 H2 HT 0.417000 1.0080 0 24288 WAT 2934 TIP3 OH2 OT -0.834000 15.9994 0 24289 WAT 2934 TIP3 H1 HT 0.417000 1.0080 0 24290 WAT 2934 TIP3 H2 HT 0.417000 1.0080 0 24291 WAT 2935 TIP3 OH2 OT -0.834000 15.9994 0 24292 WAT 2935 TIP3 H1 HT 0.417000 1.0080 0 24293 WAT 2935 TIP3 H2 HT 0.417000 1.0080 0 24294 WAT 2936 TIP3 OH2 OT -0.834000 15.9994 0 24295 WAT 2936 TIP3 H1 HT 0.417000 1.0080 0 24296 WAT 2936 TIP3 H2 HT 0.417000 1.0080 0 24297 WAT 2937 TIP3 OH2 OT -0.834000 15.9994 0 24298 WAT 2937 TIP3 H1 HT 0.417000 1.0080 0 24299 WAT 2937 TIP3 H2 HT 0.417000 1.0080 0 24300 WAT 2938 TIP3 OH2 OT -0.834000 15.9994 0 24301 WAT 2938 TIP3 H1 HT 0.417000 1.0080 0 24302 WAT 2938 TIP3 H2 HT 0.417000 1.0080 0 24303 WAT 2939 TIP3 OH2 OT -0.834000 15.9994 0 24304 WAT 2939 TIP3 H1 HT 0.417000 1.0080 0 24305 WAT 2939 TIP3 H2 HT 0.417000 1.0080 0 24306 WAT 2940 TIP3 OH2 OT -0.834000 15.9994 0 24307 WAT 2940 TIP3 H1 HT 0.417000 1.0080 0 24308 WAT 2940 TIP3 H2 HT 0.417000 1.0080 0 24309 WAT 2941 TIP3 OH2 OT -0.834000 15.9994 0 24310 WAT 2941 TIP3 H1 HT 0.417000 1.0080 0 24311 WAT 2941 TIP3 H2 HT 0.417000 1.0080 0 24312 WAT 2942 TIP3 OH2 OT -0.834000 15.9994 0 24313 WAT 2942 TIP3 H1 HT 0.417000 1.0080 0 24314 WAT 2942 TIP3 H2 HT 0.417000 1.0080 0 24315 WAT 2943 TIP3 OH2 OT -0.834000 15.9994 0 24316 WAT 2943 TIP3 H1 HT 0.417000 1.0080 0 24317 WAT 2943 TIP3 H2 HT 0.417000 1.0080 0 24318 WAT 2944 TIP3 OH2 OT -0.834000 15.9994 0 24319 WAT 2944 TIP3 H1 HT 0.417000 1.0080 0 24320 WAT 2944 TIP3 H2 HT 0.417000 1.0080 0 24321 WAT 2945 TIP3 OH2 OT -0.834000 15.9994 0 24322 WAT 2945 TIP3 H1 HT 0.417000 1.0080 0 24323 WAT 2945 TIP3 H2 HT 0.417000 1.0080 0 24324 WAT 2946 TIP3 OH2 OT -0.834000 15.9994 0 24325 WAT 2946 TIP3 H1 HT 0.417000 1.0080 0 24326 WAT 2946 TIP3 H2 HT 0.417000 1.0080 0 24327 WAT 2947 TIP3 OH2 OT -0.834000 15.9994 0 24328 WAT 2947 TIP3 H1 HT 0.417000 1.0080 0 24329 WAT 2947 TIP3 H2 HT 0.417000 1.0080 0 24330 WAT 2948 TIP3 OH2 OT -0.834000 15.9994 0 24331 WAT 2948 TIP3 H1 HT 0.417000 1.0080 0 24332 WAT 2948 TIP3 H2 HT 0.417000 1.0080 0 24333 WAT 2949 TIP3 OH2 OT -0.834000 15.9994 0 24334 WAT 2949 TIP3 H1 HT 0.417000 1.0080 0 24335 WAT 2949 TIP3 H2 HT 0.417000 1.0080 0 24336 WAT 2950 TIP3 OH2 OT -0.834000 15.9994 0 24337 WAT 2950 TIP3 H1 HT 0.417000 1.0080 0 24338 WAT 2950 TIP3 H2 HT 0.417000 1.0080 0 24339 WAT 2951 TIP3 OH2 OT -0.834000 15.9994 0 24340 WAT 2951 TIP3 H1 HT 0.417000 1.0080 0 24341 WAT 2951 TIP3 H2 HT 0.417000 1.0080 0 24342 WAT 2952 TIP3 OH2 OT -0.834000 15.9994 0 24343 WAT 2952 TIP3 H1 HT 0.417000 1.0080 0 24344 WAT 2952 TIP3 H2 HT 0.417000 1.0080 0 24345 WAT 2953 TIP3 OH2 OT -0.834000 15.9994 0 24346 WAT 2953 TIP3 H1 HT 0.417000 1.0080 0 24347 WAT 2953 TIP3 H2 HT 0.417000 1.0080 0 24348 WAT 2954 TIP3 OH2 OT -0.834000 15.9994 0 24349 WAT 2954 TIP3 H1 HT 0.417000 1.0080 0 24350 WAT 2954 TIP3 H2 HT 0.417000 1.0080 0 24351 WAT 2955 TIP3 OH2 OT -0.834000 15.9994 0 24352 WAT 2955 TIP3 H1 HT 0.417000 1.0080 0 24353 WAT 2955 TIP3 H2 HT 0.417000 1.0080 0 24354 WAT 2956 TIP3 OH2 OT -0.834000 15.9994 0 24355 WAT 2956 TIP3 H1 HT 0.417000 1.0080 0 24356 WAT 2956 TIP3 H2 HT 0.417000 1.0080 0 24357 WAT 2957 TIP3 OH2 OT -0.834000 15.9994 0 24358 WAT 2957 TIP3 H1 HT 0.417000 1.0080 0 24359 WAT 2957 TIP3 H2 HT 0.417000 1.0080 0 24360 WAT 2958 TIP3 OH2 OT -0.834000 15.9994 0 24361 WAT 2958 TIP3 H1 HT 0.417000 1.0080 0 24362 WAT 2958 TIP3 H2 HT 0.417000 1.0080 0 24363 WAT 2959 TIP3 OH2 OT -0.834000 15.9994 0 24364 WAT 2959 TIP3 H1 HT 0.417000 1.0080 0 24365 WAT 2959 TIP3 H2 HT 0.417000 1.0080 0 24366 WAT 2960 TIP3 OH2 OT -0.834000 15.9994 0 24367 WAT 2960 TIP3 H1 HT 0.417000 1.0080 0 24368 WAT 2960 TIP3 H2 HT 0.417000 1.0080 0 24369 WAT 2961 TIP3 OH2 OT -0.834000 15.9994 0 24370 WAT 2961 TIP3 H1 HT 0.417000 1.0080 0 24371 WAT 2961 TIP3 H2 HT 0.417000 1.0080 0 24372 WAT 2962 TIP3 OH2 OT -0.834000 15.9994 0 24373 WAT 2962 TIP3 H1 HT 0.417000 1.0080 0 24374 WAT 2962 TIP3 H2 HT 0.417000 1.0080 0 24375 WAT 2963 TIP3 OH2 OT -0.834000 15.9994 0 24376 WAT 2963 TIP3 H1 HT 0.417000 1.0080 0 24377 WAT 2963 TIP3 H2 HT 0.417000 1.0080 0 24378 WAT 2964 TIP3 OH2 OT -0.834000 15.9994 0 24379 WAT 2964 TIP3 H1 HT 0.417000 1.0080 0 24380 WAT 2964 TIP3 H2 HT 0.417000 1.0080 0 24381 WAT 2965 TIP3 OH2 OT -0.834000 15.9994 0 24382 WAT 2965 TIP3 H1 HT 0.417000 1.0080 0 24383 WAT 2965 TIP3 H2 HT 0.417000 1.0080 0 24384 WAT 2966 TIP3 OH2 OT -0.834000 15.9994 0 24385 WAT 2966 TIP3 H1 HT 0.417000 1.0080 0 24386 WAT 2966 TIP3 H2 HT 0.417000 1.0080 0 24387 WAT 2967 TIP3 OH2 OT -0.834000 15.9994 0 24388 WAT 2967 TIP3 H1 HT 0.417000 1.0080 0 24389 WAT 2967 TIP3 H2 HT 0.417000 1.0080 0 24390 WAT 2968 TIP3 OH2 OT -0.834000 15.9994 0 24391 WAT 2968 TIP3 H1 HT 0.417000 1.0080 0 24392 WAT 2968 TIP3 H2 HT 0.417000 1.0080 0 24393 WAT 2969 TIP3 OH2 OT -0.834000 15.9994 0 24394 WAT 2969 TIP3 H1 HT 0.417000 1.0080 0 24395 WAT 2969 TIP3 H2 HT 0.417000 1.0080 0 24396 WAT 2970 TIP3 OH2 OT -0.834000 15.9994 0 24397 WAT 2970 TIP3 H1 HT 0.417000 1.0080 0 24398 WAT 2970 TIP3 H2 HT 0.417000 1.0080 0 24399 WAT 2971 TIP3 OH2 OT -0.834000 15.9994 0 24400 WAT 2971 TIP3 H1 HT 0.417000 1.0080 0 24401 WAT 2971 TIP3 H2 HT 0.417000 1.0080 0 24402 WAT 2972 TIP3 OH2 OT -0.834000 15.9994 0 24403 WAT 2972 TIP3 H1 HT 0.417000 1.0080 0 24404 WAT 2972 TIP3 H2 HT 0.417000 1.0080 0 24405 WAT 2973 TIP3 OH2 OT -0.834000 15.9994 0 24406 WAT 2973 TIP3 H1 HT 0.417000 1.0080 0 24407 WAT 2973 TIP3 H2 HT 0.417000 1.0080 0 24408 WAT 2974 TIP3 OH2 OT -0.834000 15.9994 0 24409 WAT 2974 TIP3 H1 HT 0.417000 1.0080 0 24410 WAT 2974 TIP3 H2 HT 0.417000 1.0080 0 24411 WAT 2975 TIP3 OH2 OT -0.834000 15.9994 0 24412 WAT 2975 TIP3 H1 HT 0.417000 1.0080 0 24413 WAT 2975 TIP3 H2 HT 0.417000 1.0080 0 24414 WAT 2976 TIP3 OH2 OT -0.834000 15.9994 0 24415 WAT 2976 TIP3 H1 HT 0.417000 1.0080 0 24416 WAT 2976 TIP3 H2 HT 0.417000 1.0080 0 24417 WAT 2977 TIP3 OH2 OT -0.834000 15.9994 0 24418 WAT 2977 TIP3 H1 HT 0.417000 1.0080 0 24419 WAT 2977 TIP3 H2 HT 0.417000 1.0080 0 24420 WAT 2978 TIP3 OH2 OT -0.834000 15.9994 0 24421 WAT 2978 TIP3 H1 HT 0.417000 1.0080 0 24422 WAT 2978 TIP3 H2 HT 0.417000 1.0080 0 24423 WAT 2979 TIP3 OH2 OT -0.834000 15.9994 0 24424 WAT 2979 TIP3 H1 HT 0.417000 1.0080 0 24425 WAT 2979 TIP3 H2 HT 0.417000 1.0080 0 24426 WAT 2980 TIP3 OH2 OT -0.834000 15.9994 0 24427 WAT 2980 TIP3 H1 HT 0.417000 1.0080 0 24428 WAT 2980 TIP3 H2 HT 0.417000 1.0080 0 24429 WAT 2981 TIP3 OH2 OT -0.834000 15.9994 0 24430 WAT 2981 TIP3 H1 HT 0.417000 1.0080 0 24431 WAT 2981 TIP3 H2 HT 0.417000 1.0080 0 24432 WAT 2982 TIP3 OH2 OT -0.834000 15.9994 0 24433 WAT 2982 TIP3 H1 HT 0.417000 1.0080 0 24434 WAT 2982 TIP3 H2 HT 0.417000 1.0080 0 24435 WAT 2983 TIP3 OH2 OT -0.834000 15.9994 0 24436 WAT 2983 TIP3 H1 HT 0.417000 1.0080 0 24437 WAT 2983 TIP3 H2 HT 0.417000 1.0080 0 24438 WAT 2984 TIP3 OH2 OT -0.834000 15.9994 0 24439 WAT 2984 TIP3 H1 HT 0.417000 1.0080 0 24440 WAT 2984 TIP3 H2 HT 0.417000 1.0080 0 24441 WAT 2985 TIP3 OH2 OT -0.834000 15.9994 0 24442 WAT 2985 TIP3 H1 HT 0.417000 1.0080 0 24443 WAT 2985 TIP3 H2 HT 0.417000 1.0080 0 24444 WAT 2986 TIP3 OH2 OT -0.834000 15.9994 0 24445 WAT 2986 TIP3 H1 HT 0.417000 1.0080 0 24446 WAT 2986 TIP3 H2 HT 0.417000 1.0080 0 24447 WAT 2987 TIP3 OH2 OT -0.834000 15.9994 0 24448 WAT 2987 TIP3 H1 HT 0.417000 1.0080 0 24449 WAT 2987 TIP3 H2 HT 0.417000 1.0080 0 24450 WAT 2988 TIP3 OH2 OT -0.834000 15.9994 0 24451 WAT 2988 TIP3 H1 HT 0.417000 1.0080 0 24452 WAT 2988 TIP3 H2 HT 0.417000 1.0080 0 24453 WAT 2989 TIP3 OH2 OT -0.834000 15.9994 0 24454 WAT 2989 TIP3 H1 HT 0.417000 1.0080 0 24455 WAT 2989 TIP3 H2 HT 0.417000 1.0080 0 24456 WAT 2990 TIP3 OH2 OT -0.834000 15.9994 0 24457 WAT 2990 TIP3 H1 HT 0.417000 1.0080 0 24458 WAT 2990 TIP3 H2 HT 0.417000 1.0080 0 24459 WAT 2991 TIP3 OH2 OT -0.834000 15.9994 0 24460 WAT 2991 TIP3 H1 HT 0.417000 1.0080 0 24461 WAT 2991 TIP3 H2 HT 0.417000 1.0080 0 24462 WAT 2992 TIP3 OH2 OT -0.834000 15.9994 0 24463 WAT 2992 TIP3 H1 HT 0.417000 1.0080 0 24464 WAT 2992 TIP3 H2 HT 0.417000 1.0080 0 24465 WAT 2993 TIP3 OH2 OT -0.834000 15.9994 0 24466 WAT 2993 TIP3 H1 HT 0.417000 1.0080 0 24467 WAT 2993 TIP3 H2 HT 0.417000 1.0080 0 24468 WAT 2994 TIP3 OH2 OT -0.834000 15.9994 0 24469 WAT 2994 TIP3 H1 HT 0.417000 1.0080 0 24470 WAT 2994 TIP3 H2 HT 0.417000 1.0080 0 24471 WAT 2995 TIP3 OH2 OT -0.834000 15.9994 0 24472 WAT 2995 TIP3 H1 HT 0.417000 1.0080 0 24473 WAT 2995 TIP3 H2 HT 0.417000 1.0080 0 24474 WAT 2996 TIP3 OH2 OT -0.834000 15.9994 0 24475 WAT 2996 TIP3 H1 HT 0.417000 1.0080 0 24476 WAT 2996 TIP3 H2 HT 0.417000 1.0080 0 24477 WAT 2997 TIP3 OH2 OT -0.834000 15.9994 0 24478 WAT 2997 TIP3 H1 HT 0.417000 1.0080 0 24479 WAT 2997 TIP3 H2 HT 0.417000 1.0080 0 24480 WAT 2998 TIP3 OH2 OT -0.834000 15.9994 0 24481 WAT 2998 TIP3 H1 HT 0.417000 1.0080 0 24482 WAT 2998 TIP3 H2 HT 0.417000 1.0080 0 24483 WAT 2999 TIP3 OH2 OT -0.834000 15.9994 0 24484 WAT 2999 TIP3 H1 HT 0.417000 1.0080 0 24485 WAT 2999 TIP3 H2 HT 0.417000 1.0080 0 24486 WAT 3000 TIP3 OH2 OT -0.834000 15.9994 0 24487 WAT 3000 TIP3 H1 HT 0.417000 1.0080 0 24488 WAT 3000 TIP3 H2 HT 0.417000 1.0080 0 24489 WAT 3001 TIP3 OH2 OT -0.834000 15.9994 0 24490 WAT 3001 TIP3 H1 HT 0.417000 1.0080 0 24491 WAT 3001 TIP3 H2 HT 0.417000 1.0080 0 24492 WAT 3002 TIP3 OH2 OT -0.834000 15.9994 0 24493 WAT 3002 TIP3 H1 HT 0.417000 1.0080 0 24494 WAT 3002 TIP3 H2 HT 0.417000 1.0080 0 24495 WAT 3003 TIP3 OH2 OT -0.834000 15.9994 0 24496 WAT 3003 TIP3 H1 HT 0.417000 1.0080 0 24497 WAT 3003 TIP3 H2 HT 0.417000 1.0080 0 24498 WAT 3004 TIP3 OH2 OT -0.834000 15.9994 0 24499 WAT 3004 TIP3 H1 HT 0.417000 1.0080 0 24500 WAT 3004 TIP3 H2 HT 0.417000 1.0080 0 24501 WAT 3005 TIP3 OH2 OT -0.834000 15.9994 0 24502 WAT 3005 TIP3 H1 HT 0.417000 1.0080 0 24503 WAT 3005 TIP3 H2 HT 0.417000 1.0080 0 24504 WAT 3006 TIP3 OH2 OT -0.834000 15.9994 0 24505 WAT 3006 TIP3 H1 HT 0.417000 1.0080 0 24506 WAT 3006 TIP3 H2 HT 0.417000 1.0080 0 24507 WAT 3007 TIP3 OH2 OT -0.834000 15.9994 0 24508 WAT 3007 TIP3 H1 HT 0.417000 1.0080 0 24509 WAT 3007 TIP3 H2 HT 0.417000 1.0080 0 24510 WAT 3008 TIP3 OH2 OT -0.834000 15.9994 0 24511 WAT 3008 TIP3 H1 HT 0.417000 1.0080 0 24512 WAT 3008 TIP3 H2 HT 0.417000 1.0080 0 24513 WAT 3009 TIP3 OH2 OT -0.834000 15.9994 0 24514 WAT 3009 TIP3 H1 HT 0.417000 1.0080 0 24515 WAT 3009 TIP3 H2 HT 0.417000 1.0080 0 24516 WAT 3010 TIP3 OH2 OT -0.834000 15.9994 0 24517 WAT 3010 TIP3 H1 HT 0.417000 1.0080 0 24518 WAT 3010 TIP3 H2 HT 0.417000 1.0080 0 24519 WAT 3011 TIP3 OH2 OT -0.834000 15.9994 0 24520 WAT 3011 TIP3 H1 HT 0.417000 1.0080 0 24521 WAT 3011 TIP3 H2 HT 0.417000 1.0080 0 24522 WAT 3012 TIP3 OH2 OT -0.834000 15.9994 0 24523 WAT 3012 TIP3 H1 HT 0.417000 1.0080 0 24524 WAT 3012 TIP3 H2 HT 0.417000 1.0080 0 24525 WAT 3013 TIP3 OH2 OT -0.834000 15.9994 0 24526 WAT 3013 TIP3 H1 HT 0.417000 1.0080 0 24527 WAT 3013 TIP3 H2 HT 0.417000 1.0080 0 24528 WAT 3014 TIP3 OH2 OT -0.834000 15.9994 0 24529 WAT 3014 TIP3 H1 HT 0.417000 1.0080 0 24530 WAT 3014 TIP3 H2 HT 0.417000 1.0080 0 24531 WAT 3015 TIP3 OH2 OT -0.834000 15.9994 0 24532 WAT 3015 TIP3 H1 HT 0.417000 1.0080 0 24533 WAT 3015 TIP3 H2 HT 0.417000 1.0080 0 24534 WAT 3016 TIP3 OH2 OT -0.834000 15.9994 0 24535 WAT 3016 TIP3 H1 HT 0.417000 1.0080 0 24536 WAT 3016 TIP3 H2 HT 0.417000 1.0080 0 24537 WAT 3017 TIP3 OH2 OT -0.834000 15.9994 0 24538 WAT 3017 TIP3 H1 HT 0.417000 1.0080 0 24539 WAT 3017 TIP3 H2 HT 0.417000 1.0080 0 24540 WAT 3018 TIP3 OH2 OT -0.834000 15.9994 0 24541 WAT 3018 TIP3 H1 HT 0.417000 1.0080 0 24542 WAT 3018 TIP3 H2 HT 0.417000 1.0080 0 24543 WAT 3019 TIP3 OH2 OT -0.834000 15.9994 0 24544 WAT 3019 TIP3 H1 HT 0.417000 1.0080 0 24545 WAT 3019 TIP3 H2 HT 0.417000 1.0080 0 24546 WAT 3020 TIP3 OH2 OT -0.834000 15.9994 0 24547 WAT 3020 TIP3 H1 HT 0.417000 1.0080 0 24548 WAT 3020 TIP3 H2 HT 0.417000 1.0080 0 24549 WAT 3021 TIP3 OH2 OT -0.834000 15.9994 0 24550 WAT 3021 TIP3 H1 HT 0.417000 1.0080 0 24551 WAT 3021 TIP3 H2 HT 0.417000 1.0080 0 24552 WAT 3022 TIP3 OH2 OT -0.834000 15.9994 0 24553 WAT 3022 TIP3 H1 HT 0.417000 1.0080 0 24554 WAT 3022 TIP3 H2 HT 0.417000 1.0080 0 24555 WAT 3023 TIP3 OH2 OT -0.834000 15.9994 0 24556 WAT 3023 TIP3 H1 HT 0.417000 1.0080 0 24557 WAT 3023 TIP3 H2 HT 0.417000 1.0080 0 24558 WAT 3024 TIP3 OH2 OT -0.834000 15.9994 0 24559 WAT 3024 TIP3 H1 HT 0.417000 1.0080 0 24560 WAT 3024 TIP3 H2 HT 0.417000 1.0080 0 24561 WAT 3025 TIP3 OH2 OT -0.834000 15.9994 0 24562 WAT 3025 TIP3 H1 HT 0.417000 1.0080 0 24563 WAT 3025 TIP3 H2 HT 0.417000 1.0080 0 24564 WAT 3026 TIP3 OH2 OT -0.834000 15.9994 0 24565 WAT 3026 TIP3 H1 HT 0.417000 1.0080 0 24566 WAT 3026 TIP3 H2 HT 0.417000 1.0080 0 24567 WAT 3027 TIP3 OH2 OT -0.834000 15.9994 0 24568 WAT 3027 TIP3 H1 HT 0.417000 1.0080 0 24569 WAT 3027 TIP3 H2 HT 0.417000 1.0080 0 24570 WAT 3028 TIP3 OH2 OT -0.834000 15.9994 0 24571 WAT 3028 TIP3 H1 HT 0.417000 1.0080 0 24572 WAT 3028 TIP3 H2 HT 0.417000 1.0080 0 24573 WAT 3029 TIP3 OH2 OT -0.834000 15.9994 0 24574 WAT 3029 TIP3 H1 HT 0.417000 1.0080 0 24575 WAT 3029 TIP3 H2 HT 0.417000 1.0080 0 24576 WAT 3030 TIP3 OH2 OT -0.834000 15.9994 0 24577 WAT 3030 TIP3 H1 HT 0.417000 1.0080 0 24578 WAT 3030 TIP3 H2 HT 0.417000 1.0080 0 24579 WAT 3031 TIP3 OH2 OT -0.834000 15.9994 0 24580 WAT 3031 TIP3 H1 HT 0.417000 1.0080 0 24581 WAT 3031 TIP3 H2 HT 0.417000 1.0080 0 24582 WAT 3032 TIP3 OH2 OT -0.834000 15.9994 0 24583 WAT 3032 TIP3 H1 HT 0.417000 1.0080 0 24584 WAT 3032 TIP3 H2 HT 0.417000 1.0080 0 24585 WAT 3033 TIP3 OH2 OT -0.834000 15.9994 0 24586 WAT 3033 TIP3 H1 HT 0.417000 1.0080 0 24587 WAT 3033 TIP3 H2 HT 0.417000 1.0080 0 24588 WAT 3034 TIP3 OH2 OT -0.834000 15.9994 0 24589 WAT 3034 TIP3 H1 HT 0.417000 1.0080 0 24590 WAT 3034 TIP3 H2 HT 0.417000 1.0080 0 24591 WAT 3035 TIP3 OH2 OT -0.834000 15.9994 0 24592 WAT 3035 TIP3 H1 HT 0.417000 1.0080 0 24593 WAT 3035 TIP3 H2 HT 0.417000 1.0080 0 24594 WAT 3036 TIP3 OH2 OT -0.834000 15.9994 0 24595 WAT 3036 TIP3 H1 HT 0.417000 1.0080 0 24596 WAT 3036 TIP3 H2 HT 0.417000 1.0080 0 24597 WAT 3037 TIP3 OH2 OT -0.834000 15.9994 0 24598 WAT 3037 TIP3 H1 HT 0.417000 1.0080 0 24599 WAT 3037 TIP3 H2 HT 0.417000 1.0080 0 24600 WAT 3038 TIP3 OH2 OT -0.834000 15.9994 0 24601 WAT 3038 TIP3 H1 HT 0.417000 1.0080 0 24602 WAT 3038 TIP3 H2 HT 0.417000 1.0080 0 24603 WAT 3039 TIP3 OH2 OT -0.834000 15.9994 0 24604 WAT 3039 TIP3 H1 HT 0.417000 1.0080 0 24605 WAT 3039 TIP3 H2 HT 0.417000 1.0080 0 24606 WAT 3040 TIP3 OH2 OT -0.834000 15.9994 0 24607 WAT 3040 TIP3 H1 HT 0.417000 1.0080 0 24608 WAT 3040 TIP3 H2 HT 0.417000 1.0080 0 24609 WAT 3041 TIP3 OH2 OT -0.834000 15.9994 0 24610 WAT 3041 TIP3 H1 HT 0.417000 1.0080 0 24611 WAT 3041 TIP3 H2 HT 0.417000 1.0080 0 24612 WAT 3042 TIP3 OH2 OT -0.834000 15.9994 0 24613 WAT 3042 TIP3 H1 HT 0.417000 1.0080 0 24614 WAT 3042 TIP3 H2 HT 0.417000 1.0080 0 24615 WAT 3043 TIP3 OH2 OT -0.834000 15.9994 0 24616 WAT 3043 TIP3 H1 HT 0.417000 1.0080 0 24617 WAT 3043 TIP3 H2 HT 0.417000 1.0080 0 24618 WAT 3044 TIP3 OH2 OT -0.834000 15.9994 0 24619 WAT 3044 TIP3 H1 HT 0.417000 1.0080 0 24620 WAT 3044 TIP3 H2 HT 0.417000 1.0080 0 24621 WAT 3045 TIP3 OH2 OT -0.834000 15.9994 0 24622 WAT 3045 TIP3 H1 HT 0.417000 1.0080 0 24623 WAT 3045 TIP3 H2 HT 0.417000 1.0080 0 24624 WAT 3046 TIP3 OH2 OT -0.834000 15.9994 0 24625 WAT 3046 TIP3 H1 HT 0.417000 1.0080 0 24626 WAT 3046 TIP3 H2 HT 0.417000 1.0080 0 24627 WAT 3047 TIP3 OH2 OT -0.834000 15.9994 0 24628 WAT 3047 TIP3 H1 HT 0.417000 1.0080 0 24629 WAT 3047 TIP3 H2 HT 0.417000 1.0080 0 24630 WAT 3048 TIP3 OH2 OT -0.834000 15.9994 0 24631 WAT 3048 TIP3 H1 HT 0.417000 1.0080 0 24632 WAT 3048 TIP3 H2 HT 0.417000 1.0080 0 24633 WAT 3049 TIP3 OH2 OT -0.834000 15.9994 0 24634 WAT 3049 TIP3 H1 HT 0.417000 1.0080 0 24635 WAT 3049 TIP3 H2 HT 0.417000 1.0080 0 24636 WAT 3050 TIP3 OH2 OT -0.834000 15.9994 0 24637 WAT 3050 TIP3 H1 HT 0.417000 1.0080 0 24638 WAT 3050 TIP3 H2 HT 0.417000 1.0080 0 24639 WAT 3051 TIP3 OH2 OT -0.834000 15.9994 0 24640 WAT 3051 TIP3 H1 HT 0.417000 1.0080 0 24641 WAT 3051 TIP3 H2 HT 0.417000 1.0080 0 24642 WAT 3052 TIP3 OH2 OT -0.834000 15.9994 0 24643 WAT 3052 TIP3 H1 HT 0.417000 1.0080 0 24644 WAT 3052 TIP3 H2 HT 0.417000 1.0080 0 24645 WAT 3053 TIP3 OH2 OT -0.834000 15.9994 0 24646 WAT 3053 TIP3 H1 HT 0.417000 1.0080 0 24647 WAT 3053 TIP3 H2 HT 0.417000 1.0080 0 24648 WAT 3054 TIP3 OH2 OT -0.834000 15.9994 0 24649 WAT 3054 TIP3 H1 HT 0.417000 1.0080 0 24650 WAT 3054 TIP3 H2 HT 0.417000 1.0080 0 24651 WAT 3055 TIP3 OH2 OT -0.834000 15.9994 0 24652 WAT 3055 TIP3 H1 HT 0.417000 1.0080 0 24653 WAT 3055 TIP3 H2 HT 0.417000 1.0080 0 24654 WAT 3056 TIP3 OH2 OT -0.834000 15.9994 0 24655 WAT 3056 TIP3 H1 HT 0.417000 1.0080 0 24656 WAT 3056 TIP3 H2 HT 0.417000 1.0080 0 24657 WAT 3057 TIP3 OH2 OT -0.834000 15.9994 0 24658 WAT 3057 TIP3 H1 HT 0.417000 1.0080 0 24659 WAT 3057 TIP3 H2 HT 0.417000 1.0080 0 24660 WAT 3058 TIP3 OH2 OT -0.834000 15.9994 0 24661 WAT 3058 TIP3 H1 HT 0.417000 1.0080 0 24662 WAT 3058 TIP3 H2 HT 0.417000 1.0080 0 24663 WAT 3059 TIP3 OH2 OT -0.834000 15.9994 0 24664 WAT 3059 TIP3 H1 HT 0.417000 1.0080 0 24665 WAT 3059 TIP3 H2 HT 0.417000 1.0080 0 24666 WAT 3060 TIP3 OH2 OT -0.834000 15.9994 0 24667 WAT 3060 TIP3 H1 HT 0.417000 1.0080 0 24668 WAT 3060 TIP3 H2 HT 0.417000 1.0080 0 24669 WAT 3061 TIP3 OH2 OT -0.834000 15.9994 0 24670 WAT 3061 TIP3 H1 HT 0.417000 1.0080 0 24671 WAT 3061 TIP3 H2 HT 0.417000 1.0080 0 24672 WAT 3062 TIP3 OH2 OT -0.834000 15.9994 0 24673 WAT 3062 TIP3 H1 HT 0.417000 1.0080 0 24674 WAT 3062 TIP3 H2 HT 0.417000 1.0080 0 24675 WAT 3063 TIP3 OH2 OT -0.834000 15.9994 0 24676 WAT 3063 TIP3 H1 HT 0.417000 1.0080 0 24677 WAT 3063 TIP3 H2 HT 0.417000 1.0080 0 24678 WAT 3064 TIP3 OH2 OT -0.834000 15.9994 0 24679 WAT 3064 TIP3 H1 HT 0.417000 1.0080 0 24680 WAT 3064 TIP3 H2 HT 0.417000 1.0080 0 24681 WAT 3065 TIP3 OH2 OT -0.834000 15.9994 0 24682 WAT 3065 TIP3 H1 HT 0.417000 1.0080 0 24683 WAT 3065 TIP3 H2 HT 0.417000 1.0080 0 24684 WAT 3066 TIP3 OH2 OT -0.834000 15.9994 0 24685 WAT 3066 TIP3 H1 HT 0.417000 1.0080 0 24686 WAT 3066 TIP3 H2 HT 0.417000 1.0080 0 24687 WAT 3067 TIP3 OH2 OT -0.834000 15.9994 0 24688 WAT 3067 TIP3 H1 HT 0.417000 1.0080 0 24689 WAT 3067 TIP3 H2 HT 0.417000 1.0080 0 24690 WAT 3068 TIP3 OH2 OT -0.834000 15.9994 0 24691 WAT 3068 TIP3 H1 HT 0.417000 1.0080 0 24692 WAT 3068 TIP3 H2 HT 0.417000 1.0080 0 24693 WAT 3069 TIP3 OH2 OT -0.834000 15.9994 0 24694 WAT 3069 TIP3 H1 HT 0.417000 1.0080 0 24695 WAT 3069 TIP3 H2 HT 0.417000 1.0080 0 24696 WAT 3070 TIP3 OH2 OT -0.834000 15.9994 0 24697 WAT 3070 TIP3 H1 HT 0.417000 1.0080 0 24698 WAT 3070 TIP3 H2 HT 0.417000 1.0080 0 24699 WAT 3071 TIP3 OH2 OT -0.834000 15.9994 0 24700 WAT 3071 TIP3 H1 HT 0.417000 1.0080 0 24701 WAT 3071 TIP3 H2 HT 0.417000 1.0080 0 24702 WAT 3072 TIP3 OH2 OT -0.834000 15.9994 0 24703 WAT 3072 TIP3 H1 HT 0.417000 1.0080 0 24704 WAT 3072 TIP3 H2 HT 0.417000 1.0080 0 24705 WAT 3073 TIP3 OH2 OT -0.834000 15.9994 0 24706 WAT 3073 TIP3 H1 HT 0.417000 1.0080 0 24707 WAT 3073 TIP3 H2 HT 0.417000 1.0080 0 24708 WAT 3074 TIP3 OH2 OT -0.834000 15.9994 0 24709 WAT 3074 TIP3 H1 HT 0.417000 1.0080 0 24710 WAT 3074 TIP3 H2 HT 0.417000 1.0080 0 24711 WAT 3075 TIP3 OH2 OT -0.834000 15.9994 0 24712 WAT 3075 TIP3 H1 HT 0.417000 1.0080 0 24713 WAT 3075 TIP3 H2 HT 0.417000 1.0080 0 24714 WAT 3076 TIP3 OH2 OT -0.834000 15.9994 0 24715 WAT 3076 TIP3 H1 HT 0.417000 1.0080 0 24716 WAT 3076 TIP3 H2 HT 0.417000 1.0080 0 24717 WAT 3077 TIP3 OH2 OT -0.834000 15.9994 0 24718 WAT 3077 TIP3 H1 HT 0.417000 1.0080 0 24719 WAT 3077 TIP3 H2 HT 0.417000 1.0080 0 24720 WAT 3078 TIP3 OH2 OT -0.834000 15.9994 0 24721 WAT 3078 TIP3 H1 HT 0.417000 1.0080 0 24722 WAT 3078 TIP3 H2 HT 0.417000 1.0080 0 24723 WAT 3079 TIP3 OH2 OT -0.834000 15.9994 0 24724 WAT 3079 TIP3 H1 HT 0.417000 1.0080 0 24725 WAT 3079 TIP3 H2 HT 0.417000 1.0080 0 24726 WAT 3080 TIP3 OH2 OT -0.834000 15.9994 0 24727 WAT 3080 TIP3 H1 HT 0.417000 1.0080 0 24728 WAT 3080 TIP3 H2 HT 0.417000 1.0080 0 24729 WAT 3081 TIP3 OH2 OT -0.834000 15.9994 0 24730 WAT 3081 TIP3 H1 HT 0.417000 1.0080 0 24731 WAT 3081 TIP3 H2 HT 0.417000 1.0080 0 24732 WAT 3082 TIP3 OH2 OT -0.834000 15.9994 0 24733 WAT 3082 TIP3 H1 HT 0.417000 1.0080 0 24734 WAT 3082 TIP3 H2 HT 0.417000 1.0080 0 24735 WAT 3083 TIP3 OH2 OT -0.834000 15.9994 0 24736 WAT 3083 TIP3 H1 HT 0.417000 1.0080 0 24737 WAT 3083 TIP3 H2 HT 0.417000 1.0080 0 24738 WAT 3084 TIP3 OH2 OT -0.834000 15.9994 0 24739 WAT 3084 TIP3 H1 HT 0.417000 1.0080 0 24740 WAT 3084 TIP3 H2 HT 0.417000 1.0080 0 24741 WAT 3085 TIP3 OH2 OT -0.834000 15.9994 0 24742 WAT 3085 TIP3 H1 HT 0.417000 1.0080 0 24743 WAT 3085 TIP3 H2 HT 0.417000 1.0080 0 24744 WAT 3086 TIP3 OH2 OT -0.834000 15.9994 0 24745 WAT 3086 TIP3 H1 HT 0.417000 1.0080 0 24746 WAT 3086 TIP3 H2 HT 0.417000 1.0080 0 24747 WAT 3087 TIP3 OH2 OT -0.834000 15.9994 0 24748 WAT 3087 TIP3 H1 HT 0.417000 1.0080 0 24749 WAT 3087 TIP3 H2 HT 0.417000 1.0080 0 24750 WAT 3088 TIP3 OH2 OT -0.834000 15.9994 0 24751 WAT 3088 TIP3 H1 HT 0.417000 1.0080 0 24752 WAT 3088 TIP3 H2 HT 0.417000 1.0080 0 24753 WAT 3089 TIP3 OH2 OT -0.834000 15.9994 0 24754 WAT 3089 TIP3 H1 HT 0.417000 1.0080 0 24755 WAT 3089 TIP3 H2 HT 0.417000 1.0080 0 24756 WAT 3090 TIP3 OH2 OT -0.834000 15.9994 0 24757 WAT 3090 TIP3 H1 HT 0.417000 1.0080 0 24758 WAT 3090 TIP3 H2 HT 0.417000 1.0080 0 24759 WAT 3091 TIP3 OH2 OT -0.834000 15.9994 0 24760 WAT 3091 TIP3 H1 HT 0.417000 1.0080 0 24761 WAT 3091 TIP3 H2 HT 0.417000 1.0080 0 24762 WAT 3092 TIP3 OH2 OT -0.834000 15.9994 0 24763 WAT 3092 TIP3 H1 HT 0.417000 1.0080 0 24764 WAT 3092 TIP3 H2 HT 0.417000 1.0080 0 24765 WAT 3093 TIP3 OH2 OT -0.834000 15.9994 0 24766 WAT 3093 TIP3 H1 HT 0.417000 1.0080 0 24767 WAT 3093 TIP3 H2 HT 0.417000 1.0080 0 24768 WAT 3094 TIP3 OH2 OT -0.834000 15.9994 0 24769 WAT 3094 TIP3 H1 HT 0.417000 1.0080 0 24770 WAT 3094 TIP3 H2 HT 0.417000 1.0080 0 24771 WAT 3095 TIP3 OH2 OT -0.834000 15.9994 0 24772 WAT 3095 TIP3 H1 HT 0.417000 1.0080 0 24773 WAT 3095 TIP3 H2 HT 0.417000 1.0080 0 24774 WAT 3096 TIP3 OH2 OT -0.834000 15.9994 0 24775 WAT 3096 TIP3 H1 HT 0.417000 1.0080 0 24776 WAT 3096 TIP3 H2 HT 0.417000 1.0080 0 24777 WAT 3097 TIP3 OH2 OT -0.834000 15.9994 0 24778 WAT 3097 TIP3 H1 HT 0.417000 1.0080 0 24779 WAT 3097 TIP3 H2 HT 0.417000 1.0080 0 24780 WAT 3098 TIP3 OH2 OT -0.834000 15.9994 0 24781 WAT 3098 TIP3 H1 HT 0.417000 1.0080 0 24782 WAT 3098 TIP3 H2 HT 0.417000 1.0080 0 24783 WAT 3099 TIP3 OH2 OT -0.834000 15.9994 0 24784 WAT 3099 TIP3 H1 HT 0.417000 1.0080 0 24785 WAT 3099 TIP3 H2 HT 0.417000 1.0080 0 24786 WAT 3100 TIP3 OH2 OT -0.834000 15.9994 0 24787 WAT 3100 TIP3 H1 HT 0.417000 1.0080 0 24788 WAT 3100 TIP3 H2 HT 0.417000 1.0080 0 24789 WAT 3101 TIP3 OH2 OT -0.834000 15.9994 0 24790 WAT 3101 TIP3 H1 HT 0.417000 1.0080 0 24791 WAT 3101 TIP3 H2 HT 0.417000 1.0080 0 24792 WAT 3102 TIP3 OH2 OT -0.834000 15.9994 0 24793 WAT 3102 TIP3 H1 HT 0.417000 1.0080 0 24794 WAT 3102 TIP3 H2 HT 0.417000 1.0080 0 24795 WAT 3103 TIP3 OH2 OT -0.834000 15.9994 0 24796 WAT 3103 TIP3 H1 HT 0.417000 1.0080 0 24797 WAT 3103 TIP3 H2 HT 0.417000 1.0080 0 24798 WAT 3104 TIP3 OH2 OT -0.834000 15.9994 0 24799 WAT 3104 TIP3 H1 HT 0.417000 1.0080 0 24800 WAT 3104 TIP3 H2 HT 0.417000 1.0080 0 24801 WAT 3105 TIP3 OH2 OT -0.834000 15.9994 0 24802 WAT 3105 TIP3 H1 HT 0.417000 1.0080 0 24803 WAT 3105 TIP3 H2 HT 0.417000 1.0080 0 24804 WAT 3106 TIP3 OH2 OT -0.834000 15.9994 0 24805 WAT 3106 TIP3 H1 HT 0.417000 1.0080 0 24806 WAT 3106 TIP3 H2 HT 0.417000 1.0080 0 24807 WAT 3107 TIP3 OH2 OT -0.834000 15.9994 0 24808 WAT 3107 TIP3 H1 HT 0.417000 1.0080 0 24809 WAT 3107 TIP3 H2 HT 0.417000 1.0080 0 24810 WAT 3108 TIP3 OH2 OT -0.834000 15.9994 0 24811 WAT 3108 TIP3 H1 HT 0.417000 1.0080 0 24812 WAT 3108 TIP3 H2 HT 0.417000 1.0080 0 24813 WAT 3109 TIP3 OH2 OT -0.834000 15.9994 0 24814 WAT 3109 TIP3 H1 HT 0.417000 1.0080 0 24815 WAT 3109 TIP3 H2 HT 0.417000 1.0080 0 24816 WAT 3110 TIP3 OH2 OT -0.834000 15.9994 0 24817 WAT 3110 TIP3 H1 HT 0.417000 1.0080 0 24818 WAT 3110 TIP3 H2 HT 0.417000 1.0080 0 24819 WAT 3111 TIP3 OH2 OT -0.834000 15.9994 0 24820 WAT 3111 TIP3 H1 HT 0.417000 1.0080 0 24821 WAT 3111 TIP3 H2 HT 0.417000 1.0080 0 24822 WAT 3112 TIP3 OH2 OT -0.834000 15.9994 0 24823 WAT 3112 TIP3 H1 HT 0.417000 1.0080 0 24824 WAT 3112 TIP3 H2 HT 0.417000 1.0080 0 24825 WAT 3113 TIP3 OH2 OT -0.834000 15.9994 0 24826 WAT 3113 TIP3 H1 HT 0.417000 1.0080 0 24827 WAT 3113 TIP3 H2 HT 0.417000 1.0080 0 24828 WAT 3114 TIP3 OH2 OT -0.834000 15.9994 0 24829 WAT 3114 TIP3 H1 HT 0.417000 1.0080 0 24830 WAT 3114 TIP3 H2 HT 0.417000 1.0080 0 24831 WAT 3115 TIP3 OH2 OT -0.834000 15.9994 0 24832 WAT 3115 TIP3 H1 HT 0.417000 1.0080 0 24833 WAT 3115 TIP3 H2 HT 0.417000 1.0080 0 24834 WAT 3116 TIP3 OH2 OT -0.834000 15.9994 0 24835 WAT 3116 TIP3 H1 HT 0.417000 1.0080 0 24836 WAT 3116 TIP3 H2 HT 0.417000 1.0080 0 24837 WAT 3117 TIP3 OH2 OT -0.834000 15.9994 0 24838 WAT 3117 TIP3 H1 HT 0.417000 1.0080 0 24839 WAT 3117 TIP3 H2 HT 0.417000 1.0080 0 24840 WAT 3118 TIP3 OH2 OT -0.834000 15.9994 0 24841 WAT 3118 TIP3 H1 HT 0.417000 1.0080 0 24842 WAT 3118 TIP3 H2 HT 0.417000 1.0080 0 24843 WAT 3119 TIP3 OH2 OT -0.834000 15.9994 0 24844 WAT 3119 TIP3 H1 HT 0.417000 1.0080 0 24845 WAT 3119 TIP3 H2 HT 0.417000 1.0080 0 24846 WAT 3120 TIP3 OH2 OT -0.834000 15.9994 0 24847 WAT 3120 TIP3 H1 HT 0.417000 1.0080 0 24848 WAT 3120 TIP3 H2 HT 0.417000 1.0080 0 24849 WAT 3121 TIP3 OH2 OT -0.834000 15.9994 0 24850 WAT 3121 TIP3 H1 HT 0.417000 1.0080 0 24851 WAT 3121 TIP3 H2 HT 0.417000 1.0080 0 24852 WAT 3122 TIP3 OH2 OT -0.834000 15.9994 0 24853 WAT 3122 TIP3 H1 HT 0.417000 1.0080 0 24854 WAT 3122 TIP3 H2 HT 0.417000 1.0080 0 24855 WAT 3123 TIP3 OH2 OT -0.834000 15.9994 0 24856 WAT 3123 TIP3 H1 HT 0.417000 1.0080 0 24857 WAT 3123 TIP3 H2 HT 0.417000 1.0080 0 24858 WAT 3124 TIP3 OH2 OT -0.834000 15.9994 0 24859 WAT 3124 TIP3 H1 HT 0.417000 1.0080 0 24860 WAT 3124 TIP3 H2 HT 0.417000 1.0080 0 24861 WAT 3125 TIP3 OH2 OT -0.834000 15.9994 0 24862 WAT 3125 TIP3 H1 HT 0.417000 1.0080 0 24863 WAT 3125 TIP3 H2 HT 0.417000 1.0080 0 24864 WAT 3126 TIP3 OH2 OT -0.834000 15.9994 0 24865 WAT 3126 TIP3 H1 HT 0.417000 1.0080 0 24866 WAT 3126 TIP3 H2 HT 0.417000 1.0080 0 24867 WAT 3127 TIP3 OH2 OT -0.834000 15.9994 0 24868 WAT 3127 TIP3 H1 HT 0.417000 1.0080 0 24869 WAT 3127 TIP3 H2 HT 0.417000 1.0080 0 24870 WAT 3128 TIP3 OH2 OT -0.834000 15.9994 0 24871 WAT 3128 TIP3 H1 HT 0.417000 1.0080 0 24872 WAT 3128 TIP3 H2 HT 0.417000 1.0080 0 24873 WAT 3129 TIP3 OH2 OT -0.834000 15.9994 0 24874 WAT 3129 TIP3 H1 HT 0.417000 1.0080 0 24875 WAT 3129 TIP3 H2 HT 0.417000 1.0080 0 24876 WAT 3130 TIP3 OH2 OT -0.834000 15.9994 0 24877 WAT 3130 TIP3 H1 HT 0.417000 1.0080 0 24878 WAT 3130 TIP3 H2 HT 0.417000 1.0080 0 24879 WAT 3131 TIP3 OH2 OT -0.834000 15.9994 0 24880 WAT 3131 TIP3 H1 HT 0.417000 1.0080 0 24881 WAT 3131 TIP3 H2 HT 0.417000 1.0080 0 24882 WAT 3132 TIP3 OH2 OT -0.834000 15.9994 0 24883 WAT 3132 TIP3 H1 HT 0.417000 1.0080 0 24884 WAT 3132 TIP3 H2 HT 0.417000 1.0080 0 24885 WAT 3133 TIP3 OH2 OT -0.834000 15.9994 0 24886 WAT 3133 TIP3 H1 HT 0.417000 1.0080 0 24887 WAT 3133 TIP3 H2 HT 0.417000 1.0080 0 24888 WAT 3134 TIP3 OH2 OT -0.834000 15.9994 0 24889 WAT 3134 TIP3 H1 HT 0.417000 1.0080 0 24890 WAT 3134 TIP3 H2 HT 0.417000 1.0080 0 24891 WAT 3135 TIP3 OH2 OT -0.834000 15.9994 0 24892 WAT 3135 TIP3 H1 HT 0.417000 1.0080 0 24893 WAT 3135 TIP3 H2 HT 0.417000 1.0080 0 24894 WAT 3136 TIP3 OH2 OT -0.834000 15.9994 0 24895 WAT 3136 TIP3 H1 HT 0.417000 1.0080 0 24896 WAT 3136 TIP3 H2 HT 0.417000 1.0080 0 24897 WAT 3137 TIP3 OH2 OT -0.834000 15.9994 0 24898 WAT 3137 TIP3 H1 HT 0.417000 1.0080 0 24899 WAT 3137 TIP3 H2 HT 0.417000 1.0080 0 24900 WAT 3138 TIP3 OH2 OT -0.834000 15.9994 0 24901 WAT 3138 TIP3 H1 HT 0.417000 1.0080 0 24902 WAT 3138 TIP3 H2 HT 0.417000 1.0080 0 24903 WAT 3139 TIP3 OH2 OT -0.834000 15.9994 0 24904 WAT 3139 TIP3 H1 HT 0.417000 1.0080 0 24905 WAT 3139 TIP3 H2 HT 0.417000 1.0080 0 24906 WAT 3140 TIP3 OH2 OT -0.834000 15.9994 0 24907 WAT 3140 TIP3 H1 HT 0.417000 1.0080 0 24908 WAT 3140 TIP3 H2 HT 0.417000 1.0080 0 24909 WAT 3141 TIP3 OH2 OT -0.834000 15.9994 0 24910 WAT 3141 TIP3 H1 HT 0.417000 1.0080 0 24911 WAT 3141 TIP3 H2 HT 0.417000 1.0080 0 24912 WAT 3142 TIP3 OH2 OT -0.834000 15.9994 0 24913 WAT 3142 TIP3 H1 HT 0.417000 1.0080 0 24914 WAT 3142 TIP3 H2 HT 0.417000 1.0080 0 24915 WAT 3143 TIP3 OH2 OT -0.834000 15.9994 0 24916 WAT 3143 TIP3 H1 HT 0.417000 1.0080 0 24917 WAT 3143 TIP3 H2 HT 0.417000 1.0080 0 24918 WAT 3144 TIP3 OH2 OT -0.834000 15.9994 0 24919 WAT 3144 TIP3 H1 HT 0.417000 1.0080 0 24920 WAT 3144 TIP3 H2 HT 0.417000 1.0080 0 24921 WAT 3145 TIP3 OH2 OT -0.834000 15.9994 0 24922 WAT 3145 TIP3 H1 HT 0.417000 1.0080 0 24923 WAT 3145 TIP3 H2 HT 0.417000 1.0080 0 24924 WAT 3146 TIP3 OH2 OT -0.834000 15.9994 0 24925 WAT 3146 TIP3 H1 HT 0.417000 1.0080 0 24926 WAT 3146 TIP3 H2 HT 0.417000 1.0080 0 24927 WAT 3147 TIP3 OH2 OT -0.834000 15.9994 0 24928 WAT 3147 TIP3 H1 HT 0.417000 1.0080 0 24929 WAT 3147 TIP3 H2 HT 0.417000 1.0080 0 24930 WAT 3148 TIP3 OH2 OT -0.834000 15.9994 0 24931 WAT 3148 TIP3 H1 HT 0.417000 1.0080 0 24932 WAT 3148 TIP3 H2 HT 0.417000 1.0080 0 24933 WAT 3149 TIP3 OH2 OT -0.834000 15.9994 0 24934 WAT 3149 TIP3 H1 HT 0.417000 1.0080 0 24935 WAT 3149 TIP3 H2 HT 0.417000 1.0080 0 24936 WAT 3150 TIP3 OH2 OT -0.834000 15.9994 0 24937 WAT 3150 TIP3 H1 HT 0.417000 1.0080 0 24938 WAT 3150 TIP3 H2 HT 0.417000 1.0080 0 24939 WAT 3151 TIP3 OH2 OT -0.834000 15.9994 0 24940 WAT 3151 TIP3 H1 HT 0.417000 1.0080 0 24941 WAT 3151 TIP3 H2 HT 0.417000 1.0080 0 24942 WAT 3152 TIP3 OH2 OT -0.834000 15.9994 0 24943 WAT 3152 TIP3 H1 HT 0.417000 1.0080 0 24944 WAT 3152 TIP3 H2 HT 0.417000 1.0080 0 24945 WAT 3153 TIP3 OH2 OT -0.834000 15.9994 0 24946 WAT 3153 TIP3 H1 HT 0.417000 1.0080 0 24947 WAT 3153 TIP3 H2 HT 0.417000 1.0080 0 24948 WAT 3154 TIP3 OH2 OT -0.834000 15.9994 0 24949 WAT 3154 TIP3 H1 HT 0.417000 1.0080 0 24950 WAT 3154 TIP3 H2 HT 0.417000 1.0080 0 24951 WAT 3155 TIP3 OH2 OT -0.834000 15.9994 0 24952 WAT 3155 TIP3 H1 HT 0.417000 1.0080 0 24953 WAT 3155 TIP3 H2 HT 0.417000 1.0080 0 24954 WAT 3156 TIP3 OH2 OT -0.834000 15.9994 0 24955 WAT 3156 TIP3 H1 HT 0.417000 1.0080 0 24956 WAT 3156 TIP3 H2 HT 0.417000 1.0080 0 24957 WAT 3157 TIP3 OH2 OT -0.834000 15.9994 0 24958 WAT 3157 TIP3 H1 HT 0.417000 1.0080 0 24959 WAT 3157 TIP3 H2 HT 0.417000 1.0080 0 24960 WAT 3158 TIP3 OH2 OT -0.834000 15.9994 0 24961 WAT 3158 TIP3 H1 HT 0.417000 1.0080 0 24962 WAT 3158 TIP3 H2 HT 0.417000 1.0080 0 24963 WAT 3159 TIP3 OH2 OT -0.834000 15.9994 0 24964 WAT 3159 TIP3 H1 HT 0.417000 1.0080 0 24965 WAT 3159 TIP3 H2 HT 0.417000 1.0080 0 24966 WAT 3160 TIP3 OH2 OT -0.834000 15.9994 0 24967 WAT 3160 TIP3 H1 HT 0.417000 1.0080 0 24968 WAT 3160 TIP3 H2 HT 0.417000 1.0080 0 24969 WAT 3161 TIP3 OH2 OT -0.834000 15.9994 0 24970 WAT 3161 TIP3 H1 HT 0.417000 1.0080 0 24971 WAT 3161 TIP3 H2 HT 0.417000 1.0080 0 24972 WAT 3162 TIP3 OH2 OT -0.834000 15.9994 0 24973 WAT 3162 TIP3 H1 HT 0.417000 1.0080 0 24974 WAT 3162 TIP3 H2 HT 0.417000 1.0080 0 24975 WAT 3163 TIP3 OH2 OT -0.834000 15.9994 0 24976 WAT 3163 TIP3 H1 HT 0.417000 1.0080 0 24977 WAT 3163 TIP3 H2 HT 0.417000 1.0080 0 24978 WAT 3164 TIP3 OH2 OT -0.834000 15.9994 0 24979 WAT 3164 TIP3 H1 HT 0.417000 1.0080 0 24980 WAT 3164 TIP3 H2 HT 0.417000 1.0080 0 24981 WAT 3165 TIP3 OH2 OT -0.834000 15.9994 0 24982 WAT 3165 TIP3 H1 HT 0.417000 1.0080 0 24983 WAT 3165 TIP3 H2 HT 0.417000 1.0080 0 24984 WAT 3166 TIP3 OH2 OT -0.834000 15.9994 0 24985 WAT 3166 TIP3 H1 HT 0.417000 1.0080 0 24986 WAT 3166 TIP3 H2 HT 0.417000 1.0080 0 24987 WAT 3167 TIP3 OH2 OT -0.834000 15.9994 0 24988 WAT 3167 TIP3 H1 HT 0.417000 1.0080 0 24989 WAT 3167 TIP3 H2 HT 0.417000 1.0080 0 24990 WAT 3168 TIP3 OH2 OT -0.834000 15.9994 0 24991 WAT 3168 TIP3 H1 HT 0.417000 1.0080 0 24992 WAT 3168 TIP3 H2 HT 0.417000 1.0080 0 24993 WAT 3169 TIP3 OH2 OT -0.834000 15.9994 0 24994 WAT 3169 TIP3 H1 HT 0.417000 1.0080 0 24995 WAT 3169 TIP3 H2 HT 0.417000 1.0080 0 24996 WAT 3170 TIP3 OH2 OT -0.834000 15.9994 0 24997 WAT 3170 TIP3 H1 HT 0.417000 1.0080 0 24998 WAT 3170 TIP3 H2 HT 0.417000 1.0080 0 24999 WAT 3171 TIP3 OH2 OT -0.834000 15.9994 0 25000 WAT 3171 TIP3 H1 HT 0.417000 1.0080 0 25001 WAT 3171 TIP3 H2 HT 0.417000 1.0080 0 25002 WAT 3172 TIP3 OH2 OT -0.834000 15.9994 0 25003 WAT 3172 TIP3 H1 HT 0.417000 1.0080 0 25004 WAT 3172 TIP3 H2 HT 0.417000 1.0080 0 25005 WAT 3173 TIP3 OH2 OT -0.834000 15.9994 0 25006 WAT 3173 TIP3 H1 HT 0.417000 1.0080 0 25007 WAT 3173 TIP3 H2 HT 0.417000 1.0080 0 25008 WAT 3174 TIP3 OH2 OT -0.834000 15.9994 0 25009 WAT 3174 TIP3 H1 HT 0.417000 1.0080 0 25010 WAT 3174 TIP3 H2 HT 0.417000 1.0080 0 25011 WAT 3175 TIP3 OH2 OT -0.834000 15.9994 0 25012 WAT 3175 TIP3 H1 HT 0.417000 1.0080 0 25013 WAT 3175 TIP3 H2 HT 0.417000 1.0080 0 25014 WAT 3176 TIP3 OH2 OT -0.834000 15.9994 0 25015 WAT 3176 TIP3 H1 HT 0.417000 1.0080 0 25016 WAT 3176 TIP3 H2 HT 0.417000 1.0080 0 25017 WAT 3177 TIP3 OH2 OT -0.834000 15.9994 0 25018 WAT 3177 TIP3 H1 HT 0.417000 1.0080 0 25019 WAT 3177 TIP3 H2 HT 0.417000 1.0080 0 25020 WAT 3178 TIP3 OH2 OT -0.834000 15.9994 0 25021 WAT 3178 TIP3 H1 HT 0.417000 1.0080 0 25022 WAT 3178 TIP3 H2 HT 0.417000 1.0080 0 25023 WAT 3179 TIP3 OH2 OT -0.834000 15.9994 0 25024 WAT 3179 TIP3 H1 HT 0.417000 1.0080 0 25025 WAT 3179 TIP3 H2 HT 0.417000 1.0080 0 25026 WAT 3180 TIP3 OH2 OT -0.834000 15.9994 0 25027 WAT 3180 TIP3 H1 HT 0.417000 1.0080 0 25028 WAT 3180 TIP3 H2 HT 0.417000 1.0080 0 25029 WAT 3181 TIP3 OH2 OT -0.834000 15.9994 0 25030 WAT 3181 TIP3 H1 HT 0.417000 1.0080 0 25031 WAT 3181 TIP3 H2 HT 0.417000 1.0080 0 25032 WAT 3182 TIP3 OH2 OT -0.834000 15.9994 0 25033 WAT 3182 TIP3 H1 HT 0.417000 1.0080 0 25034 WAT 3182 TIP3 H2 HT 0.417000 1.0080 0 25035 WAT 3183 TIP3 OH2 OT -0.834000 15.9994 0 25036 WAT 3183 TIP3 H1 HT 0.417000 1.0080 0 25037 WAT 3183 TIP3 H2 HT 0.417000 1.0080 0 25038 WAT 3184 TIP3 OH2 OT -0.834000 15.9994 0 25039 WAT 3184 TIP3 H1 HT 0.417000 1.0080 0 25040 WAT 3184 TIP3 H2 HT 0.417000 1.0080 0 25041 WAT 3185 TIP3 OH2 OT -0.834000 15.9994 0 25042 WAT 3185 TIP3 H1 HT 0.417000 1.0080 0 25043 WAT 3185 TIP3 H2 HT 0.417000 1.0080 0 25044 WAT 3186 TIP3 OH2 OT -0.834000 15.9994 0 25045 WAT 3186 TIP3 H1 HT 0.417000 1.0080 0 25046 WAT 3186 TIP3 H2 HT 0.417000 1.0080 0 25047 WAT 3187 TIP3 OH2 OT -0.834000 15.9994 0 25048 WAT 3187 TIP3 H1 HT 0.417000 1.0080 0 25049 WAT 3187 TIP3 H2 HT 0.417000 1.0080 0 25050 WAT 3188 TIP3 OH2 OT -0.834000 15.9994 0 25051 WAT 3188 TIP3 H1 HT 0.417000 1.0080 0 25052 WAT 3188 TIP3 H2 HT 0.417000 1.0080 0 25053 WAT 3189 TIP3 OH2 OT -0.834000 15.9994 0 25054 WAT 3189 TIP3 H1 HT 0.417000 1.0080 0 25055 WAT 3189 TIP3 H2 HT 0.417000 1.0080 0 25056 WAT 3190 TIP3 OH2 OT -0.834000 15.9994 0 25057 WAT 3190 TIP3 H1 HT 0.417000 1.0080 0 25058 WAT 3190 TIP3 H2 HT 0.417000 1.0080 0 25059 WAT 3191 TIP3 OH2 OT -0.834000 15.9994 0 25060 WAT 3191 TIP3 H1 HT 0.417000 1.0080 0 25061 WAT 3191 TIP3 H2 HT 0.417000 1.0080 0 25062 WAT 3192 TIP3 OH2 OT -0.834000 15.9994 0 25063 WAT 3192 TIP3 H1 HT 0.417000 1.0080 0 25064 WAT 3192 TIP3 H2 HT 0.417000 1.0080 0 25065 WAT 3193 TIP3 OH2 OT -0.834000 15.9994 0 25066 WAT 3193 TIP3 H1 HT 0.417000 1.0080 0 25067 WAT 3193 TIP3 H2 HT 0.417000 1.0080 0 25068 WAT 3194 TIP3 OH2 OT -0.834000 15.9994 0 25069 WAT 3194 TIP3 H1 HT 0.417000 1.0080 0 25070 WAT 3194 TIP3 H2 HT 0.417000 1.0080 0 25071 WAT 3195 TIP3 OH2 OT -0.834000 15.9994 0 25072 WAT 3195 TIP3 H1 HT 0.417000 1.0080 0 25073 WAT 3195 TIP3 H2 HT 0.417000 1.0080 0 25074 WAT 3196 TIP3 OH2 OT -0.834000 15.9994 0 25075 WAT 3196 TIP3 H1 HT 0.417000 1.0080 0 25076 WAT 3196 TIP3 H2 HT 0.417000 1.0080 0 25077 WAT 3197 TIP3 OH2 OT -0.834000 15.9994 0 25078 WAT 3197 TIP3 H1 HT 0.417000 1.0080 0 25079 WAT 3197 TIP3 H2 HT 0.417000 1.0080 0 25080 WAT 3198 TIP3 OH2 OT -0.834000 15.9994 0 25081 WAT 3198 TIP3 H1 HT 0.417000 1.0080 0 25082 WAT 3198 TIP3 H2 HT 0.417000 1.0080 0 25083 WAT 3199 TIP3 OH2 OT -0.834000 15.9994 0 25084 WAT 3199 TIP3 H1 HT 0.417000 1.0080 0 25085 WAT 3199 TIP3 H2 HT 0.417000 1.0080 0 25086 WAT 3200 TIP3 OH2 OT -0.834000 15.9994 0 25087 WAT 3200 TIP3 H1 HT 0.417000 1.0080 0 25088 WAT 3200 TIP3 H2 HT 0.417000 1.0080 0 25089 WAT 3201 TIP3 OH2 OT -0.834000 15.9994 0 25090 WAT 3201 TIP3 H1 HT 0.417000 1.0080 0 25091 WAT 3201 TIP3 H2 HT 0.417000 1.0080 0 25092 WAT 3202 TIP3 OH2 OT -0.834000 15.9994 0 25093 WAT 3202 TIP3 H1 HT 0.417000 1.0080 0 25094 WAT 3202 TIP3 H2 HT 0.417000 1.0080 0 25095 WAT 3203 TIP3 OH2 OT -0.834000 15.9994 0 25096 WAT 3203 TIP3 H1 HT 0.417000 1.0080 0 25097 WAT 3203 TIP3 H2 HT 0.417000 1.0080 0 25098 WAT 3204 TIP3 OH2 OT -0.834000 15.9994 0 25099 WAT 3204 TIP3 H1 HT 0.417000 1.0080 0 25100 WAT 3204 TIP3 H2 HT 0.417000 1.0080 0 25101 WAT 3205 TIP3 OH2 OT -0.834000 15.9994 0 25102 WAT 3205 TIP3 H1 HT 0.417000 1.0080 0 25103 WAT 3205 TIP3 H2 HT 0.417000 1.0080 0 25104 WAT 3206 TIP3 OH2 OT -0.834000 15.9994 0 25105 WAT 3206 TIP3 H1 HT 0.417000 1.0080 0 25106 WAT 3206 TIP3 H2 HT 0.417000 1.0080 0 25107 WAT 3207 TIP3 OH2 OT -0.834000 15.9994 0 25108 WAT 3207 TIP3 H1 HT 0.417000 1.0080 0 25109 WAT 3207 TIP3 H2 HT 0.417000 1.0080 0 25110 WAT 3208 TIP3 OH2 OT -0.834000 15.9994 0 25111 WAT 3208 TIP3 H1 HT 0.417000 1.0080 0 25112 WAT 3208 TIP3 H2 HT 0.417000 1.0080 0 25113 WAT 3209 TIP3 OH2 OT -0.834000 15.9994 0 25114 WAT 3209 TIP3 H1 HT 0.417000 1.0080 0 25115 WAT 3209 TIP3 H2 HT 0.417000 1.0080 0 25116 WAT 3210 TIP3 OH2 OT -0.834000 15.9994 0 25117 WAT 3210 TIP3 H1 HT 0.417000 1.0080 0 25118 WAT 3210 TIP3 H2 HT 0.417000 1.0080 0 25119 WAT 3211 TIP3 OH2 OT -0.834000 15.9994 0 25120 WAT 3211 TIP3 H1 HT 0.417000 1.0080 0 25121 WAT 3211 TIP3 H2 HT 0.417000 1.0080 0 25122 WAT 3212 TIP3 OH2 OT -0.834000 15.9994 0 25123 WAT 3212 TIP3 H1 HT 0.417000 1.0080 0 25124 WAT 3212 TIP3 H2 HT 0.417000 1.0080 0 25125 WAT 3213 TIP3 OH2 OT -0.834000 15.9994 0 25126 WAT 3213 TIP3 H1 HT 0.417000 1.0080 0 25127 WAT 3213 TIP3 H2 HT 0.417000 1.0080 0 25128 WAT 3214 TIP3 OH2 OT -0.834000 15.9994 0 25129 WAT 3214 TIP3 H1 HT 0.417000 1.0080 0 25130 WAT 3214 TIP3 H2 HT 0.417000 1.0080 0 25131 WAT 3215 TIP3 OH2 OT -0.834000 15.9994 0 25132 WAT 3215 TIP3 H1 HT 0.417000 1.0080 0 25133 WAT 3215 TIP3 H2 HT 0.417000 1.0080 0 25134 WAT 3216 TIP3 OH2 OT -0.834000 15.9994 0 25135 WAT 3216 TIP3 H1 HT 0.417000 1.0080 0 25136 WAT 3216 TIP3 H2 HT 0.417000 1.0080 0 25137 WAT 3217 TIP3 OH2 OT -0.834000 15.9994 0 25138 WAT 3217 TIP3 H1 HT 0.417000 1.0080 0 25139 WAT 3217 TIP3 H2 HT 0.417000 1.0080 0 25140 WAT 3218 TIP3 OH2 OT -0.834000 15.9994 0 25141 WAT 3218 TIP3 H1 HT 0.417000 1.0080 0 25142 WAT 3218 TIP3 H2 HT 0.417000 1.0080 0 25143 WAT 3219 TIP3 OH2 OT -0.834000 15.9994 0 25144 WAT 3219 TIP3 H1 HT 0.417000 1.0080 0 25145 WAT 3219 TIP3 H2 HT 0.417000 1.0080 0 25146 WAT 3220 TIP3 OH2 OT -0.834000 15.9994 0 25147 WAT 3220 TIP3 H1 HT 0.417000 1.0080 0 25148 WAT 3220 TIP3 H2 HT 0.417000 1.0080 0 25149 WAT 3221 TIP3 OH2 OT -0.834000 15.9994 0 25150 WAT 3221 TIP3 H1 HT 0.417000 1.0080 0 25151 WAT 3221 TIP3 H2 HT 0.417000 1.0080 0 25152 WAT 3222 TIP3 OH2 OT -0.834000 15.9994 0 25153 WAT 3222 TIP3 H1 HT 0.417000 1.0080 0 25154 WAT 3222 TIP3 H2 HT 0.417000 1.0080 0 25155 WAT 3223 TIP3 OH2 OT -0.834000 15.9994 0 25156 WAT 3223 TIP3 H1 HT 0.417000 1.0080 0 25157 WAT 3223 TIP3 H2 HT 0.417000 1.0080 0 25158 WAT 3224 TIP3 OH2 OT -0.834000 15.9994 0 25159 WAT 3224 TIP3 H1 HT 0.417000 1.0080 0 25160 WAT 3224 TIP3 H2 HT 0.417000 1.0080 0 25161 WAT 3225 TIP3 OH2 OT -0.834000 15.9994 0 25162 WAT 3225 TIP3 H1 HT 0.417000 1.0080 0 25163 WAT 3225 TIP3 H2 HT 0.417000 1.0080 0 25164 WAT 3226 TIP3 OH2 OT -0.834000 15.9994 0 25165 WAT 3226 TIP3 H1 HT 0.417000 1.0080 0 25166 WAT 3226 TIP3 H2 HT 0.417000 1.0080 0 25167 WAT 3227 TIP3 OH2 OT -0.834000 15.9994 0 25168 WAT 3227 TIP3 H1 HT 0.417000 1.0080 0 25169 WAT 3227 TIP3 H2 HT 0.417000 1.0080 0 25170 WAT 3228 TIP3 OH2 OT -0.834000 15.9994 0 25171 WAT 3228 TIP3 H1 HT 0.417000 1.0080 0 25172 WAT 3228 TIP3 H2 HT 0.417000 1.0080 0 25173 WAT 3229 TIP3 OH2 OT -0.834000 15.9994 0 25174 WAT 3229 TIP3 H1 HT 0.417000 1.0080 0 25175 WAT 3229 TIP3 H2 HT 0.417000 1.0080 0 25176 WAT 3230 TIP3 OH2 OT -0.834000 15.9994 0 25177 WAT 3230 TIP3 H1 HT 0.417000 1.0080 0 25178 WAT 3230 TIP3 H2 HT 0.417000 1.0080 0 25179 WAT 3231 TIP3 OH2 OT -0.834000 15.9994 0 25180 WAT 3231 TIP3 H1 HT 0.417000 1.0080 0 25181 WAT 3231 TIP3 H2 HT 0.417000 1.0080 0 25182 WAT 3232 TIP3 OH2 OT -0.834000 15.9994 0 25183 WAT 3232 TIP3 H1 HT 0.417000 1.0080 0 25184 WAT 3232 TIP3 H2 HT 0.417000 1.0080 0 25185 WAT 3233 TIP3 OH2 OT -0.834000 15.9994 0 25186 WAT 3233 TIP3 H1 HT 0.417000 1.0080 0 25187 WAT 3233 TIP3 H2 HT 0.417000 1.0080 0 25188 WAT 3234 TIP3 OH2 OT -0.834000 15.9994 0 25189 WAT 3234 TIP3 H1 HT 0.417000 1.0080 0 25190 WAT 3234 TIP3 H2 HT 0.417000 1.0080 0 25191 WAT 3235 TIP3 OH2 OT -0.834000 15.9994 0 25192 WAT 3235 TIP3 H1 HT 0.417000 1.0080 0 25193 WAT 3235 TIP3 H2 HT 0.417000 1.0080 0 25194 WAT 3236 TIP3 OH2 OT -0.834000 15.9994 0 25195 WAT 3236 TIP3 H1 HT 0.417000 1.0080 0 25196 WAT 3236 TIP3 H2 HT 0.417000 1.0080 0 25197 WAT 3237 TIP3 OH2 OT -0.834000 15.9994 0 25198 WAT 3237 TIP3 H1 HT 0.417000 1.0080 0 25199 WAT 3237 TIP3 H2 HT 0.417000 1.0080 0 25200 WAT 3238 TIP3 OH2 OT -0.834000 15.9994 0 25201 WAT 3238 TIP3 H1 HT 0.417000 1.0080 0 25202 WAT 3238 TIP3 H2 HT 0.417000 1.0080 0 25203 WAT 3239 TIP3 OH2 OT -0.834000 15.9994 0 25204 WAT 3239 TIP3 H1 HT 0.417000 1.0080 0 25205 WAT 3239 TIP3 H2 HT 0.417000 1.0080 0 25206 WAT 3240 TIP3 OH2 OT -0.834000 15.9994 0 25207 WAT 3240 TIP3 H1 HT 0.417000 1.0080 0 25208 WAT 3240 TIP3 H2 HT 0.417000 1.0080 0 25209 WAT 3241 TIP3 OH2 OT -0.834000 15.9994 0 25210 WAT 3241 TIP3 H1 HT 0.417000 1.0080 0 25211 WAT 3241 TIP3 H2 HT 0.417000 1.0080 0 25212 WAT 3242 TIP3 OH2 OT -0.834000 15.9994 0 25213 WAT 3242 TIP3 H1 HT 0.417000 1.0080 0 25214 WAT 3242 TIP3 H2 HT 0.417000 1.0080 0 25215 WAT 3243 TIP3 OH2 OT -0.834000 15.9994 0 25216 WAT 3243 TIP3 H1 HT 0.417000 1.0080 0 25217 WAT 3243 TIP3 H2 HT 0.417000 1.0080 0 25218 WAT 3244 TIP3 OH2 OT -0.834000 15.9994 0 25219 WAT 3244 TIP3 H1 HT 0.417000 1.0080 0 25220 WAT 3244 TIP3 H2 HT 0.417000 1.0080 0 25221 WAT 3245 TIP3 OH2 OT -0.834000 15.9994 0 25222 WAT 3245 TIP3 H1 HT 0.417000 1.0080 0 25223 WAT 3245 TIP3 H2 HT 0.417000 1.0080 0 25224 WAT 3246 TIP3 OH2 OT -0.834000 15.9994 0 25225 WAT 3246 TIP3 H1 HT 0.417000 1.0080 0 25226 WAT 3246 TIP3 H2 HT 0.417000 1.0080 0 25227 WAT 3247 TIP3 OH2 OT -0.834000 15.9994 0 25228 WAT 3247 TIP3 H1 HT 0.417000 1.0080 0 25229 WAT 3247 TIP3 H2 HT 0.417000 1.0080 0 25230 WAT 3248 TIP3 OH2 OT -0.834000 15.9994 0 25231 WAT 3248 TIP3 H1 HT 0.417000 1.0080 0 25232 WAT 3248 TIP3 H2 HT 0.417000 1.0080 0 25233 WAT 3249 TIP3 OH2 OT -0.834000 15.9994 0 25234 WAT 3249 TIP3 H1 HT 0.417000 1.0080 0 25235 WAT 3249 TIP3 H2 HT 0.417000 1.0080 0 25236 WAT 3250 TIP3 OH2 OT -0.834000 15.9994 0 25237 WAT 3250 TIP3 H1 HT 0.417000 1.0080 0 25238 WAT 3250 TIP3 H2 HT 0.417000 1.0080 0 25239 WAT 3251 TIP3 OH2 OT -0.834000 15.9994 0 25240 WAT 3251 TIP3 H1 HT 0.417000 1.0080 0 25241 WAT 3251 TIP3 H2 HT 0.417000 1.0080 0 25242 WAT 3252 TIP3 OH2 OT -0.834000 15.9994 0 25243 WAT 3252 TIP3 H1 HT 0.417000 1.0080 0 25244 WAT 3252 TIP3 H2 HT 0.417000 1.0080 0 25245 WAT 3253 TIP3 OH2 OT -0.834000 15.9994 0 25246 WAT 3253 TIP3 H1 HT 0.417000 1.0080 0 25247 WAT 3253 TIP3 H2 HT 0.417000 1.0080 0 25248 WAT 3254 TIP3 OH2 OT -0.834000 15.9994 0 25249 WAT 3254 TIP3 H1 HT 0.417000 1.0080 0 25250 WAT 3254 TIP3 H2 HT 0.417000 1.0080 0 25251 WAT 3255 TIP3 OH2 OT -0.834000 15.9994 0 25252 WAT 3255 TIP3 H1 HT 0.417000 1.0080 0 25253 WAT 3255 TIP3 H2 HT 0.417000 1.0080 0 25254 WAT 3256 TIP3 OH2 OT -0.834000 15.9994 0 25255 WAT 3256 TIP3 H1 HT 0.417000 1.0080 0 25256 WAT 3256 TIP3 H2 HT 0.417000 1.0080 0 25257 WAT 3257 TIP3 OH2 OT -0.834000 15.9994 0 25258 WAT 3257 TIP3 H1 HT 0.417000 1.0080 0 25259 WAT 3257 TIP3 H2 HT 0.417000 1.0080 0 25260 WAT 3258 TIP3 OH2 OT -0.834000 15.9994 0 25261 WAT 3258 TIP3 H1 HT 0.417000 1.0080 0 25262 WAT 3258 TIP3 H2 HT 0.417000 1.0080 0 25263 WAT 3259 TIP3 OH2 OT -0.834000 15.9994 0 25264 WAT 3259 TIP3 H1 HT 0.417000 1.0080 0 25265 WAT 3259 TIP3 H2 HT 0.417000 1.0080 0 25266 WAT 3260 TIP3 OH2 OT -0.834000 15.9994 0 25267 WAT 3260 TIP3 H1 HT 0.417000 1.0080 0 25268 WAT 3260 TIP3 H2 HT 0.417000 1.0080 0 25269 WAT 3261 TIP3 OH2 OT -0.834000 15.9994 0 25270 WAT 3261 TIP3 H1 HT 0.417000 1.0080 0 25271 WAT 3261 TIP3 H2 HT 0.417000 1.0080 0 25272 WAT 3262 TIP3 OH2 OT -0.834000 15.9994 0 25273 WAT 3262 TIP3 H1 HT 0.417000 1.0080 0 25274 WAT 3262 TIP3 H2 HT 0.417000 1.0080 0 25275 WAT 3263 TIP3 OH2 OT -0.834000 15.9994 0 25276 WAT 3263 TIP3 H1 HT 0.417000 1.0080 0 25277 WAT 3263 TIP3 H2 HT 0.417000 1.0080 0 25278 WAT 3264 TIP3 OH2 OT -0.834000 15.9994 0 25279 WAT 3264 TIP3 H1 HT 0.417000 1.0080 0 25280 WAT 3264 TIP3 H2 HT 0.417000 1.0080 0 25281 WAT 3265 TIP3 OH2 OT -0.834000 15.9994 0 25282 WAT 3265 TIP3 H1 HT 0.417000 1.0080 0 25283 WAT 3265 TIP3 H2 HT 0.417000 1.0080 0 25284 WAT 3266 TIP3 OH2 OT -0.834000 15.9994 0 25285 WAT 3266 TIP3 H1 HT 0.417000 1.0080 0 25286 WAT 3266 TIP3 H2 HT 0.417000 1.0080 0 25287 WAT 3267 TIP3 OH2 OT -0.834000 15.9994 0 25288 WAT 3267 TIP3 H1 HT 0.417000 1.0080 0 25289 WAT 3267 TIP3 H2 HT 0.417000 1.0080 0 25290 WAT 3268 TIP3 OH2 OT -0.834000 15.9994 0 25291 WAT 3268 TIP3 H1 HT 0.417000 1.0080 0 25292 WAT 3268 TIP3 H2 HT 0.417000 1.0080 0 25293 WAT 3269 TIP3 OH2 OT -0.834000 15.9994 0 25294 WAT 3269 TIP3 H1 HT 0.417000 1.0080 0 25295 WAT 3269 TIP3 H2 HT 0.417000 1.0080 0 25296 WAT 3270 TIP3 OH2 OT -0.834000 15.9994 0 25297 WAT 3270 TIP3 H1 HT 0.417000 1.0080 0 25298 WAT 3270 TIP3 H2 HT 0.417000 1.0080 0 25299 WAT 3271 TIP3 OH2 OT -0.834000 15.9994 0 25300 WAT 3271 TIP3 H1 HT 0.417000 1.0080 0 25301 WAT 3271 TIP3 H2 HT 0.417000 1.0080 0 25302 WAT 3272 TIP3 OH2 OT -0.834000 15.9994 0 25303 WAT 3272 TIP3 H1 HT 0.417000 1.0080 0 25304 WAT 3272 TIP3 H2 HT 0.417000 1.0080 0 25305 WAT 3273 TIP3 OH2 OT -0.834000 15.9994 0 25306 WAT 3273 TIP3 H1 HT 0.417000 1.0080 0 25307 WAT 3273 TIP3 H2 HT 0.417000 1.0080 0 25308 WAT 3274 TIP3 OH2 OT -0.834000 15.9994 0 25309 WAT 3274 TIP3 H1 HT 0.417000 1.0080 0 25310 WAT 3274 TIP3 H2 HT 0.417000 1.0080 0 25311 WAT 3275 TIP3 OH2 OT -0.834000 15.9994 0 25312 WAT 3275 TIP3 H1 HT 0.417000 1.0080 0 25313 WAT 3275 TIP3 H2 HT 0.417000 1.0080 0 25314 WAT 3276 TIP3 OH2 OT -0.834000 15.9994 0 25315 WAT 3276 TIP3 H1 HT 0.417000 1.0080 0 25316 WAT 3276 TIP3 H2 HT 0.417000 1.0080 0 25317 WAT 3277 TIP3 OH2 OT -0.834000 15.9994 0 25318 WAT 3277 TIP3 H1 HT 0.417000 1.0080 0 25319 WAT 3277 TIP3 H2 HT 0.417000 1.0080 0 25320 WAT 3278 TIP3 OH2 OT -0.834000 15.9994 0 25321 WAT 3278 TIP3 H1 HT 0.417000 1.0080 0 25322 WAT 3278 TIP3 H2 HT 0.417000 1.0080 0 25323 WAT 3279 TIP3 OH2 OT -0.834000 15.9994 0 25324 WAT 3279 TIP3 H1 HT 0.417000 1.0080 0 25325 WAT 3279 TIP3 H2 HT 0.417000 1.0080 0 25326 WAT 3280 TIP3 OH2 OT -0.834000 15.9994 0 25327 WAT 3280 TIP3 H1 HT 0.417000 1.0080 0 25328 WAT 3280 TIP3 H2 HT 0.417000 1.0080 0 25329 WAT 3281 TIP3 OH2 OT -0.834000 15.9994 0 25330 WAT 3281 TIP3 H1 HT 0.417000 1.0080 0 25331 WAT 3281 TIP3 H2 HT 0.417000 1.0080 0 25332 WAT 3282 TIP3 OH2 OT -0.834000 15.9994 0 25333 WAT 3282 TIP3 H1 HT 0.417000 1.0080 0 25334 WAT 3282 TIP3 H2 HT 0.417000 1.0080 0 25335 WAT 3283 TIP3 OH2 OT -0.834000 15.9994 0 25336 WAT 3283 TIP3 H1 HT 0.417000 1.0080 0 25337 WAT 3283 TIP3 H2 HT 0.417000 1.0080 0 25338 WAT 3284 TIP3 OH2 OT -0.834000 15.9994 0 25339 WAT 3284 TIP3 H1 HT 0.417000 1.0080 0 25340 WAT 3284 TIP3 H2 HT 0.417000 1.0080 0 25341 WAT 3285 TIP3 OH2 OT -0.834000 15.9994 0 25342 WAT 3285 TIP3 H1 HT 0.417000 1.0080 0 25343 WAT 3285 TIP3 H2 HT 0.417000 1.0080 0 25344 WAT 3286 TIP3 OH2 OT -0.834000 15.9994 0 25345 WAT 3286 TIP3 H1 HT 0.417000 1.0080 0 25346 WAT 3286 TIP3 H2 HT 0.417000 1.0080 0 25347 WAT 3287 TIP3 OH2 OT -0.834000 15.9994 0 25348 WAT 3287 TIP3 H1 HT 0.417000 1.0080 0 25349 WAT 3287 TIP3 H2 HT 0.417000 1.0080 0 25350 WAT 3288 TIP3 OH2 OT -0.834000 15.9994 0 25351 WAT 3288 TIP3 H1 HT 0.417000 1.0080 0 25352 WAT 3288 TIP3 H2 HT 0.417000 1.0080 0 25353 WAT 3289 TIP3 OH2 OT -0.834000 15.9994 0 25354 WAT 3289 TIP3 H1 HT 0.417000 1.0080 0 25355 WAT 3289 TIP3 H2 HT 0.417000 1.0080 0 25356 WAT 3290 TIP3 OH2 OT -0.834000 15.9994 0 25357 WAT 3290 TIP3 H1 HT 0.417000 1.0080 0 25358 WAT 3290 TIP3 H2 HT 0.417000 1.0080 0 25359 WAT 3291 TIP3 OH2 OT -0.834000 15.9994 0 25360 WAT 3291 TIP3 H1 HT 0.417000 1.0080 0 25361 WAT 3291 TIP3 H2 HT 0.417000 1.0080 0 25362 WAT 3292 TIP3 OH2 OT -0.834000 15.9994 0 25363 WAT 3292 TIP3 H1 HT 0.417000 1.0080 0 25364 WAT 3292 TIP3 H2 HT 0.417000 1.0080 0 25365 WAT 3293 TIP3 OH2 OT -0.834000 15.9994 0 25366 WAT 3293 TIP3 H1 HT 0.417000 1.0080 0 25367 WAT 3293 TIP3 H2 HT 0.417000 1.0080 0 25368 WAT 3294 TIP3 OH2 OT -0.834000 15.9994 0 25369 WAT 3294 TIP3 H1 HT 0.417000 1.0080 0 25370 WAT 3294 TIP3 H2 HT 0.417000 1.0080 0 25371 WAT 3295 TIP3 OH2 OT -0.834000 15.9994 0 25372 WAT 3295 TIP3 H1 HT 0.417000 1.0080 0 25373 WAT 3295 TIP3 H2 HT 0.417000 1.0080 0 25374 WAT 3296 TIP3 OH2 OT -0.834000 15.9994 0 25375 WAT 3296 TIP3 H1 HT 0.417000 1.0080 0 25376 WAT 3296 TIP3 H2 HT 0.417000 1.0080 0 25377 WAT 3297 TIP3 OH2 OT -0.834000 15.9994 0 25378 WAT 3297 TIP3 H1 HT 0.417000 1.0080 0 25379 WAT 3297 TIP3 H2 HT 0.417000 1.0080 0 25380 WAT 3298 TIP3 OH2 OT -0.834000 15.9994 0 25381 WAT 3298 TIP3 H1 HT 0.417000 1.0080 0 25382 WAT 3298 TIP3 H2 HT 0.417000 1.0080 0 25383 WAT 3299 TIP3 OH2 OT -0.834000 15.9994 0 25384 WAT 3299 TIP3 H1 HT 0.417000 1.0080 0 25385 WAT 3299 TIP3 H2 HT 0.417000 1.0080 0 25386 WAT 3300 TIP3 OH2 OT -0.834000 15.9994 0 25387 WAT 3300 TIP3 H1 HT 0.417000 1.0080 0 25388 WAT 3300 TIP3 H2 HT 0.417000 1.0080 0 25389 WAT 3301 TIP3 OH2 OT -0.834000 15.9994 0 25390 WAT 3301 TIP3 H1 HT 0.417000 1.0080 0 25391 WAT 3301 TIP3 H2 HT 0.417000 1.0080 0 25392 WAT 3302 TIP3 OH2 OT -0.834000 15.9994 0 25393 WAT 3302 TIP3 H1 HT 0.417000 1.0080 0 25394 WAT 3302 TIP3 H2 HT 0.417000 1.0080 0 25395 WAT 3303 TIP3 OH2 OT -0.834000 15.9994 0 25396 WAT 3303 TIP3 H1 HT 0.417000 1.0080 0 25397 WAT 3303 TIP3 H2 HT 0.417000 1.0080 0 25398 WAT 3304 TIP3 OH2 OT -0.834000 15.9994 0 25399 WAT 3304 TIP3 H1 HT 0.417000 1.0080 0 25400 WAT 3304 TIP3 H2 HT 0.417000 1.0080 0 25401 WAT 3305 TIP3 OH2 OT -0.834000 15.9994 0 25402 WAT 3305 TIP3 H1 HT 0.417000 1.0080 0 25403 WAT 3305 TIP3 H2 HT 0.417000 1.0080 0 25404 WAT 3306 TIP3 OH2 OT -0.834000 15.9994 0 25405 WAT 3306 TIP3 H1 HT 0.417000 1.0080 0 25406 WAT 3306 TIP3 H2 HT 0.417000 1.0080 0 25407 WAT 3307 TIP3 OH2 OT -0.834000 15.9994 0 25408 WAT 3307 TIP3 H1 HT 0.417000 1.0080 0 25409 WAT 3307 TIP3 H2 HT 0.417000 1.0080 0 25410 WAT 3308 TIP3 OH2 OT -0.834000 15.9994 0 25411 WAT 3308 TIP3 H1 HT 0.417000 1.0080 0 25412 WAT 3308 TIP3 H2 HT 0.417000 1.0080 0 25413 WAT 3309 TIP3 OH2 OT -0.834000 15.9994 0 25414 WAT 3309 TIP3 H1 HT 0.417000 1.0080 0 25415 WAT 3309 TIP3 H2 HT 0.417000 1.0080 0 25416 WAT 3310 TIP3 OH2 OT -0.834000 15.9994 0 25417 WAT 3310 TIP3 H1 HT 0.417000 1.0080 0 25418 WAT 3310 TIP3 H2 HT 0.417000 1.0080 0 25419 WAT 3311 TIP3 OH2 OT -0.834000 15.9994 0 25420 WAT 3311 TIP3 H1 HT 0.417000 1.0080 0 25421 WAT 3311 TIP3 H2 HT 0.417000 1.0080 0 25422 WAT 3312 TIP3 OH2 OT -0.834000 15.9994 0 25423 WAT 3312 TIP3 H1 HT 0.417000 1.0080 0 25424 WAT 3312 TIP3 H2 HT 0.417000 1.0080 0 25425 WAT 3313 TIP3 OH2 OT -0.834000 15.9994 0 25426 WAT 3313 TIP3 H1 HT 0.417000 1.0080 0 25427 WAT 3313 TIP3 H2 HT 0.417000 1.0080 0 25428 WAT 3314 TIP3 OH2 OT -0.834000 15.9994 0 25429 WAT 3314 TIP3 H1 HT 0.417000 1.0080 0 25430 WAT 3314 TIP3 H2 HT 0.417000 1.0080 0 25431 WAT 3315 TIP3 OH2 OT -0.834000 15.9994 0 25432 WAT 3315 TIP3 H1 HT 0.417000 1.0080 0 25433 WAT 3315 TIP3 H2 HT 0.417000 1.0080 0 25434 WAT 3316 TIP3 OH2 OT -0.834000 15.9994 0 25435 WAT 3316 TIP3 H1 HT 0.417000 1.0080 0 25436 WAT 3316 TIP3 H2 HT 0.417000 1.0080 0 25437 WAT 3317 TIP3 OH2 OT -0.834000 15.9994 0 25438 WAT 3317 TIP3 H1 HT 0.417000 1.0080 0 25439 WAT 3317 TIP3 H2 HT 0.417000 1.0080 0 25440 WAT 3318 TIP3 OH2 OT -0.834000 15.9994 0 25441 WAT 3318 TIP3 H1 HT 0.417000 1.0080 0 25442 WAT 3318 TIP3 H2 HT 0.417000 1.0080 0 25443 WAT 3319 TIP3 OH2 OT -0.834000 15.9994 0 25444 WAT 3319 TIP3 H1 HT 0.417000 1.0080 0 25445 WAT 3319 TIP3 H2 HT 0.417000 1.0080 0 25446 WAT 3320 TIP3 OH2 OT -0.834000 15.9994 0 25447 WAT 3320 TIP3 H1 HT 0.417000 1.0080 0 25448 WAT 3320 TIP3 H2 HT 0.417000 1.0080 0 25449 WAT 3321 TIP3 OH2 OT -0.834000 15.9994 0 25450 WAT 3321 TIP3 H1 HT 0.417000 1.0080 0 25451 WAT 3321 TIP3 H2 HT 0.417000 1.0080 0 25452 WAT 3322 TIP3 OH2 OT -0.834000 15.9994 0 25453 WAT 3322 TIP3 H1 HT 0.417000 1.0080 0 25454 WAT 3322 TIP3 H2 HT 0.417000 1.0080 0 25455 WAT 3323 TIP3 OH2 OT -0.834000 15.9994 0 25456 WAT 3323 TIP3 H1 HT 0.417000 1.0080 0 25457 WAT 3323 TIP3 H2 HT 0.417000 1.0080 0 25458 WAT 3324 TIP3 OH2 OT -0.834000 15.9994 0 25459 WAT 3324 TIP3 H1 HT 0.417000 1.0080 0 25460 WAT 3324 TIP3 H2 HT 0.417000 1.0080 0 25461 WAT 3325 TIP3 OH2 OT -0.834000 15.9994 0 25462 WAT 3325 TIP3 H1 HT 0.417000 1.0080 0 25463 WAT 3325 TIP3 H2 HT 0.417000 1.0080 0 25464 WAT 3326 TIP3 OH2 OT -0.834000 15.9994 0 25465 WAT 3326 TIP3 H1 HT 0.417000 1.0080 0 25466 WAT 3326 TIP3 H2 HT 0.417000 1.0080 0 25467 WAT 3327 TIP3 OH2 OT -0.834000 15.9994 0 25468 WAT 3327 TIP3 H1 HT 0.417000 1.0080 0 25469 WAT 3327 TIP3 H2 HT 0.417000 1.0080 0 25470 WAT 3328 TIP3 OH2 OT -0.834000 15.9994 0 25471 WAT 3328 TIP3 H1 HT 0.417000 1.0080 0 25472 WAT 3328 TIP3 H2 HT 0.417000 1.0080 0 25473 WAT 3329 TIP3 OH2 OT -0.834000 15.9994 0 25474 WAT 3329 TIP3 H1 HT 0.417000 1.0080 0 25475 WAT 3329 TIP3 H2 HT 0.417000 1.0080 0 25476 WAT 3330 TIP3 OH2 OT -0.834000 15.9994 0 25477 WAT 3330 TIP3 H1 HT 0.417000 1.0080 0 25478 WAT 3330 TIP3 H2 HT 0.417000 1.0080 0 25479 WAT 3331 TIP3 OH2 OT -0.834000 15.9994 0 25480 WAT 3331 TIP3 H1 HT 0.417000 1.0080 0 25481 WAT 3331 TIP3 H2 HT 0.417000 1.0080 0 25482 WAT 3332 TIP3 OH2 OT -0.834000 15.9994 0 25483 WAT 3332 TIP3 H1 HT 0.417000 1.0080 0 25484 WAT 3332 TIP3 H2 HT 0.417000 1.0080 0 25485 WAT 3333 TIP3 OH2 OT -0.834000 15.9994 0 25486 WAT 3333 TIP3 H1 HT 0.417000 1.0080 0 25487 WAT 3333 TIP3 H2 HT 0.417000 1.0080 0 25488 WAT 3334 TIP3 OH2 OT -0.834000 15.9994 0 25489 WAT 3334 TIP3 H1 HT 0.417000 1.0080 0 25490 WAT 3334 TIP3 H2 HT 0.417000 1.0080 0 25491 WAT 3335 TIP3 OH2 OT -0.834000 15.9994 0 25492 WAT 3335 TIP3 H1 HT 0.417000 1.0080 0 25493 WAT 3335 TIP3 H2 HT 0.417000 1.0080 0 25494 WAT 3336 TIP3 OH2 OT -0.834000 15.9994 0 25495 WAT 3336 TIP3 H1 HT 0.417000 1.0080 0 25496 WAT 3336 TIP3 H2 HT 0.417000 1.0080 0 25497 WAT 3337 TIP3 OH2 OT -0.834000 15.9994 0 25498 WAT 3337 TIP3 H1 HT 0.417000 1.0080 0 25499 WAT 3337 TIP3 H2 HT 0.417000 1.0080 0 25500 WAT 3338 TIP3 OH2 OT -0.834000 15.9994 0 25501 WAT 3338 TIP3 H1 HT 0.417000 1.0080 0 25502 WAT 3338 TIP3 H2 HT 0.417000 1.0080 0 25503 WAT 3339 TIP3 OH2 OT -0.834000 15.9994 0 25504 WAT 3339 TIP3 H1 HT 0.417000 1.0080 0 25505 WAT 3339 TIP3 H2 HT 0.417000 1.0080 0 25506 WAT 3340 TIP3 OH2 OT -0.834000 15.9994 0 25507 WAT 3340 TIP3 H1 HT 0.417000 1.0080 0 25508 WAT 3340 TIP3 H2 HT 0.417000 1.0080 0 25509 WAT 3341 TIP3 OH2 OT -0.834000 15.9994 0 25510 WAT 3341 TIP3 H1 HT 0.417000 1.0080 0 25511 WAT 3341 TIP3 H2 HT 0.417000 1.0080 0 25512 WAT 3342 TIP3 OH2 OT -0.834000 15.9994 0 25513 WAT 3342 TIP3 H1 HT 0.417000 1.0080 0 25514 WAT 3342 TIP3 H2 HT 0.417000 1.0080 0 25515 WAT 3343 TIP3 OH2 OT -0.834000 15.9994 0 25516 WAT 3343 TIP3 H1 HT 0.417000 1.0080 0 25517 WAT 3343 TIP3 H2 HT 0.417000 1.0080 0 25518 WAT 3344 TIP3 OH2 OT -0.834000 15.9994 0 25519 WAT 3344 TIP3 H1 HT 0.417000 1.0080 0 25520 WAT 3344 TIP3 H2 HT 0.417000 1.0080 0 25521 WAT 3345 TIP3 OH2 OT -0.834000 15.9994 0 25522 WAT 3345 TIP3 H1 HT 0.417000 1.0080 0 25523 WAT 3345 TIP3 H2 HT 0.417000 1.0080 0 25524 WAT 3346 TIP3 OH2 OT -0.834000 15.9994 0 25525 WAT 3346 TIP3 H1 HT 0.417000 1.0080 0 25526 WAT 3346 TIP3 H2 HT 0.417000 1.0080 0 25527 WAT 3347 TIP3 OH2 OT -0.834000 15.9994 0 25528 WAT 3347 TIP3 H1 HT 0.417000 1.0080 0 25529 WAT 3347 TIP3 H2 HT 0.417000 1.0080 0 25530 WAT 3348 TIP3 OH2 OT -0.834000 15.9994 0 25531 WAT 3348 TIP3 H1 HT 0.417000 1.0080 0 25532 WAT 3348 TIP3 H2 HT 0.417000 1.0080 0 25533 WAT 3349 TIP3 OH2 OT -0.834000 15.9994 0 25534 WAT 3349 TIP3 H1 HT 0.417000 1.0080 0 25535 WAT 3349 TIP3 H2 HT 0.417000 1.0080 0 25536 WAT 3350 TIP3 OH2 OT -0.834000 15.9994 0 25537 WAT 3350 TIP3 H1 HT 0.417000 1.0080 0 25538 WAT 3350 TIP3 H2 HT 0.417000 1.0080 0 25539 WAT 3351 TIP3 OH2 OT -0.834000 15.9994 0 25540 WAT 3351 TIP3 H1 HT 0.417000 1.0080 0 25541 WAT 3351 TIP3 H2 HT 0.417000 1.0080 0 25542 WAT 3352 TIP3 OH2 OT -0.834000 15.9994 0 25543 WAT 3352 TIP3 H1 HT 0.417000 1.0080 0 25544 WAT 3352 TIP3 H2 HT 0.417000 1.0080 0 25545 WAT 3353 TIP3 OH2 OT -0.834000 15.9994 0 25546 WAT 3353 TIP3 H1 HT 0.417000 1.0080 0 25547 WAT 3353 TIP3 H2 HT 0.417000 1.0080 0 25548 WAT 3354 TIP3 OH2 OT -0.834000 15.9994 0 25549 WAT 3354 TIP3 H1 HT 0.417000 1.0080 0 25550 WAT 3354 TIP3 H2 HT 0.417000 1.0080 0 25551 WAT 3355 TIP3 OH2 OT -0.834000 15.9994 0 25552 WAT 3355 TIP3 H1 HT 0.417000 1.0080 0 25553 WAT 3355 TIP3 H2 HT 0.417000 1.0080 0 25554 WAT 3356 TIP3 OH2 OT -0.834000 15.9994 0 25555 WAT 3356 TIP3 H1 HT 0.417000 1.0080 0 25556 WAT 3356 TIP3 H2 HT 0.417000 1.0080 0 25557 WAT 3357 TIP3 OH2 OT -0.834000 15.9994 0 25558 WAT 3357 TIP3 H1 HT 0.417000 1.0080 0 25559 WAT 3357 TIP3 H2 HT 0.417000 1.0080 0 25560 WAT 3358 TIP3 OH2 OT -0.834000 15.9994 0 25561 WAT 3358 TIP3 H1 HT 0.417000 1.0080 0 25562 WAT 3358 TIP3 H2 HT 0.417000 1.0080 0 25563 WAT 3359 TIP3 OH2 OT -0.834000 15.9994 0 25564 WAT 3359 TIP3 H1 HT 0.417000 1.0080 0 25565 WAT 3359 TIP3 H2 HT 0.417000 1.0080 0 25566 WAT 3360 TIP3 OH2 OT -0.834000 15.9994 0 25567 WAT 3360 TIP3 H1 HT 0.417000 1.0080 0 25568 WAT 3360 TIP3 H2 HT 0.417000 1.0080 0 25569 WAT 3361 TIP3 OH2 OT -0.834000 15.9994 0 25570 WAT 3361 TIP3 H1 HT 0.417000 1.0080 0 25571 WAT 3361 TIP3 H2 HT 0.417000 1.0080 0 25572 WAT 3362 TIP3 OH2 OT -0.834000 15.9994 0 25573 WAT 3362 TIP3 H1 HT 0.417000 1.0080 0 25574 WAT 3362 TIP3 H2 HT 0.417000 1.0080 0 25575 WAT 3363 TIP3 OH2 OT -0.834000 15.9994 0 25576 WAT 3363 TIP3 H1 HT 0.417000 1.0080 0 25577 WAT 3363 TIP3 H2 HT 0.417000 1.0080 0 25578 WAT 3364 TIP3 OH2 OT -0.834000 15.9994 0 25579 WAT 3364 TIP3 H1 HT 0.417000 1.0080 0 25580 WAT 3364 TIP3 H2 HT 0.417000 1.0080 0 25581 WAT 3365 TIP3 OH2 OT -0.834000 15.9994 0 25582 WAT 3365 TIP3 H1 HT 0.417000 1.0080 0 25583 WAT 3365 TIP3 H2 HT 0.417000 1.0080 0 25584 WAT 3366 TIP3 OH2 OT -0.834000 15.9994 0 25585 WAT 3366 TIP3 H1 HT 0.417000 1.0080 0 25586 WAT 3366 TIP3 H2 HT 0.417000 1.0080 0 25587 WAT 3367 TIP3 OH2 OT -0.834000 15.9994 0 25588 WAT 3367 TIP3 H1 HT 0.417000 1.0080 0 25589 WAT 3367 TIP3 H2 HT 0.417000 1.0080 0 25590 WAT 3368 TIP3 OH2 OT -0.834000 15.9994 0 25591 WAT 3368 TIP3 H1 HT 0.417000 1.0080 0 25592 WAT 3368 TIP3 H2 HT 0.417000 1.0080 0 25593 WAT 3369 TIP3 OH2 OT -0.834000 15.9994 0 25594 WAT 3369 TIP3 H1 HT 0.417000 1.0080 0 25595 WAT 3369 TIP3 H2 HT 0.417000 1.0080 0 25596 WAT 3370 TIP3 OH2 OT -0.834000 15.9994 0 25597 WAT 3370 TIP3 H1 HT 0.417000 1.0080 0 25598 WAT 3370 TIP3 H2 HT 0.417000 1.0080 0 25599 WAT 3371 TIP3 OH2 OT -0.834000 15.9994 0 25600 WAT 3371 TIP3 H1 HT 0.417000 1.0080 0 25601 WAT 3371 TIP3 H2 HT 0.417000 1.0080 0 25602 WAT 3372 TIP3 OH2 OT -0.834000 15.9994 0 25603 WAT 3372 TIP3 H1 HT 0.417000 1.0080 0 25604 WAT 3372 TIP3 H2 HT 0.417000 1.0080 0 25605 WAT 3373 TIP3 OH2 OT -0.834000 15.9994 0 25606 WAT 3373 TIP3 H1 HT 0.417000 1.0080 0 25607 WAT 3373 TIP3 H2 HT 0.417000 1.0080 0 25608 WAT 3374 TIP3 OH2 OT -0.834000 15.9994 0 25609 WAT 3374 TIP3 H1 HT 0.417000 1.0080 0 25610 WAT 3374 TIP3 H2 HT 0.417000 1.0080 0 25611 WAT 3375 TIP3 OH2 OT -0.834000 15.9994 0 25612 WAT 3375 TIP3 H1 HT 0.417000 1.0080 0 25613 WAT 3375 TIP3 H2 HT 0.417000 1.0080 0 25614 WAT 3376 TIP3 OH2 OT -0.834000 15.9994 0 25615 WAT 3376 TIP3 H1 HT 0.417000 1.0080 0 25616 WAT 3376 TIP3 H2 HT 0.417000 1.0080 0 25617 WAT 3377 TIP3 OH2 OT -0.834000 15.9994 0 25618 WAT 3377 TIP3 H1 HT 0.417000 1.0080 0 25619 WAT 3377 TIP3 H2 HT 0.417000 1.0080 0 25620 WAT 3378 TIP3 OH2 OT -0.834000 15.9994 0 25621 WAT 3378 TIP3 H1 HT 0.417000 1.0080 0 25622 WAT 3378 TIP3 H2 HT 0.417000 1.0080 0 25623 WAT 3379 TIP3 OH2 OT -0.834000 15.9994 0 25624 WAT 3379 TIP3 H1 HT 0.417000 1.0080 0 25625 WAT 3379 TIP3 H2 HT 0.417000 1.0080 0 25626 WAT 3380 TIP3 OH2 OT -0.834000 15.9994 0 25627 WAT 3380 TIP3 H1 HT 0.417000 1.0080 0 25628 WAT 3380 TIP3 H2 HT 0.417000 1.0080 0 25629 WAT 3381 TIP3 OH2 OT -0.834000 15.9994 0 25630 WAT 3381 TIP3 H1 HT 0.417000 1.0080 0 25631 WAT 3381 TIP3 H2 HT 0.417000 1.0080 0 25632 WAT 3382 TIP3 OH2 OT -0.834000 15.9994 0 25633 WAT 3382 TIP3 H1 HT 0.417000 1.0080 0 25634 WAT 3382 TIP3 H2 HT 0.417000 1.0080 0 25635 WAT 3383 TIP3 OH2 OT -0.834000 15.9994 0 25636 WAT 3383 TIP3 H1 HT 0.417000 1.0080 0 25637 WAT 3383 TIP3 H2 HT 0.417000 1.0080 0 25638 WAT 3384 TIP3 OH2 OT -0.834000 15.9994 0 25639 WAT 3384 TIP3 H1 HT 0.417000 1.0080 0 25640 WAT 3384 TIP3 H2 HT 0.417000 1.0080 0 25641 WAT 3385 TIP3 OH2 OT -0.834000 15.9994 0 25642 WAT 3385 TIP3 H1 HT 0.417000 1.0080 0 25643 WAT 3385 TIP3 H2 HT 0.417000 1.0080 0 25644 WAT 3386 TIP3 OH2 OT -0.834000 15.9994 0 25645 WAT 3386 TIP3 H1 HT 0.417000 1.0080 0 25646 WAT 3386 TIP3 H2 HT 0.417000 1.0080 0 25647 WAT 3387 TIP3 OH2 OT -0.834000 15.9994 0 25648 WAT 3387 TIP3 H1 HT 0.417000 1.0080 0 25649 WAT 3387 TIP3 H2 HT 0.417000 1.0080 0 25650 WAT 3388 TIP3 OH2 OT -0.834000 15.9994 0 25651 WAT 3388 TIP3 H1 HT 0.417000 1.0080 0 25652 WAT 3388 TIP3 H2 HT 0.417000 1.0080 0 25653 WAT 3389 TIP3 OH2 OT -0.834000 15.9994 0 25654 WAT 3389 TIP3 H1 HT 0.417000 1.0080 0 25655 WAT 3389 TIP3 H2 HT 0.417000 1.0080 0 25656 WAT 3390 TIP3 OH2 OT -0.834000 15.9994 0 25657 WAT 3390 TIP3 H1 HT 0.417000 1.0080 0 25658 WAT 3390 TIP3 H2 HT 0.417000 1.0080 0 25659 WAT 3391 TIP3 OH2 OT -0.834000 15.9994 0 25660 WAT 3391 TIP3 H1 HT 0.417000 1.0080 0 25661 WAT 3391 TIP3 H2 HT 0.417000 1.0080 0 25662 WAT 3392 TIP3 OH2 OT -0.834000 15.9994 0 25663 WAT 3392 TIP3 H1 HT 0.417000 1.0080 0 25664 WAT 3392 TIP3 H2 HT 0.417000 1.0080 0 25665 WAT 3393 TIP3 OH2 OT -0.834000 15.9994 0 25666 WAT 3393 TIP3 H1 HT 0.417000 1.0080 0 25667 WAT 3393 TIP3 H2 HT 0.417000 1.0080 0 25668 WAT 3394 TIP3 OH2 OT -0.834000 15.9994 0 25669 WAT 3394 TIP3 H1 HT 0.417000 1.0080 0 25670 WAT 3394 TIP3 H2 HT 0.417000 1.0080 0 25671 WAT 3395 TIP3 OH2 OT -0.834000 15.9994 0 25672 WAT 3395 TIP3 H1 HT 0.417000 1.0080 0 25673 WAT 3395 TIP3 H2 HT 0.417000 1.0080 0 25674 WAT 3396 TIP3 OH2 OT -0.834000 15.9994 0 25675 WAT 3396 TIP3 H1 HT 0.417000 1.0080 0 25676 WAT 3396 TIP3 H2 HT 0.417000 1.0080 0 25677 WAT 3397 TIP3 OH2 OT -0.834000 15.9994 0 25678 WAT 3397 TIP3 H1 HT 0.417000 1.0080 0 25679 WAT 3397 TIP3 H2 HT 0.417000 1.0080 0 25680 WAT 3398 TIP3 OH2 OT -0.834000 15.9994 0 25681 WAT 3398 TIP3 H1 HT 0.417000 1.0080 0 25682 WAT 3398 TIP3 H2 HT 0.417000 1.0080 0 25683 WAT 3399 TIP3 OH2 OT -0.834000 15.9994 0 25684 WAT 3399 TIP3 H1 HT 0.417000 1.0080 0 25685 WAT 3399 TIP3 H2 HT 0.417000 1.0080 0 25686 WAT 3400 TIP3 OH2 OT -0.834000 15.9994 0 25687 WAT 3400 TIP3 H1 HT 0.417000 1.0080 0 25688 WAT 3400 TIP3 H2 HT 0.417000 1.0080 0 25689 WAT 3401 TIP3 OH2 OT -0.834000 15.9994 0 25690 WAT 3401 TIP3 H1 HT 0.417000 1.0080 0 25691 WAT 3401 TIP3 H2 HT 0.417000 1.0080 0 25692 WAT 3402 TIP3 OH2 OT -0.834000 15.9994 0 25693 WAT 3402 TIP3 H1 HT 0.417000 1.0080 0 25694 WAT 3402 TIP3 H2 HT 0.417000 1.0080 0 25695 WAT 3403 TIP3 OH2 OT -0.834000 15.9994 0 25696 WAT 3403 TIP3 H1 HT 0.417000 1.0080 0 25697 WAT 3403 TIP3 H2 HT 0.417000 1.0080 0 25698 WAT 3404 TIP3 OH2 OT -0.834000 15.9994 0 25699 WAT 3404 TIP3 H1 HT 0.417000 1.0080 0 25700 WAT 3404 TIP3 H2 HT 0.417000 1.0080 0 25701 WAT 3405 TIP3 OH2 OT -0.834000 15.9994 0 25702 WAT 3405 TIP3 H1 HT 0.417000 1.0080 0 25703 WAT 3405 TIP3 H2 HT 0.417000 1.0080 0 25704 WAT 3406 TIP3 OH2 OT -0.834000 15.9994 0 25705 WAT 3406 TIP3 H1 HT 0.417000 1.0080 0 25706 WAT 3406 TIP3 H2 HT 0.417000 1.0080 0 25707 WAT 3407 TIP3 OH2 OT -0.834000 15.9994 0 25708 WAT 3407 TIP3 H1 HT 0.417000 1.0080 0 25709 WAT 3407 TIP3 H2 HT 0.417000 1.0080 0 25710 WAT 3408 TIP3 OH2 OT -0.834000 15.9994 0 25711 WAT 3408 TIP3 H1 HT 0.417000 1.0080 0 25712 WAT 3408 TIP3 H2 HT 0.417000 1.0080 0 25713 WAT 3409 TIP3 OH2 OT -0.834000 15.9994 0 25714 WAT 3409 TIP3 H1 HT 0.417000 1.0080 0 25715 WAT 3409 TIP3 H2 HT 0.417000 1.0080 0 25716 WAT 3410 TIP3 OH2 OT -0.834000 15.9994 0 25717 WAT 3410 TIP3 H1 HT 0.417000 1.0080 0 25718 WAT 3410 TIP3 H2 HT 0.417000 1.0080 0 25719 WAT 3411 TIP3 OH2 OT -0.834000 15.9994 0 25720 WAT 3411 TIP3 H1 HT 0.417000 1.0080 0 25721 WAT 3411 TIP3 H2 HT 0.417000 1.0080 0 25722 WAT 3412 TIP3 OH2 OT -0.834000 15.9994 0 25723 WAT 3412 TIP3 H1 HT 0.417000 1.0080 0 25724 WAT 3412 TIP3 H2 HT 0.417000 1.0080 0 25725 WAT 3413 TIP3 OH2 OT -0.834000 15.9994 0 25726 WAT 3413 TIP3 H1 HT 0.417000 1.0080 0 25727 WAT 3413 TIP3 H2 HT 0.417000 1.0080 0 25728 WAT 3414 TIP3 OH2 OT -0.834000 15.9994 0 25729 WAT 3414 TIP3 H1 HT 0.417000 1.0080 0 25730 WAT 3414 TIP3 H2 HT 0.417000 1.0080 0 25731 WAT 3415 TIP3 OH2 OT -0.834000 15.9994 0 25732 WAT 3415 TIP3 H1 HT 0.417000 1.0080 0 25733 WAT 3415 TIP3 H2 HT 0.417000 1.0080 0 25734 WAT 3416 TIP3 OH2 OT -0.834000 15.9994 0 25735 WAT 3416 TIP3 H1 HT 0.417000 1.0080 0 25736 WAT 3416 TIP3 H2 HT 0.417000 1.0080 0 25737 WAT 3417 TIP3 OH2 OT -0.834000 15.9994 0 25738 WAT 3417 TIP3 H1 HT 0.417000 1.0080 0 25739 WAT 3417 TIP3 H2 HT 0.417000 1.0080 0 25740 WAT 3418 TIP3 OH2 OT -0.834000 15.9994 0 25741 WAT 3418 TIP3 H1 HT 0.417000 1.0080 0 25742 WAT 3418 TIP3 H2 HT 0.417000 1.0080 0 25743 WAT 3419 TIP3 OH2 OT -0.834000 15.9994 0 25744 WAT 3419 TIP3 H1 HT 0.417000 1.0080 0 25745 WAT 3419 TIP3 H2 HT 0.417000 1.0080 0 25746 WAT 3420 TIP3 OH2 OT -0.834000 15.9994 0 25747 WAT 3420 TIP3 H1 HT 0.417000 1.0080 0 25748 WAT 3420 TIP3 H2 HT 0.417000 1.0080 0 25749 WAT 3421 TIP3 OH2 OT -0.834000 15.9994 0 25750 WAT 3421 TIP3 H1 HT 0.417000 1.0080 0 25751 WAT 3421 TIP3 H2 HT 0.417000 1.0080 0 25752 WAT 3422 TIP3 OH2 OT -0.834000 15.9994 0 25753 WAT 3422 TIP3 H1 HT 0.417000 1.0080 0 25754 WAT 3422 TIP3 H2 HT 0.417000 1.0080 0 25755 WAT 3423 TIP3 OH2 OT -0.834000 15.9994 0 25756 WAT 3423 TIP3 H1 HT 0.417000 1.0080 0 25757 WAT 3423 TIP3 H2 HT 0.417000 1.0080 0 25758 WAT 3424 TIP3 OH2 OT -0.834000 15.9994 0 25759 WAT 3424 TIP3 H1 HT 0.417000 1.0080 0 25760 WAT 3424 TIP3 H2 HT 0.417000 1.0080 0 25761 WAT 3425 TIP3 OH2 OT -0.834000 15.9994 0 25762 WAT 3425 TIP3 H1 HT 0.417000 1.0080 0 25763 WAT 3425 TIP3 H2 HT 0.417000 1.0080 0 25764 WAT 3426 TIP3 OH2 OT -0.834000 15.9994 0 25765 WAT 3426 TIP3 H1 HT 0.417000 1.0080 0 25766 WAT 3426 TIP3 H2 HT 0.417000 1.0080 0 25767 WAT 3427 TIP3 OH2 OT -0.834000 15.9994 0 25768 WAT 3427 TIP3 H1 HT 0.417000 1.0080 0 25769 WAT 3427 TIP3 H2 HT 0.417000 1.0080 0 25770 WAT 3428 TIP3 OH2 OT -0.834000 15.9994 0 25771 WAT 3428 TIP3 H1 HT 0.417000 1.0080 0 25772 WAT 3428 TIP3 H2 HT 0.417000 1.0080 0 25773 WAT 3429 TIP3 OH2 OT -0.834000 15.9994 0 25774 WAT 3429 TIP3 H1 HT 0.417000 1.0080 0 25775 WAT 3429 TIP3 H2 HT 0.417000 1.0080 0 25776 WAT 3430 TIP3 OH2 OT -0.834000 15.9994 0 25777 WAT 3430 TIP3 H1 HT 0.417000 1.0080 0 25778 WAT 3430 TIP3 H2 HT 0.417000 1.0080 0 25779 WAT 3431 TIP3 OH2 OT -0.834000 15.9994 0 25780 WAT 3431 TIP3 H1 HT 0.417000 1.0080 0 25781 WAT 3431 TIP3 H2 HT 0.417000 1.0080 0 25782 WAT 3432 TIP3 OH2 OT -0.834000 15.9994 0 25783 WAT 3432 TIP3 H1 HT 0.417000 1.0080 0 25784 WAT 3432 TIP3 H2 HT 0.417000 1.0080 0 25785 WAT 3433 TIP3 OH2 OT -0.834000 15.9994 0 25786 WAT 3433 TIP3 H1 HT 0.417000 1.0080 0 25787 WAT 3433 TIP3 H2 HT 0.417000 1.0080 0 25788 WAT 3434 TIP3 OH2 OT -0.834000 15.9994 0 25789 WAT 3434 TIP3 H1 HT 0.417000 1.0080 0 25790 WAT 3434 TIP3 H2 HT 0.417000 1.0080 0 25791 WAT 3435 TIP3 OH2 OT -0.834000 15.9994 0 25792 WAT 3435 TIP3 H1 HT 0.417000 1.0080 0 25793 WAT 3435 TIP3 H2 HT 0.417000 1.0080 0 25794 WAT 3436 TIP3 OH2 OT -0.834000 15.9994 0 25795 WAT 3436 TIP3 H1 HT 0.417000 1.0080 0 25796 WAT 3436 TIP3 H2 HT 0.417000 1.0080 0 25797 WAT 3437 TIP3 OH2 OT -0.834000 15.9994 0 25798 WAT 3437 TIP3 H1 HT 0.417000 1.0080 0 25799 WAT 3437 TIP3 H2 HT 0.417000 1.0080 0 25800 WAT 3438 TIP3 OH2 OT -0.834000 15.9994 0 25801 WAT 3438 TIP3 H1 HT 0.417000 1.0080 0 25802 WAT 3438 TIP3 H2 HT 0.417000 1.0080 0 25803 WAT 3439 TIP3 OH2 OT -0.834000 15.9994 0 25804 WAT 3439 TIP3 H1 HT 0.417000 1.0080 0 25805 WAT 3439 TIP3 H2 HT 0.417000 1.0080 0 25806 WAT 3440 TIP3 OH2 OT -0.834000 15.9994 0 25807 WAT 3440 TIP3 H1 HT 0.417000 1.0080 0 25808 WAT 3440 TIP3 H2 HT 0.417000 1.0080 0 25809 WAT 3441 TIP3 OH2 OT -0.834000 15.9994 0 25810 WAT 3441 TIP3 H1 HT 0.417000 1.0080 0 25811 WAT 3441 TIP3 H2 HT 0.417000 1.0080 0 25812 WAT 3442 TIP3 OH2 OT -0.834000 15.9994 0 25813 WAT 3442 TIP3 H1 HT 0.417000 1.0080 0 25814 WAT 3442 TIP3 H2 HT 0.417000 1.0080 0 25815 WAT 3443 TIP3 OH2 OT -0.834000 15.9994 0 25816 WAT 3443 TIP3 H1 HT 0.417000 1.0080 0 25817 WAT 3443 TIP3 H2 HT 0.417000 1.0080 0 25818 WAT 3444 TIP3 OH2 OT -0.834000 15.9994 0 25819 WAT 3444 TIP3 H1 HT 0.417000 1.0080 0 25820 WAT 3444 TIP3 H2 HT 0.417000 1.0080 0 25821 WAT 3445 TIP3 OH2 OT -0.834000 15.9994 0 25822 WAT 3445 TIP3 H1 HT 0.417000 1.0080 0 25823 WAT 3445 TIP3 H2 HT 0.417000 1.0080 0 25824 WAT 3446 TIP3 OH2 OT -0.834000 15.9994 0 25825 WAT 3446 TIP3 H1 HT 0.417000 1.0080 0 25826 WAT 3446 TIP3 H2 HT 0.417000 1.0080 0 25827 WAT 3447 TIP3 OH2 OT -0.834000 15.9994 0 25828 WAT 3447 TIP3 H1 HT 0.417000 1.0080 0 25829 WAT 3447 TIP3 H2 HT 0.417000 1.0080 0 25830 WAT 3448 TIP3 OH2 OT -0.834000 15.9994 0 25831 WAT 3448 TIP3 H1 HT 0.417000 1.0080 0 25832 WAT 3448 TIP3 H2 HT 0.417000 1.0080 0 25833 WAT 3449 TIP3 OH2 OT -0.834000 15.9994 0 25834 WAT 3449 TIP3 H1 HT 0.417000 1.0080 0 25835 WAT 3449 TIP3 H2 HT 0.417000 1.0080 0 25836 WAT 3450 TIP3 OH2 OT -0.834000 15.9994 0 25837 WAT 3450 TIP3 H1 HT 0.417000 1.0080 0 25838 WAT 3450 TIP3 H2 HT 0.417000 1.0080 0 25839 WAT 3451 TIP3 OH2 OT -0.834000 15.9994 0 25840 WAT 3451 TIP3 H1 HT 0.417000 1.0080 0 25841 WAT 3451 TIP3 H2 HT 0.417000 1.0080 0 25842 WAT 3452 TIP3 OH2 OT -0.834000 15.9994 0 25843 WAT 3452 TIP3 H1 HT 0.417000 1.0080 0 25844 WAT 3452 TIP3 H2 HT 0.417000 1.0080 0 25845 WAT 3453 TIP3 OH2 OT -0.834000 15.9994 0 25846 WAT 3453 TIP3 H1 HT 0.417000 1.0080 0 25847 WAT 3453 TIP3 H2 HT 0.417000 1.0080 0 25848 WAT 3454 TIP3 OH2 OT -0.834000 15.9994 0 25849 WAT 3454 TIP3 H1 HT 0.417000 1.0080 0 25850 WAT 3454 TIP3 H2 HT 0.417000 1.0080 0 25851 WAT 3455 TIP3 OH2 OT -0.834000 15.9994 0 25852 WAT 3455 TIP3 H1 HT 0.417000 1.0080 0 25853 WAT 3455 TIP3 H2 HT 0.417000 1.0080 0 25854 WAT 3456 TIP3 OH2 OT -0.834000 15.9994 0 25855 WAT 3456 TIP3 H1 HT 0.417000 1.0080 0 25856 WAT 3456 TIP3 H2 HT 0.417000 1.0080 0 25857 WAT 3457 TIP3 OH2 OT -0.834000 15.9994 0 25858 WAT 3457 TIP3 H1 HT 0.417000 1.0080 0 25859 WAT 3457 TIP3 H2 HT 0.417000 1.0080 0 25860 WAT 3458 TIP3 OH2 OT -0.834000 15.9994 0 25861 WAT 3458 TIP3 H1 HT 0.417000 1.0080 0 25862 WAT 3458 TIP3 H2 HT 0.417000 1.0080 0 25863 WAT 3459 TIP3 OH2 OT -0.834000 15.9994 0 25864 WAT 3459 TIP3 H1 HT 0.417000 1.0080 0 25865 WAT 3459 TIP3 H2 HT 0.417000 1.0080 0 25866 WAT 3460 TIP3 OH2 OT -0.834000 15.9994 0 25867 WAT 3460 TIP3 H1 HT 0.417000 1.0080 0 25868 WAT 3460 TIP3 H2 HT 0.417000 1.0080 0 25869 WAT 3461 TIP3 OH2 OT -0.834000 15.9994 0 25870 WAT 3461 TIP3 H1 HT 0.417000 1.0080 0 25871 WAT 3461 TIP3 H2 HT 0.417000 1.0080 0 25872 WAT 3462 TIP3 OH2 OT -0.834000 15.9994 0 25873 WAT 3462 TIP3 H1 HT 0.417000 1.0080 0 25874 WAT 3462 TIP3 H2 HT 0.417000 1.0080 0 25875 WAT 3463 TIP3 OH2 OT -0.834000 15.9994 0 25876 WAT 3463 TIP3 H1 HT 0.417000 1.0080 0 25877 WAT 3463 TIP3 H2 HT 0.417000 1.0080 0 25878 WAT 3464 TIP3 OH2 OT -0.834000 15.9994 0 25879 WAT 3464 TIP3 H1 HT 0.417000 1.0080 0 25880 WAT 3464 TIP3 H2 HT 0.417000 1.0080 0 25881 WAT 3465 TIP3 OH2 OT -0.834000 15.9994 0 25882 WAT 3465 TIP3 H1 HT 0.417000 1.0080 0 25883 WAT 3465 TIP3 H2 HT 0.417000 1.0080 0 25884 WAT 3466 TIP3 OH2 OT -0.834000 15.9994 0 25885 WAT 3466 TIP3 H1 HT 0.417000 1.0080 0 25886 WAT 3466 TIP3 H2 HT 0.417000 1.0080 0 25887 WAT 3467 TIP3 OH2 OT -0.834000 15.9994 0 25888 WAT 3467 TIP3 H1 HT 0.417000 1.0080 0 25889 WAT 3467 TIP3 H2 HT 0.417000 1.0080 0 25890 WAT 3468 TIP3 OH2 OT -0.834000 15.9994 0 25891 WAT 3468 TIP3 H1 HT 0.417000 1.0080 0 25892 WAT 3468 TIP3 H2 HT 0.417000 1.0080 0 25893 WAT 3469 TIP3 OH2 OT -0.834000 15.9994 0 25894 WAT 3469 TIP3 H1 HT 0.417000 1.0080 0 25895 WAT 3469 TIP3 H2 HT 0.417000 1.0080 0 25896 WAT 3470 TIP3 OH2 OT -0.834000 15.9994 0 25897 WAT 3470 TIP3 H1 HT 0.417000 1.0080 0 25898 WAT 3470 TIP3 H2 HT 0.417000 1.0080 0 25899 WAT 3471 TIP3 OH2 OT -0.834000 15.9994 0 25900 WAT 3471 TIP3 H1 HT 0.417000 1.0080 0 25901 WAT 3471 TIP3 H2 HT 0.417000 1.0080 0 25902 WAT 3472 TIP3 OH2 OT -0.834000 15.9994 0 25903 WAT 3472 TIP3 H1 HT 0.417000 1.0080 0 25904 WAT 3472 TIP3 H2 HT 0.417000 1.0080 0 25905 WAT 3473 TIP3 OH2 OT -0.834000 15.9994 0 25906 WAT 3473 TIP3 H1 HT 0.417000 1.0080 0 25907 WAT 3473 TIP3 H2 HT 0.417000 1.0080 0 25908 WAT 3474 TIP3 OH2 OT -0.834000 15.9994 0 25909 WAT 3474 TIP3 H1 HT 0.417000 1.0080 0 25910 WAT 3474 TIP3 H2 HT 0.417000 1.0080 0 25911 WAT 3475 TIP3 OH2 OT -0.834000 15.9994 0 25912 WAT 3475 TIP3 H1 HT 0.417000 1.0080 0 25913 WAT 3475 TIP3 H2 HT 0.417000 1.0080 0 25914 WAT 3476 TIP3 OH2 OT -0.834000 15.9994 0 25915 WAT 3476 TIP3 H1 HT 0.417000 1.0080 0 25916 WAT 3476 TIP3 H2 HT 0.417000 1.0080 0 25917 WAT 3477 TIP3 OH2 OT -0.834000 15.9994 0 25918 WAT 3477 TIP3 H1 HT 0.417000 1.0080 0 25919 WAT 3477 TIP3 H2 HT 0.417000 1.0080 0 25920 WAT 3478 TIP3 OH2 OT -0.834000 15.9994 0 25921 WAT 3478 TIP3 H1 HT 0.417000 1.0080 0 25922 WAT 3478 TIP3 H2 HT 0.417000 1.0080 0 25923 WAT 3479 TIP3 OH2 OT -0.834000 15.9994 0 25924 WAT 3479 TIP3 H1 HT 0.417000 1.0080 0 25925 WAT 3479 TIP3 H2 HT 0.417000 1.0080 0 25926 WAT 3480 TIP3 OH2 OT -0.834000 15.9994 0 25927 WAT 3480 TIP3 H1 HT 0.417000 1.0080 0 25928 WAT 3480 TIP3 H2 HT 0.417000 1.0080 0 25929 WAT 3481 TIP3 OH2 OT -0.834000 15.9994 0 25930 WAT 3481 TIP3 H1 HT 0.417000 1.0080 0 25931 WAT 3481 TIP3 H2 HT 0.417000 1.0080 0 25932 WAT 3482 TIP3 OH2 OT -0.834000 15.9994 0 25933 WAT 3482 TIP3 H1 HT 0.417000 1.0080 0 25934 WAT 3482 TIP3 H2 HT 0.417000 1.0080 0 25935 WAT 3483 TIP3 OH2 OT -0.834000 15.9994 0 25936 WAT 3483 TIP3 H1 HT 0.417000 1.0080 0 25937 WAT 3483 TIP3 H2 HT 0.417000 1.0080 0 25938 WAT 3484 TIP3 OH2 OT -0.834000 15.9994 0 25939 WAT 3484 TIP3 H1 HT 0.417000 1.0080 0 25940 WAT 3484 TIP3 H2 HT 0.417000 1.0080 0 25941 WAT 3485 TIP3 OH2 OT -0.834000 15.9994 0 25942 WAT 3485 TIP3 H1 HT 0.417000 1.0080 0 25943 WAT 3485 TIP3 H2 HT 0.417000 1.0080 0 25944 WAT 3486 TIP3 OH2 OT -0.834000 15.9994 0 25945 WAT 3486 TIP3 H1 HT 0.417000 1.0080 0 25946 WAT 3486 TIP3 H2 HT 0.417000 1.0080 0 25947 WAT 3487 TIP3 OH2 OT -0.834000 15.9994 0 25948 WAT 3487 TIP3 H1 HT 0.417000 1.0080 0 25949 WAT 3487 TIP3 H2 HT 0.417000 1.0080 0 25950 WAT 3488 TIP3 OH2 OT -0.834000 15.9994 0 25951 WAT 3488 TIP3 H1 HT 0.417000 1.0080 0 25952 WAT 3488 TIP3 H2 HT 0.417000 1.0080 0 25953 WAT 3489 TIP3 OH2 OT -0.834000 15.9994 0 25954 WAT 3489 TIP3 H1 HT 0.417000 1.0080 0 25955 WAT 3489 TIP3 H2 HT 0.417000 1.0080 0 25956 WAT 3490 TIP3 OH2 OT -0.834000 15.9994 0 25957 WAT 3490 TIP3 H1 HT 0.417000 1.0080 0 25958 WAT 3490 TIP3 H2 HT 0.417000 1.0080 0 25959 WAT 3491 TIP3 OH2 OT -0.834000 15.9994 0 25960 WAT 3491 TIP3 H1 HT 0.417000 1.0080 0 25961 WAT 3491 TIP3 H2 HT 0.417000 1.0080 0 25962 WAT 3492 TIP3 OH2 OT -0.834000 15.9994 0 25963 WAT 3492 TIP3 H1 HT 0.417000 1.0080 0 25964 WAT 3492 TIP3 H2 HT 0.417000 1.0080 0 25965 WAT 3493 TIP3 OH2 OT -0.834000 15.9994 0 25966 WAT 3493 TIP3 H1 HT 0.417000 1.0080 0 25967 WAT 3493 TIP3 H2 HT 0.417000 1.0080 0 25968 WAT 3494 TIP3 OH2 OT -0.834000 15.9994 0 25969 WAT 3494 TIP3 H1 HT 0.417000 1.0080 0 25970 WAT 3494 TIP3 H2 HT 0.417000 1.0080 0 25971 WAT 3495 TIP3 OH2 OT -0.834000 15.9994 0 25972 WAT 3495 TIP3 H1 HT 0.417000 1.0080 0 25973 WAT 3495 TIP3 H2 HT 0.417000 1.0080 0 25974 WAT 3496 TIP3 OH2 OT -0.834000 15.9994 0 25975 WAT 3496 TIP3 H1 HT 0.417000 1.0080 0 25976 WAT 3496 TIP3 H2 HT 0.417000 1.0080 0 25977 WAT 3497 TIP3 OH2 OT -0.834000 15.9994 0 25978 WAT 3497 TIP3 H1 HT 0.417000 1.0080 0 25979 WAT 3497 TIP3 H2 HT 0.417000 1.0080 0 25980 WAT 3498 TIP3 OH2 OT -0.834000 15.9994 0 25981 WAT 3498 TIP3 H1 HT 0.417000 1.0080 0 25982 WAT 3498 TIP3 H2 HT 0.417000 1.0080 0 25983 WAT 3499 TIP3 OH2 OT -0.834000 15.9994 0 25984 WAT 3499 TIP3 H1 HT 0.417000 1.0080 0 25985 WAT 3499 TIP3 H2 HT 0.417000 1.0080 0 25986 WAT 3500 TIP3 OH2 OT -0.834000 15.9994 0 25987 WAT 3500 TIP3 H1 HT 0.417000 1.0080 0 25988 WAT 3500 TIP3 H2 HT 0.417000 1.0080 0 25989 WAT 3501 TIP3 OH2 OT -0.834000 15.9994 0 25990 WAT 3501 TIP3 H1 HT 0.417000 1.0080 0 25991 WAT 3501 TIP3 H2 HT 0.417000 1.0080 0 25992 WAT 3502 TIP3 OH2 OT -0.834000 15.9994 0 25993 WAT 3502 TIP3 H1 HT 0.417000 1.0080 0 25994 WAT 3502 TIP3 H2 HT 0.417000 1.0080 0 25995 WAT 3503 TIP3 OH2 OT -0.834000 15.9994 0 25996 WAT 3503 TIP3 H1 HT 0.417000 1.0080 0 25997 WAT 3503 TIP3 H2 HT 0.417000 1.0080 0 25998 WAT 3504 TIP3 OH2 OT -0.834000 15.9994 0 25999 WAT 3504 TIP3 H1 HT 0.417000 1.0080 0 26000 WAT 3504 TIP3 H2 HT 0.417000 1.0080 0 26001 WAT 3505 TIP3 OH2 OT -0.834000 15.9994 0 26002 WAT 3505 TIP3 H1 HT 0.417000 1.0080 0 26003 WAT 3505 TIP3 H2 HT 0.417000 1.0080 0 26004 WAT 3506 TIP3 OH2 OT -0.834000 15.9994 0 26005 WAT 3506 TIP3 H1 HT 0.417000 1.0080 0 26006 WAT 3506 TIP3 H2 HT 0.417000 1.0080 0 26007 WAT 3507 TIP3 OH2 OT -0.834000 15.9994 0 26008 WAT 3507 TIP3 H1 HT 0.417000 1.0080 0 26009 WAT 3507 TIP3 H2 HT 0.417000 1.0080 0 26010 WAT 3508 TIP3 OH2 OT -0.834000 15.9994 0 26011 WAT 3508 TIP3 H1 HT 0.417000 1.0080 0 26012 WAT 3508 TIP3 H2 HT 0.417000 1.0080 0 26013 WAT 3509 TIP3 OH2 OT -0.834000 15.9994 0 26014 WAT 3509 TIP3 H1 HT 0.417000 1.0080 0 26015 WAT 3509 TIP3 H2 HT 0.417000 1.0080 0 26016 WAT 3510 TIP3 OH2 OT -0.834000 15.9994 0 26017 WAT 3510 TIP3 H1 HT 0.417000 1.0080 0 26018 WAT 3510 TIP3 H2 HT 0.417000 1.0080 0 26019 WAT 3511 TIP3 OH2 OT -0.834000 15.9994 0 26020 WAT 3511 TIP3 H1 HT 0.417000 1.0080 0 26021 WAT 3511 TIP3 H2 HT 0.417000 1.0080 0 26022 WAT 3512 TIP3 OH2 OT -0.834000 15.9994 0 26023 WAT 3512 TIP3 H1 HT 0.417000 1.0080 0 26024 WAT 3512 TIP3 H2 HT 0.417000 1.0080 0 26025 WAT 3513 TIP3 OH2 OT -0.834000 15.9994 0 26026 WAT 3513 TIP3 H1 HT 0.417000 1.0080 0 26027 WAT 3513 TIP3 H2 HT 0.417000 1.0080 0 26028 WAT 3514 TIP3 OH2 OT -0.834000 15.9994 0 26029 WAT 3514 TIP3 H1 HT 0.417000 1.0080 0 26030 WAT 3514 TIP3 H2 HT 0.417000 1.0080 0 26031 WAT 3515 TIP3 OH2 OT -0.834000 15.9994 0 26032 WAT 3515 TIP3 H1 HT 0.417000 1.0080 0 26033 WAT 3515 TIP3 H2 HT 0.417000 1.0080 0 26034 WAT 3516 TIP3 OH2 OT -0.834000 15.9994 0 26035 WAT 3516 TIP3 H1 HT 0.417000 1.0080 0 26036 WAT 3516 TIP3 H2 HT 0.417000 1.0080 0 26037 WAT 3517 TIP3 OH2 OT -0.834000 15.9994 0 26038 WAT 3517 TIP3 H1 HT 0.417000 1.0080 0 26039 WAT 3517 TIP3 H2 HT 0.417000 1.0080 0 26040 WAT 3518 TIP3 OH2 OT -0.834000 15.9994 0 26041 WAT 3518 TIP3 H1 HT 0.417000 1.0080 0 26042 WAT 3518 TIP3 H2 HT 0.417000 1.0080 0 26043 WAT 3519 TIP3 OH2 OT -0.834000 15.9994 0 26044 WAT 3519 TIP3 H1 HT 0.417000 1.0080 0 26045 WAT 3519 TIP3 H2 HT 0.417000 1.0080 0 26046 WAT 3520 TIP3 OH2 OT -0.834000 15.9994 0 26047 WAT 3520 TIP3 H1 HT 0.417000 1.0080 0 26048 WAT 3520 TIP3 H2 HT 0.417000 1.0080 0 26049 WAT 3521 TIP3 OH2 OT -0.834000 15.9994 0 26050 WAT 3521 TIP3 H1 HT 0.417000 1.0080 0 26051 WAT 3521 TIP3 H2 HT 0.417000 1.0080 0 26052 WAT 3522 TIP3 OH2 OT -0.834000 15.9994 0 26053 WAT 3522 TIP3 H1 HT 0.417000 1.0080 0 26054 WAT 3522 TIP3 H2 HT 0.417000 1.0080 0 26055 WAT 3523 TIP3 OH2 OT -0.834000 15.9994 0 26056 WAT 3523 TIP3 H1 HT 0.417000 1.0080 0 26057 WAT 3523 TIP3 H2 HT 0.417000 1.0080 0 26058 WAT 3524 TIP3 OH2 OT -0.834000 15.9994 0 26059 WAT 3524 TIP3 H1 HT 0.417000 1.0080 0 26060 WAT 3524 TIP3 H2 HT 0.417000 1.0080 0 26061 WAT 3525 TIP3 OH2 OT -0.834000 15.9994 0 26062 WAT 3525 TIP3 H1 HT 0.417000 1.0080 0 26063 WAT 3525 TIP3 H2 HT 0.417000 1.0080 0 26064 WAT 3526 TIP3 OH2 OT -0.834000 15.9994 0 26065 WAT 3526 TIP3 H1 HT 0.417000 1.0080 0 26066 WAT 3526 TIP3 H2 HT 0.417000 1.0080 0 26067 WAT 3527 TIP3 OH2 OT -0.834000 15.9994 0 26068 WAT 3527 TIP3 H1 HT 0.417000 1.0080 0 26069 WAT 3527 TIP3 H2 HT 0.417000 1.0080 0 26070 WAT 3528 TIP3 OH2 OT -0.834000 15.9994 0 26071 WAT 3528 TIP3 H1 HT 0.417000 1.0080 0 26072 WAT 3528 TIP3 H2 HT 0.417000 1.0080 0 26073 WAT 3529 TIP3 OH2 OT -0.834000 15.9994 0 26074 WAT 3529 TIP3 H1 HT 0.417000 1.0080 0 26075 WAT 3529 TIP3 H2 HT 0.417000 1.0080 0 26076 WAT 3530 TIP3 OH2 OT -0.834000 15.9994 0 26077 WAT 3530 TIP3 H1 HT 0.417000 1.0080 0 26078 WAT 3530 TIP3 H2 HT 0.417000 1.0080 0 26079 WAT 3531 TIP3 OH2 OT -0.834000 15.9994 0 26080 WAT 3531 TIP3 H1 HT 0.417000 1.0080 0 26081 WAT 3531 TIP3 H2 HT 0.417000 1.0080 0 26082 WAT 3532 TIP3 OH2 OT -0.834000 15.9994 0 26083 WAT 3532 TIP3 H1 HT 0.417000 1.0080 0 26084 WAT 3532 TIP3 H2 HT 0.417000 1.0080 0 26085 WAT 3533 TIP3 OH2 OT -0.834000 15.9994 0 26086 WAT 3533 TIP3 H1 HT 0.417000 1.0080 0 26087 WAT 3533 TIP3 H2 HT 0.417000 1.0080 0 26088 WAT 3534 TIP3 OH2 OT -0.834000 15.9994 0 26089 WAT 3534 TIP3 H1 HT 0.417000 1.0080 0 26090 WAT 3534 TIP3 H2 HT 0.417000 1.0080 0 26091 WAT 3535 TIP3 OH2 OT -0.834000 15.9994 0 26092 WAT 3535 TIP3 H1 HT 0.417000 1.0080 0 26093 WAT 3535 TIP3 H2 HT 0.417000 1.0080 0 26094 WAT 3536 TIP3 OH2 OT -0.834000 15.9994 0 26095 WAT 3536 TIP3 H1 HT 0.417000 1.0080 0 26096 WAT 3536 TIP3 H2 HT 0.417000 1.0080 0 26097 WAT 3537 TIP3 OH2 OT -0.834000 15.9994 0 26098 WAT 3537 TIP3 H1 HT 0.417000 1.0080 0 26099 WAT 3537 TIP3 H2 HT 0.417000 1.0080 0 26100 WAT 3538 TIP3 OH2 OT -0.834000 15.9994 0 26101 WAT 3538 TIP3 H1 HT 0.417000 1.0080 0 26102 WAT 3538 TIP3 H2 HT 0.417000 1.0080 0 26103 WAT 3539 TIP3 OH2 OT -0.834000 15.9994 0 26104 WAT 3539 TIP3 H1 HT 0.417000 1.0080 0 26105 WAT 3539 TIP3 H2 HT 0.417000 1.0080 0 26106 WAT 3540 TIP3 OH2 OT -0.834000 15.9994 0 26107 WAT 3540 TIP3 H1 HT 0.417000 1.0080 0 26108 WAT 3540 TIP3 H2 HT 0.417000 1.0080 0 26109 WAT 3541 TIP3 OH2 OT -0.834000 15.9994 0 26110 WAT 3541 TIP3 H1 HT 0.417000 1.0080 0 26111 WAT 3541 TIP3 H2 HT 0.417000 1.0080 0 26112 WAT 3542 TIP3 OH2 OT -0.834000 15.9994 0 26113 WAT 3542 TIP3 H1 HT 0.417000 1.0080 0 26114 WAT 3542 TIP3 H2 HT 0.417000 1.0080 0 26115 WAT 3543 TIP3 OH2 OT -0.834000 15.9994 0 26116 WAT 3543 TIP3 H1 HT 0.417000 1.0080 0 26117 WAT 3543 TIP3 H2 HT 0.417000 1.0080 0 26118 WAT 3544 TIP3 OH2 OT -0.834000 15.9994 0 26119 WAT 3544 TIP3 H1 HT 0.417000 1.0080 0 26120 WAT 3544 TIP3 H2 HT 0.417000 1.0080 0 26121 WAT 3545 TIP3 OH2 OT -0.834000 15.9994 0 26122 WAT 3545 TIP3 H1 HT 0.417000 1.0080 0 26123 WAT 3545 TIP3 H2 HT 0.417000 1.0080 0 26124 WAT 3546 TIP3 OH2 OT -0.834000 15.9994 0 26125 WAT 3546 TIP3 H1 HT 0.417000 1.0080 0 26126 WAT 3546 TIP3 H2 HT 0.417000 1.0080 0 26127 WAT 3547 TIP3 OH2 OT -0.834000 15.9994 0 26128 WAT 3547 TIP3 H1 HT 0.417000 1.0080 0 26129 WAT 3547 TIP3 H2 HT 0.417000 1.0080 0 26130 WAT 3548 TIP3 OH2 OT -0.834000 15.9994 0 26131 WAT 3548 TIP3 H1 HT 0.417000 1.0080 0 26132 WAT 3548 TIP3 H2 HT 0.417000 1.0080 0 26133 WAT 3549 TIP3 OH2 OT -0.834000 15.9994 0 26134 WAT 3549 TIP3 H1 HT 0.417000 1.0080 0 26135 WAT 3549 TIP3 H2 HT 0.417000 1.0080 0 26136 WAT 3550 TIP3 OH2 OT -0.834000 15.9994 0 26137 WAT 3550 TIP3 H1 HT 0.417000 1.0080 0 26138 WAT 3550 TIP3 H2 HT 0.417000 1.0080 0 26139 WAT 3551 TIP3 OH2 OT -0.834000 15.9994 0 26140 WAT 3551 TIP3 H1 HT 0.417000 1.0080 0 26141 WAT 3551 TIP3 H2 HT 0.417000 1.0080 0 26142 WAT 3552 TIP3 OH2 OT -0.834000 15.9994 0 26143 WAT 3552 TIP3 H1 HT 0.417000 1.0080 0 26144 WAT 3552 TIP3 H2 HT 0.417000 1.0080 0 26145 WAT 3553 TIP3 OH2 OT -0.834000 15.9994 0 26146 WAT 3553 TIP3 H1 HT 0.417000 1.0080 0 26147 WAT 3553 TIP3 H2 HT 0.417000 1.0080 0 26148 WAT 3554 TIP3 OH2 OT -0.834000 15.9994 0 26149 WAT 3554 TIP3 H1 HT 0.417000 1.0080 0 26150 WAT 3554 TIP3 H2 HT 0.417000 1.0080 0 26151 WAT 3555 TIP3 OH2 OT -0.834000 15.9994 0 26152 WAT 3555 TIP3 H1 HT 0.417000 1.0080 0 26153 WAT 3555 TIP3 H2 HT 0.417000 1.0080 0 26154 WAT 3556 TIP3 OH2 OT -0.834000 15.9994 0 26155 WAT 3556 TIP3 H1 HT 0.417000 1.0080 0 26156 WAT 3556 TIP3 H2 HT 0.417000 1.0080 0 26157 WAT 3557 TIP3 OH2 OT -0.834000 15.9994 0 26158 WAT 3557 TIP3 H1 HT 0.417000 1.0080 0 26159 WAT 3557 TIP3 H2 HT 0.417000 1.0080 0 26160 WAT 3558 TIP3 OH2 OT -0.834000 15.9994 0 26161 WAT 3558 TIP3 H1 HT 0.417000 1.0080 0 26162 WAT 3558 TIP3 H2 HT 0.417000 1.0080 0 26163 WAT 3559 TIP3 OH2 OT -0.834000 15.9994 0 26164 WAT 3559 TIP3 H1 HT 0.417000 1.0080 0 26165 WAT 3559 TIP3 H2 HT 0.417000 1.0080 0 26166 WAT 3560 TIP3 OH2 OT -0.834000 15.9994 0 26167 WAT 3560 TIP3 H1 HT 0.417000 1.0080 0 26168 WAT 3560 TIP3 H2 HT 0.417000 1.0080 0 26169 WAT 3561 TIP3 OH2 OT -0.834000 15.9994 0 26170 WAT 3561 TIP3 H1 HT 0.417000 1.0080 0 26171 WAT 3561 TIP3 H2 HT 0.417000 1.0080 0 26172 WAT 3562 TIP3 OH2 OT -0.834000 15.9994 0 26173 WAT 3562 TIP3 H1 HT 0.417000 1.0080 0 26174 WAT 3562 TIP3 H2 HT 0.417000 1.0080 0 26175 WAT 3563 TIP3 OH2 OT -0.834000 15.9994 0 26176 WAT 3563 TIP3 H1 HT 0.417000 1.0080 0 26177 WAT 3563 TIP3 H2 HT 0.417000 1.0080 0 26178 WAT 3564 TIP3 OH2 OT -0.834000 15.9994 0 26179 WAT 3564 TIP3 H1 HT 0.417000 1.0080 0 26180 WAT 3564 TIP3 H2 HT 0.417000 1.0080 0 26181 WAT 3565 TIP3 OH2 OT -0.834000 15.9994 0 26182 WAT 3565 TIP3 H1 HT 0.417000 1.0080 0 26183 WAT 3565 TIP3 H2 HT 0.417000 1.0080 0 26184 WAT 3566 TIP3 OH2 OT -0.834000 15.9994 0 26185 WAT 3566 TIP3 H1 HT 0.417000 1.0080 0 26186 WAT 3566 TIP3 H2 HT 0.417000 1.0080 0 26187 WAT 3567 TIP3 OH2 OT -0.834000 15.9994 0 26188 WAT 3567 TIP3 H1 HT 0.417000 1.0080 0 26189 WAT 3567 TIP3 H2 HT 0.417000 1.0080 0 26190 WAT 3568 TIP3 OH2 OT -0.834000 15.9994 0 26191 WAT 3568 TIP3 H1 HT 0.417000 1.0080 0 26192 WAT 3568 TIP3 H2 HT 0.417000 1.0080 0 26193 WAT 3569 TIP3 OH2 OT -0.834000 15.9994 0 26194 WAT 3569 TIP3 H1 HT 0.417000 1.0080 0 26195 WAT 3569 TIP3 H2 HT 0.417000 1.0080 0 26196 WAT 3570 TIP3 OH2 OT -0.834000 15.9994 0 26197 WAT 3570 TIP3 H1 HT 0.417000 1.0080 0 26198 WAT 3570 TIP3 H2 HT 0.417000 1.0080 0 26199 WAT 3571 TIP3 OH2 OT -0.834000 15.9994 0 26200 WAT 3571 TIP3 H1 HT 0.417000 1.0080 0 26201 WAT 3571 TIP3 H2 HT 0.417000 1.0080 0 26202 WAT 3572 TIP3 OH2 OT -0.834000 15.9994 0 26203 WAT 3572 TIP3 H1 HT 0.417000 1.0080 0 26204 WAT 3572 TIP3 H2 HT 0.417000 1.0080 0 26205 WAT 3573 TIP3 OH2 OT -0.834000 15.9994 0 26206 WAT 3573 TIP3 H1 HT 0.417000 1.0080 0 26207 WAT 3573 TIP3 H2 HT 0.417000 1.0080 0 26208 WAT 3574 TIP3 OH2 OT -0.834000 15.9994 0 26209 WAT 3574 TIP3 H1 HT 0.417000 1.0080 0 26210 WAT 3574 TIP3 H2 HT 0.417000 1.0080 0 26211 WAT 3575 TIP3 OH2 OT -0.834000 15.9994 0 26212 WAT 3575 TIP3 H1 HT 0.417000 1.0080 0 26213 WAT 3575 TIP3 H2 HT 0.417000 1.0080 0 26214 WAT 3576 TIP3 OH2 OT -0.834000 15.9994 0 26215 WAT 3576 TIP3 H1 HT 0.417000 1.0080 0 26216 WAT 3576 TIP3 H2 HT 0.417000 1.0080 0 26217 WAT 3577 TIP3 OH2 OT -0.834000 15.9994 0 26218 WAT 3577 TIP3 H1 HT 0.417000 1.0080 0 26219 WAT 3577 TIP3 H2 HT 0.417000 1.0080 0 26220 WAT 3578 TIP3 OH2 OT -0.834000 15.9994 0 26221 WAT 3578 TIP3 H1 HT 0.417000 1.0080 0 26222 WAT 3578 TIP3 H2 HT 0.417000 1.0080 0 26223 WAT 3579 TIP3 OH2 OT -0.834000 15.9994 0 26224 WAT 3579 TIP3 H1 HT 0.417000 1.0080 0 26225 WAT 3579 TIP3 H2 HT 0.417000 1.0080 0 26226 WAT 3580 TIP3 OH2 OT -0.834000 15.9994 0 26227 WAT 3580 TIP3 H1 HT 0.417000 1.0080 0 26228 WAT 3580 TIP3 H2 HT 0.417000 1.0080 0 26229 WAT 3581 TIP3 OH2 OT -0.834000 15.9994 0 26230 WAT 3581 TIP3 H1 HT 0.417000 1.0080 0 26231 WAT 3581 TIP3 H2 HT 0.417000 1.0080 0 26232 WAT 3582 TIP3 OH2 OT -0.834000 15.9994 0 26233 WAT 3582 TIP3 H1 HT 0.417000 1.0080 0 26234 WAT 3582 TIP3 H2 HT 0.417000 1.0080 0 26235 WAT 3583 TIP3 OH2 OT -0.834000 15.9994 0 26236 WAT 3583 TIP3 H1 HT 0.417000 1.0080 0 26237 WAT 3583 TIP3 H2 HT 0.417000 1.0080 0 26238 WAT 3584 TIP3 OH2 OT -0.834000 15.9994 0 26239 WAT 3584 TIP3 H1 HT 0.417000 1.0080 0 26240 WAT 3584 TIP3 H2 HT 0.417000 1.0080 0 26241 WAT 3585 TIP3 OH2 OT -0.834000 15.9994 0 26242 WAT 3585 TIP3 H1 HT 0.417000 1.0080 0 26243 WAT 3585 TIP3 H2 HT 0.417000 1.0080 0 26244 WAT 3586 TIP3 OH2 OT -0.834000 15.9994 0 26245 WAT 3586 TIP3 H1 HT 0.417000 1.0080 0 26246 WAT 3586 TIP3 H2 HT 0.417000 1.0080 0 26247 WAT 3587 TIP3 OH2 OT -0.834000 15.9994 0 26248 WAT 3587 TIP3 H1 HT 0.417000 1.0080 0 26249 WAT 3587 TIP3 H2 HT 0.417000 1.0080 0 26250 WAT 3588 TIP3 OH2 OT -0.834000 15.9994 0 26251 WAT 3588 TIP3 H1 HT 0.417000 1.0080 0 26252 WAT 3588 TIP3 H2 HT 0.417000 1.0080 0 26253 WAT 3589 TIP3 OH2 OT -0.834000 15.9994 0 26254 WAT 3589 TIP3 H1 HT 0.417000 1.0080 0 26255 WAT 3589 TIP3 H2 HT 0.417000 1.0080 0 26256 WAT 3590 TIP3 OH2 OT -0.834000 15.9994 0 26257 WAT 3590 TIP3 H1 HT 0.417000 1.0080 0 26258 WAT 3590 TIP3 H2 HT 0.417000 1.0080 0 26259 WAT 3591 TIP3 OH2 OT -0.834000 15.9994 0 26260 WAT 3591 TIP3 H1 HT 0.417000 1.0080 0 26261 WAT 3591 TIP3 H2 HT 0.417000 1.0080 0 26262 WAT 3592 TIP3 OH2 OT -0.834000 15.9994 0 26263 WAT 3592 TIP3 H1 HT 0.417000 1.0080 0 26264 WAT 3592 TIP3 H2 HT 0.417000 1.0080 0 26265 WAT 3593 TIP3 OH2 OT -0.834000 15.9994 0 26266 WAT 3593 TIP3 H1 HT 0.417000 1.0080 0 26267 WAT 3593 TIP3 H2 HT 0.417000 1.0080 0 26268 WAT 3594 TIP3 OH2 OT -0.834000 15.9994 0 26269 WAT 3594 TIP3 H1 HT 0.417000 1.0080 0 26270 WAT 3594 TIP3 H2 HT 0.417000 1.0080 0 26271 WAT 3595 TIP3 OH2 OT -0.834000 15.9994 0 26272 WAT 3595 TIP3 H1 HT 0.417000 1.0080 0 26273 WAT 3595 TIP3 H2 HT 0.417000 1.0080 0 26274 WAT 3596 TIP3 OH2 OT -0.834000 15.9994 0 26275 WAT 3596 TIP3 H1 HT 0.417000 1.0080 0 26276 WAT 3596 TIP3 H2 HT 0.417000 1.0080 0 26277 WAT 3597 TIP3 OH2 OT -0.834000 15.9994 0 26278 WAT 3597 TIP3 H1 HT 0.417000 1.0080 0 26279 WAT 3597 TIP3 H2 HT 0.417000 1.0080 0 26280 WAT 3598 TIP3 OH2 OT -0.834000 15.9994 0 26281 WAT 3598 TIP3 H1 HT 0.417000 1.0080 0 26282 WAT 3598 TIP3 H2 HT 0.417000 1.0080 0 26283 WAT 3599 TIP3 OH2 OT -0.834000 15.9994 0 26284 WAT 3599 TIP3 H1 HT 0.417000 1.0080 0 26285 WAT 3599 TIP3 H2 HT 0.417000 1.0080 0 26286 WAT 3600 TIP3 OH2 OT -0.834000 15.9994 0 26287 WAT 3600 TIP3 H1 HT 0.417000 1.0080 0 26288 WAT 3600 TIP3 H2 HT 0.417000 1.0080 0 26289 WAT 3601 TIP3 OH2 OT -0.834000 15.9994 0 26290 WAT 3601 TIP3 H1 HT 0.417000 1.0080 0 26291 WAT 3601 TIP3 H2 HT 0.417000 1.0080 0 26292 WAT 3602 TIP3 OH2 OT -0.834000 15.9994 0 26293 WAT 3602 TIP3 H1 HT 0.417000 1.0080 0 26294 WAT 3602 TIP3 H2 HT 0.417000 1.0080 0 26295 WAT 3603 TIP3 OH2 OT -0.834000 15.9994 0 26296 WAT 3603 TIP3 H1 HT 0.417000 1.0080 0 26297 WAT 3603 TIP3 H2 HT 0.417000 1.0080 0 26298 WAT 3604 TIP3 OH2 OT -0.834000 15.9994 0 26299 WAT 3604 TIP3 H1 HT 0.417000 1.0080 0 26300 WAT 3604 TIP3 H2 HT 0.417000 1.0080 0 26301 WAT 3605 TIP3 OH2 OT -0.834000 15.9994 0 26302 WAT 3605 TIP3 H1 HT 0.417000 1.0080 0 26303 WAT 3605 TIP3 H2 HT 0.417000 1.0080 0 26304 WAT 3606 TIP3 OH2 OT -0.834000 15.9994 0 26305 WAT 3606 TIP3 H1 HT 0.417000 1.0080 0 26306 WAT 3606 TIP3 H2 HT 0.417000 1.0080 0 26307 WAT 3607 TIP3 OH2 OT -0.834000 15.9994 0 26308 WAT 3607 TIP3 H1 HT 0.417000 1.0080 0 26309 WAT 3607 TIP3 H2 HT 0.417000 1.0080 0 26310 WAT 3608 TIP3 OH2 OT -0.834000 15.9994 0 26311 WAT 3608 TIP3 H1 HT 0.417000 1.0080 0 26312 WAT 3608 TIP3 H2 HT 0.417000 1.0080 0 26313 WAT 3609 TIP3 OH2 OT -0.834000 15.9994 0 26314 WAT 3609 TIP3 H1 HT 0.417000 1.0080 0 26315 WAT 3609 TIP3 H2 HT 0.417000 1.0080 0 26316 WAT 3610 TIP3 OH2 OT -0.834000 15.9994 0 26317 WAT 3610 TIP3 H1 HT 0.417000 1.0080 0 26318 WAT 3610 TIP3 H2 HT 0.417000 1.0080 0 26319 WAT 3611 TIP3 OH2 OT -0.834000 15.9994 0 26320 WAT 3611 TIP3 H1 HT 0.417000 1.0080 0 26321 WAT 3611 TIP3 H2 HT 0.417000 1.0080 0 26322 WAT 3612 TIP3 OH2 OT -0.834000 15.9994 0 26323 WAT 3612 TIP3 H1 HT 0.417000 1.0080 0 26324 WAT 3612 TIP3 H2 HT 0.417000 1.0080 0 26325 WAT 3613 TIP3 OH2 OT -0.834000 15.9994 0 26326 WAT 3613 TIP3 H1 HT 0.417000 1.0080 0 26327 WAT 3613 TIP3 H2 HT 0.417000 1.0080 0 26328 WAT 3614 TIP3 OH2 OT -0.834000 15.9994 0 26329 WAT 3614 TIP3 H1 HT 0.417000 1.0080 0 26330 WAT 3614 TIP3 H2 HT 0.417000 1.0080 0 26331 WAT 3615 TIP3 OH2 OT -0.834000 15.9994 0 26332 WAT 3615 TIP3 H1 HT 0.417000 1.0080 0 26333 WAT 3615 TIP3 H2 HT 0.417000 1.0080 0 26334 WAT 3616 TIP3 OH2 OT -0.834000 15.9994 0 26335 WAT 3616 TIP3 H1 HT 0.417000 1.0080 0 26336 WAT 3616 TIP3 H2 HT 0.417000 1.0080 0 26337 WAT 3617 TIP3 OH2 OT -0.834000 15.9994 0 26338 WAT 3617 TIP3 H1 HT 0.417000 1.0080 0 26339 WAT 3617 TIP3 H2 HT 0.417000 1.0080 0 26340 WAT 3618 TIP3 OH2 OT -0.834000 15.9994 0 26341 WAT 3618 TIP3 H1 HT 0.417000 1.0080 0 26342 WAT 3618 TIP3 H2 HT 0.417000 1.0080 0 26343 WAT 3619 TIP3 OH2 OT -0.834000 15.9994 0 26344 WAT 3619 TIP3 H1 HT 0.417000 1.0080 0 26345 WAT 3619 TIP3 H2 HT 0.417000 1.0080 0 26346 WAT 3620 TIP3 OH2 OT -0.834000 15.9994 0 26347 WAT 3620 TIP3 H1 HT 0.417000 1.0080 0 26348 WAT 3620 TIP3 H2 HT 0.417000 1.0080 0 26349 WAT 3621 TIP3 OH2 OT -0.834000 15.9994 0 26350 WAT 3621 TIP3 H1 HT 0.417000 1.0080 0 26351 WAT 3621 TIP3 H2 HT 0.417000 1.0080 0 26352 WAT 3622 TIP3 OH2 OT -0.834000 15.9994 0 26353 WAT 3622 TIP3 H1 HT 0.417000 1.0080 0 26354 WAT 3622 TIP3 H2 HT 0.417000 1.0080 0 26355 WAT 3623 TIP3 OH2 OT -0.834000 15.9994 0 26356 WAT 3623 TIP3 H1 HT 0.417000 1.0080 0 26357 WAT 3623 TIP3 H2 HT 0.417000 1.0080 0 26358 WAT 3624 TIP3 OH2 OT -0.834000 15.9994 0 26359 WAT 3624 TIP3 H1 HT 0.417000 1.0080 0 26360 WAT 3624 TIP3 H2 HT 0.417000 1.0080 0 26361 WAT 3625 TIP3 OH2 OT -0.834000 15.9994 0 26362 WAT 3625 TIP3 H1 HT 0.417000 1.0080 0 26363 WAT 3625 TIP3 H2 HT 0.417000 1.0080 0 26364 WAT 3626 TIP3 OH2 OT -0.834000 15.9994 0 26365 WAT 3626 TIP3 H1 HT 0.417000 1.0080 0 26366 WAT 3626 TIP3 H2 HT 0.417000 1.0080 0 26367 WAT 3627 TIP3 OH2 OT -0.834000 15.9994 0 26368 WAT 3627 TIP3 H1 HT 0.417000 1.0080 0 26369 WAT 3627 TIP3 H2 HT 0.417000 1.0080 0 26370 WAT 3628 TIP3 OH2 OT -0.834000 15.9994 0 26371 WAT 3628 TIP3 H1 HT 0.417000 1.0080 0 26372 WAT 3628 TIP3 H2 HT 0.417000 1.0080 0 26373 WAT 3629 TIP3 OH2 OT -0.834000 15.9994 0 26374 WAT 3629 TIP3 H1 HT 0.417000 1.0080 0 26375 WAT 3629 TIP3 H2 HT 0.417000 1.0080 0 26376 WAT 3630 TIP3 OH2 OT -0.834000 15.9994 0 26377 WAT 3630 TIP3 H1 HT 0.417000 1.0080 0 26378 WAT 3630 TIP3 H2 HT 0.417000 1.0080 0 26379 WAT 3631 TIP3 OH2 OT -0.834000 15.9994 0 26380 WAT 3631 TIP3 H1 HT 0.417000 1.0080 0 26381 WAT 3631 TIP3 H2 HT 0.417000 1.0080 0 26382 WAT 3632 TIP3 OH2 OT -0.834000 15.9994 0 26383 WAT 3632 TIP3 H1 HT 0.417000 1.0080 0 26384 WAT 3632 TIP3 H2 HT 0.417000 1.0080 0 26385 WAT 3633 TIP3 OH2 OT -0.834000 15.9994 0 26386 WAT 3633 TIP3 H1 HT 0.417000 1.0080 0 26387 WAT 3633 TIP3 H2 HT 0.417000 1.0080 0 26388 WAT 3634 TIP3 OH2 OT -0.834000 15.9994 0 26389 WAT 3634 TIP3 H1 HT 0.417000 1.0080 0 26390 WAT 3634 TIP3 H2 HT 0.417000 1.0080 0 26391 WAT 3635 TIP3 OH2 OT -0.834000 15.9994 0 26392 WAT 3635 TIP3 H1 HT 0.417000 1.0080 0 26393 WAT 3635 TIP3 H2 HT 0.417000 1.0080 0 26394 WAT 3636 TIP3 OH2 OT -0.834000 15.9994 0 26395 WAT 3636 TIP3 H1 HT 0.417000 1.0080 0 26396 WAT 3636 TIP3 H2 HT 0.417000 1.0080 0 26397 WAT 3637 TIP3 OH2 OT -0.834000 15.9994 0 26398 WAT 3637 TIP3 H1 HT 0.417000 1.0080 0 26399 WAT 3637 TIP3 H2 HT 0.417000 1.0080 0 26400 WAT 3638 TIP3 OH2 OT -0.834000 15.9994 0 26401 WAT 3638 TIP3 H1 HT 0.417000 1.0080 0 26402 WAT 3638 TIP3 H2 HT 0.417000 1.0080 0 26403 WAT 3639 TIP3 OH2 OT -0.834000 15.9994 0 26404 WAT 3639 TIP3 H1 HT 0.417000 1.0080 0 26405 WAT 3639 TIP3 H2 HT 0.417000 1.0080 0 26406 WAT 3640 TIP3 OH2 OT -0.834000 15.9994 0 26407 WAT 3640 TIP3 H1 HT 0.417000 1.0080 0 26408 WAT 3640 TIP3 H2 HT 0.417000 1.0080 0 26409 WAT 3641 TIP3 OH2 OT -0.834000 15.9994 0 26410 WAT 3641 TIP3 H1 HT 0.417000 1.0080 0 26411 WAT 3641 TIP3 H2 HT 0.417000 1.0080 0 26412 WAT 3642 TIP3 OH2 OT -0.834000 15.9994 0 26413 WAT 3642 TIP3 H1 HT 0.417000 1.0080 0 26414 WAT 3642 TIP3 H2 HT 0.417000 1.0080 0 26415 WAT 3643 TIP3 OH2 OT -0.834000 15.9994 0 26416 WAT 3643 TIP3 H1 HT 0.417000 1.0080 0 26417 WAT 3643 TIP3 H2 HT 0.417000 1.0080 0 26418 WAT 3644 TIP3 OH2 OT -0.834000 15.9994 0 26419 WAT 3644 TIP3 H1 HT 0.417000 1.0080 0 26420 WAT 3644 TIP3 H2 HT 0.417000 1.0080 0 26421 WAT 3645 TIP3 OH2 OT -0.834000 15.9994 0 26422 WAT 3645 TIP3 H1 HT 0.417000 1.0080 0 26423 WAT 3645 TIP3 H2 HT 0.417000 1.0080 0 26424 WAT 3646 TIP3 OH2 OT -0.834000 15.9994 0 26425 WAT 3646 TIP3 H1 HT 0.417000 1.0080 0 26426 WAT 3646 TIP3 H2 HT 0.417000 1.0080 0 26427 WAT 3647 TIP3 OH2 OT -0.834000 15.9994 0 26428 WAT 3647 TIP3 H1 HT 0.417000 1.0080 0 26429 WAT 3647 TIP3 H2 HT 0.417000 1.0080 0 26430 WAT 3648 TIP3 OH2 OT -0.834000 15.9994 0 26431 WAT 3648 TIP3 H1 HT 0.417000 1.0080 0 26432 WAT 3648 TIP3 H2 HT 0.417000 1.0080 0 26433 WAT 3649 TIP3 OH2 OT -0.834000 15.9994 0 26434 WAT 3649 TIP3 H1 HT 0.417000 1.0080 0 26435 WAT 3649 TIP3 H2 HT 0.417000 1.0080 0 26436 WAT 3650 TIP3 OH2 OT -0.834000 15.9994 0 26437 WAT 3650 TIP3 H1 HT 0.417000 1.0080 0 26438 WAT 3650 TIP3 H2 HT 0.417000 1.0080 0 26439 WAT 3651 TIP3 OH2 OT -0.834000 15.9994 0 26440 WAT 3651 TIP3 H1 HT 0.417000 1.0080 0 26441 WAT 3651 TIP3 H2 HT 0.417000 1.0080 0 26442 WAT 3652 TIP3 OH2 OT -0.834000 15.9994 0 26443 WAT 3652 TIP3 H1 HT 0.417000 1.0080 0 26444 WAT 3652 TIP3 H2 HT 0.417000 1.0080 0 26445 WAT 3653 TIP3 OH2 OT -0.834000 15.9994 0 26446 WAT 3653 TIP3 H1 HT 0.417000 1.0080 0 26447 WAT 3653 TIP3 H2 HT 0.417000 1.0080 0 26448 WAT 3654 TIP3 OH2 OT -0.834000 15.9994 0 26449 WAT 3654 TIP3 H1 HT 0.417000 1.0080 0 26450 WAT 3654 TIP3 H2 HT 0.417000 1.0080 0 26451 WAT 3655 TIP3 OH2 OT -0.834000 15.9994 0 26452 WAT 3655 TIP3 H1 HT 0.417000 1.0080 0 26453 WAT 3655 TIP3 H2 HT 0.417000 1.0080 0 26454 WAT 3656 TIP3 OH2 OT -0.834000 15.9994 0 26455 WAT 3656 TIP3 H1 HT 0.417000 1.0080 0 26456 WAT 3656 TIP3 H2 HT 0.417000 1.0080 0 26457 WAT 3657 TIP3 OH2 OT -0.834000 15.9994 0 26458 WAT 3657 TIP3 H1 HT 0.417000 1.0080 0 26459 WAT 3657 TIP3 H2 HT 0.417000 1.0080 0 26460 WAT 3658 TIP3 OH2 OT -0.834000 15.9994 0 26461 WAT 3658 TIP3 H1 HT 0.417000 1.0080 0 26462 WAT 3658 TIP3 H2 HT 0.417000 1.0080 0 26463 WAT 3659 TIP3 OH2 OT -0.834000 15.9994 0 26464 WAT 3659 TIP3 H1 HT 0.417000 1.0080 0 26465 WAT 3659 TIP3 H2 HT 0.417000 1.0080 0 26466 WAT 3660 TIP3 OH2 OT -0.834000 15.9994 0 26467 WAT 3660 TIP3 H1 HT 0.417000 1.0080 0 26468 WAT 3660 TIP3 H2 HT 0.417000 1.0080 0 26469 WAT 3661 TIP3 OH2 OT -0.834000 15.9994 0 26470 WAT 3661 TIP3 H1 HT 0.417000 1.0080 0 26471 WAT 3661 TIP3 H2 HT 0.417000 1.0080 0 26472 WAT 3662 TIP3 OH2 OT -0.834000 15.9994 0 26473 WAT 3662 TIP3 H1 HT 0.417000 1.0080 0 26474 WAT 3662 TIP3 H2 HT 0.417000 1.0080 0 26475 WAT 3663 TIP3 OH2 OT -0.834000 15.9994 0 26476 WAT 3663 TIP3 H1 HT 0.417000 1.0080 0 26477 WAT 3663 TIP3 H2 HT 0.417000 1.0080 0 26478 WAT 3664 TIP3 OH2 OT -0.834000 15.9994 0 26479 WAT 3664 TIP3 H1 HT 0.417000 1.0080 0 26480 WAT 3664 TIP3 H2 HT 0.417000 1.0080 0 26481 WAT 3665 TIP3 OH2 OT -0.834000 15.9994 0 26482 WAT 3665 TIP3 H1 HT 0.417000 1.0080 0 26483 WAT 3665 TIP3 H2 HT 0.417000 1.0080 0 26484 WAT 3666 TIP3 OH2 OT -0.834000 15.9994 0 26485 WAT 3666 TIP3 H1 HT 0.417000 1.0080 0 26486 WAT 3666 TIP3 H2 HT 0.417000 1.0080 0 26487 WAT 3667 TIP3 OH2 OT -0.834000 15.9994 0 26488 WAT 3667 TIP3 H1 HT 0.417000 1.0080 0 26489 WAT 3667 TIP3 H2 HT 0.417000 1.0080 0 26490 WAT 3668 TIP3 OH2 OT -0.834000 15.9994 0 26491 WAT 3668 TIP3 H1 HT 0.417000 1.0080 0 26492 WAT 3668 TIP3 H2 HT 0.417000 1.0080 0 26493 WAT 3669 TIP3 OH2 OT -0.834000 15.9994 0 26494 WAT 3669 TIP3 H1 HT 0.417000 1.0080 0 26495 WAT 3669 TIP3 H2 HT 0.417000 1.0080 0 26496 WAT 3670 TIP3 OH2 OT -0.834000 15.9994 0 26497 WAT 3670 TIP3 H1 HT 0.417000 1.0080 0 26498 WAT 3670 TIP3 H2 HT 0.417000 1.0080 0 26499 WAT 3671 TIP3 OH2 OT -0.834000 15.9994 0 26500 WAT 3671 TIP3 H1 HT 0.417000 1.0080 0 26501 WAT 3671 TIP3 H2 HT 0.417000 1.0080 0 26502 WAT 3672 TIP3 OH2 OT -0.834000 15.9994 0 26503 WAT 3672 TIP3 H1 HT 0.417000 1.0080 0 26504 WAT 3672 TIP3 H2 HT 0.417000 1.0080 0 26505 WAT 3673 TIP3 OH2 OT -0.834000 15.9994 0 26506 WAT 3673 TIP3 H1 HT 0.417000 1.0080 0 26507 WAT 3673 TIP3 H2 HT 0.417000 1.0080 0 26508 WAT 3674 TIP3 OH2 OT -0.834000 15.9994 0 26509 WAT 3674 TIP3 H1 HT 0.417000 1.0080 0 26510 WAT 3674 TIP3 H2 HT 0.417000 1.0080 0 26511 WAT 3675 TIP3 OH2 OT -0.834000 15.9994 0 26512 WAT 3675 TIP3 H1 HT 0.417000 1.0080 0 26513 WAT 3675 TIP3 H2 HT 0.417000 1.0080 0 26514 WAT 3676 TIP3 OH2 OT -0.834000 15.9994 0 26515 WAT 3676 TIP3 H1 HT 0.417000 1.0080 0 26516 WAT 3676 TIP3 H2 HT 0.417000 1.0080 0 26517 WAT 3677 TIP3 OH2 OT -0.834000 15.9994 0 26518 WAT 3677 TIP3 H1 HT 0.417000 1.0080 0 26519 WAT 3677 TIP3 H2 HT 0.417000 1.0080 0 26520 WAT 3678 TIP3 OH2 OT -0.834000 15.9994 0 26521 WAT 3678 TIP3 H1 HT 0.417000 1.0080 0 26522 WAT 3678 TIP3 H2 HT 0.417000 1.0080 0 26523 WAT 3679 TIP3 OH2 OT -0.834000 15.9994 0 26524 WAT 3679 TIP3 H1 HT 0.417000 1.0080 0 26525 WAT 3679 TIP3 H2 HT 0.417000 1.0080 0 26526 WAT 3680 TIP3 OH2 OT -0.834000 15.9994 0 26527 WAT 3680 TIP3 H1 HT 0.417000 1.0080 0 26528 WAT 3680 TIP3 H2 HT 0.417000 1.0080 0 26529 WAT 3681 TIP3 OH2 OT -0.834000 15.9994 0 26530 WAT 3681 TIP3 H1 HT 0.417000 1.0080 0 26531 WAT 3681 TIP3 H2 HT 0.417000 1.0080 0 26532 WAT 3682 TIP3 OH2 OT -0.834000 15.9994 0 26533 WAT 3682 TIP3 H1 HT 0.417000 1.0080 0 26534 WAT 3682 TIP3 H2 HT 0.417000 1.0080 0 26535 WAT 3683 TIP3 OH2 OT -0.834000 15.9994 0 26536 WAT 3683 TIP3 H1 HT 0.417000 1.0080 0 26537 WAT 3683 TIP3 H2 HT 0.417000 1.0080 0 26538 WAT 3684 TIP3 OH2 OT -0.834000 15.9994 0 26539 WAT 3684 TIP3 H1 HT 0.417000 1.0080 0 26540 WAT 3684 TIP3 H2 HT 0.417000 1.0080 0 26541 WAT 3685 TIP3 OH2 OT -0.834000 15.9994 0 26542 WAT 3685 TIP3 H1 HT 0.417000 1.0080 0 26543 WAT 3685 TIP3 H2 HT 0.417000 1.0080 0 26544 WAT 3686 TIP3 OH2 OT -0.834000 15.9994 0 26545 WAT 3686 TIP3 H1 HT 0.417000 1.0080 0 26546 WAT 3686 TIP3 H2 HT 0.417000 1.0080 0 26547 WAT 3687 TIP3 OH2 OT -0.834000 15.9994 0 26548 WAT 3687 TIP3 H1 HT 0.417000 1.0080 0 26549 WAT 3687 TIP3 H2 HT 0.417000 1.0080 0 26550 WAT 3688 TIP3 OH2 OT -0.834000 15.9994 0 26551 WAT 3688 TIP3 H1 HT 0.417000 1.0080 0 26552 WAT 3688 TIP3 H2 HT 0.417000 1.0080 0 26553 WAT 3689 TIP3 OH2 OT -0.834000 15.9994 0 26554 WAT 3689 TIP3 H1 HT 0.417000 1.0080 0 26555 WAT 3689 TIP3 H2 HT 0.417000 1.0080 0 26556 WAT 3690 TIP3 OH2 OT -0.834000 15.9994 0 26557 WAT 3690 TIP3 H1 HT 0.417000 1.0080 0 26558 WAT 3690 TIP3 H2 HT 0.417000 1.0080 0 26559 WAT 3691 TIP3 OH2 OT -0.834000 15.9994 0 26560 WAT 3691 TIP3 H1 HT 0.417000 1.0080 0 26561 WAT 3691 TIP3 H2 HT 0.417000 1.0080 0 26562 WAT 3692 TIP3 OH2 OT -0.834000 15.9994 0 26563 WAT 3692 TIP3 H1 HT 0.417000 1.0080 0 26564 WAT 3692 TIP3 H2 HT 0.417000 1.0080 0 26565 WAT 3693 TIP3 OH2 OT -0.834000 15.9994 0 26566 WAT 3693 TIP3 H1 HT 0.417000 1.0080 0 26567 WAT 3693 TIP3 H2 HT 0.417000 1.0080 0 26568 WAT 3694 TIP3 OH2 OT -0.834000 15.9994 0 26569 WAT 3694 TIP3 H1 HT 0.417000 1.0080 0 26570 WAT 3694 TIP3 H2 HT 0.417000 1.0080 0 26571 WAT 3695 TIP3 OH2 OT -0.834000 15.9994 0 26572 WAT 3695 TIP3 H1 HT 0.417000 1.0080 0 26573 WAT 3695 TIP3 H2 HT 0.417000 1.0080 0 26574 WAT 3696 TIP3 OH2 OT -0.834000 15.9994 0 26575 WAT 3696 TIP3 H1 HT 0.417000 1.0080 0 26576 WAT 3696 TIP3 H2 HT 0.417000 1.0080 0 26577 WAT 3697 TIP3 OH2 OT -0.834000 15.9994 0 26578 WAT 3697 TIP3 H1 HT 0.417000 1.0080 0 26579 WAT 3697 TIP3 H2 HT 0.417000 1.0080 0 26580 WAT 3698 TIP3 OH2 OT -0.834000 15.9994 0 26581 WAT 3698 TIP3 H1 HT 0.417000 1.0080 0 26582 WAT 3698 TIP3 H2 HT 0.417000 1.0080 0 26583 WAT 3699 TIP3 OH2 OT -0.834000 15.9994 0 26584 WAT 3699 TIP3 H1 HT 0.417000 1.0080 0 26585 WAT 3699 TIP3 H2 HT 0.417000 1.0080 0 26586 WAT 3700 TIP3 OH2 OT -0.834000 15.9994 0 26587 WAT 3700 TIP3 H1 HT 0.417000 1.0080 0 26588 WAT 3700 TIP3 H2 HT 0.417000 1.0080 0 26589 WAT 3701 TIP3 OH2 OT -0.834000 15.9994 0 26590 WAT 3701 TIP3 H1 HT 0.417000 1.0080 0 26591 WAT 3701 TIP3 H2 HT 0.417000 1.0080 0 26592 WAT 3702 TIP3 OH2 OT -0.834000 15.9994 0 26593 WAT 3702 TIP3 H1 HT 0.417000 1.0080 0 26594 WAT 3702 TIP3 H2 HT 0.417000 1.0080 0 26595 WAT 3703 TIP3 OH2 OT -0.834000 15.9994 0 26596 WAT 3703 TIP3 H1 HT 0.417000 1.0080 0 26597 WAT 3703 TIP3 H2 HT 0.417000 1.0080 0 26598 WAT 3704 TIP3 OH2 OT -0.834000 15.9994 0 26599 WAT 3704 TIP3 H1 HT 0.417000 1.0080 0 26600 WAT 3704 TIP3 H2 HT 0.417000 1.0080 0 26601 WAT 3705 TIP3 OH2 OT -0.834000 15.9994 0 26602 WAT 3705 TIP3 H1 HT 0.417000 1.0080 0 26603 WAT 3705 TIP3 H2 HT 0.417000 1.0080 0 26604 WAT 3706 TIP3 OH2 OT -0.834000 15.9994 0 26605 WAT 3706 TIP3 H1 HT 0.417000 1.0080 0 26606 WAT 3706 TIP3 H2 HT 0.417000 1.0080 0 26607 WAT 3707 TIP3 OH2 OT -0.834000 15.9994 0 26608 WAT 3707 TIP3 H1 HT 0.417000 1.0080 0 26609 WAT 3707 TIP3 H2 HT 0.417000 1.0080 0 26610 WAT 3708 TIP3 OH2 OT -0.834000 15.9994 0 26611 WAT 3708 TIP3 H1 HT 0.417000 1.0080 0 26612 WAT 3708 TIP3 H2 HT 0.417000 1.0080 0 26613 WAT 3709 TIP3 OH2 OT -0.834000 15.9994 0 26614 WAT 3709 TIP3 H1 HT 0.417000 1.0080 0 26615 WAT 3709 TIP3 H2 HT 0.417000 1.0080 0 26616 WAT 3710 TIP3 OH2 OT -0.834000 15.9994 0 26617 WAT 3710 TIP3 H1 HT 0.417000 1.0080 0 26618 WAT 3710 TIP3 H2 HT 0.417000 1.0080 0 26619 WAT 3711 TIP3 OH2 OT -0.834000 15.9994 0 26620 WAT 3711 TIP3 H1 HT 0.417000 1.0080 0 26621 WAT 3711 TIP3 H2 HT 0.417000 1.0080 0 26622 WAT 3712 TIP3 OH2 OT -0.834000 15.9994 0 26623 WAT 3712 TIP3 H1 HT 0.417000 1.0080 0 26624 WAT 3712 TIP3 H2 HT 0.417000 1.0080 0 26625 WAT 3713 TIP3 OH2 OT -0.834000 15.9994 0 26626 WAT 3713 TIP3 H1 HT 0.417000 1.0080 0 26627 WAT 3713 TIP3 H2 HT 0.417000 1.0080 0 26628 WAT 3714 TIP3 OH2 OT -0.834000 15.9994 0 26629 WAT 3714 TIP3 H1 HT 0.417000 1.0080 0 26630 WAT 3714 TIP3 H2 HT 0.417000 1.0080 0 26631 WAT 3715 TIP3 OH2 OT -0.834000 15.9994 0 26632 WAT 3715 TIP3 H1 HT 0.417000 1.0080 0 26633 WAT 3715 TIP3 H2 HT 0.417000 1.0080 0 26634 WAT 3716 TIP3 OH2 OT -0.834000 15.9994 0 26635 WAT 3716 TIP3 H1 HT 0.417000 1.0080 0 26636 WAT 3716 TIP3 H2 HT 0.417000 1.0080 0 26637 WAT 3717 TIP3 OH2 OT -0.834000 15.9994 0 26638 WAT 3717 TIP3 H1 HT 0.417000 1.0080 0 26639 WAT 3717 TIP3 H2 HT 0.417000 1.0080 0 26640 WAT 3718 TIP3 OH2 OT -0.834000 15.9994 0 26641 WAT 3718 TIP3 H1 HT 0.417000 1.0080 0 26642 WAT 3718 TIP3 H2 HT 0.417000 1.0080 0 26643 WAT 3719 TIP3 OH2 OT -0.834000 15.9994 0 26644 WAT 3719 TIP3 H1 HT 0.417000 1.0080 0 26645 WAT 3719 TIP3 H2 HT 0.417000 1.0080 0 26646 WAT 3720 TIP3 OH2 OT -0.834000 15.9994 0 26647 WAT 3720 TIP3 H1 HT 0.417000 1.0080 0 26648 WAT 3720 TIP3 H2 HT 0.417000 1.0080 0 26649 WAT 3721 TIP3 OH2 OT -0.834000 15.9994 0 26650 WAT 3721 TIP3 H1 HT 0.417000 1.0080 0 26651 WAT 3721 TIP3 H2 HT 0.417000 1.0080 0 26652 WAT 3722 TIP3 OH2 OT -0.834000 15.9994 0 26653 WAT 3722 TIP3 H1 HT 0.417000 1.0080 0 26654 WAT 3722 TIP3 H2 HT 0.417000 1.0080 0 26655 WAT 3723 TIP3 OH2 OT -0.834000 15.9994 0 26656 WAT 3723 TIP3 H1 HT 0.417000 1.0080 0 26657 WAT 3723 TIP3 H2 HT 0.417000 1.0080 0 26658 WAT 3724 TIP3 OH2 OT -0.834000 15.9994 0 26659 WAT 3724 TIP3 H1 HT 0.417000 1.0080 0 26660 WAT 3724 TIP3 H2 HT 0.417000 1.0080 0 26661 WAT 3725 TIP3 OH2 OT -0.834000 15.9994 0 26662 WAT 3725 TIP3 H1 HT 0.417000 1.0080 0 26663 WAT 3725 TIP3 H2 HT 0.417000 1.0080 0 26664 WAT 3726 TIP3 OH2 OT -0.834000 15.9994 0 26665 WAT 3726 TIP3 H1 HT 0.417000 1.0080 0 26666 WAT 3726 TIP3 H2 HT 0.417000 1.0080 0 26667 WAT 3727 TIP3 OH2 OT -0.834000 15.9994 0 26668 WAT 3727 TIP3 H1 HT 0.417000 1.0080 0 26669 WAT 3727 TIP3 H2 HT 0.417000 1.0080 0 26670 WAT 3728 TIP3 OH2 OT -0.834000 15.9994 0 26671 WAT 3728 TIP3 H1 HT 0.417000 1.0080 0 26672 WAT 3728 TIP3 H2 HT 0.417000 1.0080 0 26673 WAT 3729 TIP3 OH2 OT -0.834000 15.9994 0 26674 WAT 3729 TIP3 H1 HT 0.417000 1.0080 0 26675 WAT 3729 TIP3 H2 HT 0.417000 1.0080 0 26676 WAT 3730 TIP3 OH2 OT -0.834000 15.9994 0 26677 WAT 3730 TIP3 H1 HT 0.417000 1.0080 0 26678 WAT 3730 TIP3 H2 HT 0.417000 1.0080 0 26679 WAT 3731 TIP3 OH2 OT -0.834000 15.9994 0 26680 WAT 3731 TIP3 H1 HT 0.417000 1.0080 0 26681 WAT 3731 TIP3 H2 HT 0.417000 1.0080 0 26682 WAT 3732 TIP3 OH2 OT -0.834000 15.9994 0 26683 WAT 3732 TIP3 H1 HT 0.417000 1.0080 0 26684 WAT 3732 TIP3 H2 HT 0.417000 1.0080 0 26685 WAT 3733 TIP3 OH2 OT -0.834000 15.9994 0 26686 WAT 3733 TIP3 H1 HT 0.417000 1.0080 0 26687 WAT 3733 TIP3 H2 HT 0.417000 1.0080 0 26688 WAT 3734 TIP3 OH2 OT -0.834000 15.9994 0 26689 WAT 3734 TIP3 H1 HT 0.417000 1.0080 0 26690 WAT 3734 TIP3 H2 HT 0.417000 1.0080 0 26691 WAT 3735 TIP3 OH2 OT -0.834000 15.9994 0 26692 WAT 3735 TIP3 H1 HT 0.417000 1.0080 0 26693 WAT 3735 TIP3 H2 HT 0.417000 1.0080 0 26694 WAT 3736 TIP3 OH2 OT -0.834000 15.9994 0 26695 WAT 3736 TIP3 H1 HT 0.417000 1.0080 0 26696 WAT 3736 TIP3 H2 HT 0.417000 1.0080 0 26697 WAT 3737 TIP3 OH2 OT -0.834000 15.9994 0 26698 WAT 3737 TIP3 H1 HT 0.417000 1.0080 0 26699 WAT 3737 TIP3 H2 HT 0.417000 1.0080 0 26700 WAT 3738 TIP3 OH2 OT -0.834000 15.9994 0 26701 WAT 3738 TIP3 H1 HT 0.417000 1.0080 0 26702 WAT 3738 TIP3 H2 HT 0.417000 1.0080 0 26703 WAT 3739 TIP3 OH2 OT -0.834000 15.9994 0 26704 WAT 3739 TIP3 H1 HT 0.417000 1.0080 0 26705 WAT 3739 TIP3 H2 HT 0.417000 1.0080 0 26706 WAT 3740 TIP3 OH2 OT -0.834000 15.9994 0 26707 WAT 3740 TIP3 H1 HT 0.417000 1.0080 0 26708 WAT 3740 TIP3 H2 HT 0.417000 1.0080 0 26709 WAT 3741 TIP3 OH2 OT -0.834000 15.9994 0 26710 WAT 3741 TIP3 H1 HT 0.417000 1.0080 0 26711 WAT 3741 TIP3 H2 HT 0.417000 1.0080 0 26712 WAT 3742 TIP3 OH2 OT -0.834000 15.9994 0 26713 WAT 3742 TIP3 H1 HT 0.417000 1.0080 0 26714 WAT 3742 TIP3 H2 HT 0.417000 1.0080 0 26715 WAT 3743 TIP3 OH2 OT -0.834000 15.9994 0 26716 WAT 3743 TIP3 H1 HT 0.417000 1.0080 0 26717 WAT 3743 TIP3 H2 HT 0.417000 1.0080 0 26718 WAT 3744 TIP3 OH2 OT -0.834000 15.9994 0 26719 WAT 3744 TIP3 H1 HT 0.417000 1.0080 0 26720 WAT 3744 TIP3 H2 HT 0.417000 1.0080 0 26721 WAT 3745 TIP3 OH2 OT -0.834000 15.9994 0 26722 WAT 3745 TIP3 H1 HT 0.417000 1.0080 0 26723 WAT 3745 TIP3 H2 HT 0.417000 1.0080 0 26724 WAT 3746 TIP3 OH2 OT -0.834000 15.9994 0 26725 WAT 3746 TIP3 H1 HT 0.417000 1.0080 0 26726 WAT 3746 TIP3 H2 HT 0.417000 1.0080 0 26727 WAT 3747 TIP3 OH2 OT -0.834000 15.9994 0 26728 WAT 3747 TIP3 H1 HT 0.417000 1.0080 0 26729 WAT 3747 TIP3 H2 HT 0.417000 1.0080 0 26730 WAT 3748 TIP3 OH2 OT -0.834000 15.9994 0 26731 WAT 3748 TIP3 H1 HT 0.417000 1.0080 0 26732 WAT 3748 TIP3 H2 HT 0.417000 1.0080 0 26733 WAT 3749 TIP3 OH2 OT -0.834000 15.9994 0 26734 WAT 3749 TIP3 H1 HT 0.417000 1.0080 0 26735 WAT 3749 TIP3 H2 HT 0.417000 1.0080 0 26736 WAT 3750 TIP3 OH2 OT -0.834000 15.9994 0 26737 WAT 3750 TIP3 H1 HT 0.417000 1.0080 0 26738 WAT 3750 TIP3 H2 HT 0.417000 1.0080 0 26739 WAT 3751 TIP3 OH2 OT -0.834000 15.9994 0 26740 WAT 3751 TIP3 H1 HT 0.417000 1.0080 0 26741 WAT 3751 TIP3 H2 HT 0.417000 1.0080 0 26742 WAT 3752 TIP3 OH2 OT -0.834000 15.9994 0 26743 WAT 3752 TIP3 H1 HT 0.417000 1.0080 0 26744 WAT 3752 TIP3 H2 HT 0.417000 1.0080 0 26745 WAT 3753 TIP3 OH2 OT -0.834000 15.9994 0 26746 WAT 3753 TIP3 H1 HT 0.417000 1.0080 0 26747 WAT 3753 TIP3 H2 HT 0.417000 1.0080 0 26748 WAT 3754 TIP3 OH2 OT -0.834000 15.9994 0 26749 WAT 3754 TIP3 H1 HT 0.417000 1.0080 0 26750 WAT 3754 TIP3 H2 HT 0.417000 1.0080 0 26751 WAT 3755 TIP3 OH2 OT -0.834000 15.9994 0 26752 WAT 3755 TIP3 H1 HT 0.417000 1.0080 0 26753 WAT 3755 TIP3 H2 HT 0.417000 1.0080 0 26754 WAT 3756 TIP3 OH2 OT -0.834000 15.9994 0 26755 WAT 3756 TIP3 H1 HT 0.417000 1.0080 0 26756 WAT 3756 TIP3 H2 HT 0.417000 1.0080 0 26757 WAT 3757 TIP3 OH2 OT -0.834000 15.9994 0 26758 WAT 3757 TIP3 H1 HT 0.417000 1.0080 0 26759 WAT 3757 TIP3 H2 HT 0.417000 1.0080 0 26760 WAT 3758 TIP3 OH2 OT -0.834000 15.9994 0 26761 WAT 3758 TIP3 H1 HT 0.417000 1.0080 0 26762 WAT 3758 TIP3 H2 HT 0.417000 1.0080 0 26763 WAT 3759 TIP3 OH2 OT -0.834000 15.9994 0 26764 WAT 3759 TIP3 H1 HT 0.417000 1.0080 0 26765 WAT 3759 TIP3 H2 HT 0.417000 1.0080 0 26766 WAT 3760 TIP3 OH2 OT -0.834000 15.9994 0 26767 WAT 3760 TIP3 H1 HT 0.417000 1.0080 0 26768 WAT 3760 TIP3 H2 HT 0.417000 1.0080 0 26769 WAT 3761 TIP3 OH2 OT -0.834000 15.9994 0 26770 WAT 3761 TIP3 H1 HT 0.417000 1.0080 0 26771 WAT 3761 TIP3 H2 HT 0.417000 1.0080 0 26772 WAT 3762 TIP3 OH2 OT -0.834000 15.9994 0 26773 WAT 3762 TIP3 H1 HT 0.417000 1.0080 0 26774 WAT 3762 TIP3 H2 HT 0.417000 1.0080 0 26775 WAT 3763 TIP3 OH2 OT -0.834000 15.9994 0 26776 WAT 3763 TIP3 H1 HT 0.417000 1.0080 0 26777 WAT 3763 TIP3 H2 HT 0.417000 1.0080 0 26778 WAT 3764 TIP3 OH2 OT -0.834000 15.9994 0 26779 WAT 3764 TIP3 H1 HT 0.417000 1.0080 0 26780 WAT 3764 TIP3 H2 HT 0.417000 1.0080 0 26781 WAT 3765 TIP3 OH2 OT -0.834000 15.9994 0 26782 WAT 3765 TIP3 H1 HT 0.417000 1.0080 0 26783 WAT 3765 TIP3 H2 HT 0.417000 1.0080 0 26784 WAT 3766 TIP3 OH2 OT -0.834000 15.9994 0 26785 WAT 3766 TIP3 H1 HT 0.417000 1.0080 0 26786 WAT 3766 TIP3 H2 HT 0.417000 1.0080 0 26787 WAT 3767 TIP3 OH2 OT -0.834000 15.9994 0 26788 WAT 3767 TIP3 H1 HT 0.417000 1.0080 0 26789 WAT 3767 TIP3 H2 HT 0.417000 1.0080 0 26790 WAT 3768 TIP3 OH2 OT -0.834000 15.9994 0 26791 WAT 3768 TIP3 H1 HT 0.417000 1.0080 0 26792 WAT 3768 TIP3 H2 HT 0.417000 1.0080 0 26793 WAT 3769 TIP3 OH2 OT -0.834000 15.9994 0 26794 WAT 3769 TIP3 H1 HT 0.417000 1.0080 0 26795 WAT 3769 TIP3 H2 HT 0.417000 1.0080 0 26796 WAT 3770 TIP3 OH2 OT -0.834000 15.9994 0 26797 WAT 3770 TIP3 H1 HT 0.417000 1.0080 0 26798 WAT 3770 TIP3 H2 HT 0.417000 1.0080 0 26799 WAT 3771 TIP3 OH2 OT -0.834000 15.9994 0 26800 WAT 3771 TIP3 H1 HT 0.417000 1.0080 0 26801 WAT 3771 TIP3 H2 HT 0.417000 1.0080 0 26802 WAT 3772 TIP3 OH2 OT -0.834000 15.9994 0 26803 WAT 3772 TIP3 H1 HT 0.417000 1.0080 0 26804 WAT 3772 TIP3 H2 HT 0.417000 1.0080 0 26805 WAT 3773 TIP3 OH2 OT -0.834000 15.9994 0 26806 WAT 3773 TIP3 H1 HT 0.417000 1.0080 0 26807 WAT 3773 TIP3 H2 HT 0.417000 1.0080 0 26808 WAT 3774 TIP3 OH2 OT -0.834000 15.9994 0 26809 WAT 3774 TIP3 H1 HT 0.417000 1.0080 0 26810 WAT 3774 TIP3 H2 HT 0.417000 1.0080 0 26811 WAT 3775 TIP3 OH2 OT -0.834000 15.9994 0 26812 WAT 3775 TIP3 H1 HT 0.417000 1.0080 0 26813 WAT 3775 TIP3 H2 HT 0.417000 1.0080 0 26814 WAT 3776 TIP3 OH2 OT -0.834000 15.9994 0 26815 WAT 3776 TIP3 H1 HT 0.417000 1.0080 0 26816 WAT 3776 TIP3 H2 HT 0.417000 1.0080 0 26817 WAT 3777 TIP3 OH2 OT -0.834000 15.9994 0 26818 WAT 3777 TIP3 H1 HT 0.417000 1.0080 0 26819 WAT 3777 TIP3 H2 HT 0.417000 1.0080 0 26820 WAT 3778 TIP3 OH2 OT -0.834000 15.9994 0 26821 WAT 3778 TIP3 H1 HT 0.417000 1.0080 0 26822 WAT 3778 TIP3 H2 HT 0.417000 1.0080 0 26823 WAT 3779 TIP3 OH2 OT -0.834000 15.9994 0 26824 WAT 3779 TIP3 H1 HT 0.417000 1.0080 0 26825 WAT 3779 TIP3 H2 HT 0.417000 1.0080 0 26826 WAT 3780 TIP3 OH2 OT -0.834000 15.9994 0 26827 WAT 3780 TIP3 H1 HT 0.417000 1.0080 0 26828 WAT 3780 TIP3 H2 HT 0.417000 1.0080 0 26829 WAT 3781 TIP3 OH2 OT -0.834000 15.9994 0 26830 WAT 3781 TIP3 H1 HT 0.417000 1.0080 0 26831 WAT 3781 TIP3 H2 HT 0.417000 1.0080 0 26832 WAT 3782 TIP3 OH2 OT -0.834000 15.9994 0 26833 WAT 3782 TIP3 H1 HT 0.417000 1.0080 0 26834 WAT 3782 TIP3 H2 HT 0.417000 1.0080 0 26835 WAT 3783 TIP3 OH2 OT -0.834000 15.9994 0 26836 WAT 3783 TIP3 H1 HT 0.417000 1.0080 0 26837 WAT 3783 TIP3 H2 HT 0.417000 1.0080 0 26838 WAT 3784 TIP3 OH2 OT -0.834000 15.9994 0 26839 WAT 3784 TIP3 H1 HT 0.417000 1.0080 0 26840 WAT 3784 TIP3 H2 HT 0.417000 1.0080 0 26841 WAT 3785 TIP3 OH2 OT -0.834000 15.9994 0 26842 WAT 3785 TIP3 H1 HT 0.417000 1.0080 0 26843 WAT 3785 TIP3 H2 HT 0.417000 1.0080 0 26844 WAT 3786 TIP3 OH2 OT -0.834000 15.9994 0 26845 WAT 3786 TIP3 H1 HT 0.417000 1.0080 0 26846 WAT 3786 TIP3 H2 HT 0.417000 1.0080 0 26847 WAT 3787 TIP3 OH2 OT -0.834000 15.9994 0 26848 WAT 3787 TIP3 H1 HT 0.417000 1.0080 0 26849 WAT 3787 TIP3 H2 HT 0.417000 1.0080 0 26850 WAT 3788 TIP3 OH2 OT -0.834000 15.9994 0 26851 WAT 3788 TIP3 H1 HT 0.417000 1.0080 0 26852 WAT 3788 TIP3 H2 HT 0.417000 1.0080 0 26853 WAT 3789 TIP3 OH2 OT -0.834000 15.9994 0 26854 WAT 3789 TIP3 H1 HT 0.417000 1.0080 0 26855 WAT 3789 TIP3 H2 HT 0.417000 1.0080 0 26856 WAT 3790 TIP3 OH2 OT -0.834000 15.9994 0 26857 WAT 3790 TIP3 H1 HT 0.417000 1.0080 0 26858 WAT 3790 TIP3 H2 HT 0.417000 1.0080 0 26859 WAT 3791 TIP3 OH2 OT -0.834000 15.9994 0 26860 WAT 3791 TIP3 H1 HT 0.417000 1.0080 0 26861 WAT 3791 TIP3 H2 HT 0.417000 1.0080 0 26862 WAT 3792 TIP3 OH2 OT -0.834000 15.9994 0 26863 WAT 3792 TIP3 H1 HT 0.417000 1.0080 0 26864 WAT 3792 TIP3 H2 HT 0.417000 1.0080 0 26865 WAT 3793 TIP3 OH2 OT -0.834000 15.9994 0 26866 WAT 3793 TIP3 H1 HT 0.417000 1.0080 0 26867 WAT 3793 TIP3 H2 HT 0.417000 1.0080 0 26868 WAT 3794 TIP3 OH2 OT -0.834000 15.9994 0 26869 WAT 3794 TIP3 H1 HT 0.417000 1.0080 0 26870 WAT 3794 TIP3 H2 HT 0.417000 1.0080 0 26871 WAT 3795 TIP3 OH2 OT -0.834000 15.9994 0 26872 WAT 3795 TIP3 H1 HT 0.417000 1.0080 0 26873 WAT 3795 TIP3 H2 HT 0.417000 1.0080 0 26874 WAT 3796 TIP3 OH2 OT -0.834000 15.9994 0 26875 WAT 3796 TIP3 H1 HT 0.417000 1.0080 0 26876 WAT 3796 TIP3 H2 HT 0.417000 1.0080 0 26877 WAT 3797 TIP3 OH2 OT -0.834000 15.9994 0 26878 WAT 3797 TIP3 H1 HT 0.417000 1.0080 0 26879 WAT 3797 TIP3 H2 HT 0.417000 1.0080 0 26880 WAT 3798 TIP3 OH2 OT -0.834000 15.9994 0 26881 WAT 3798 TIP3 H1 HT 0.417000 1.0080 0 26882 WAT 3798 TIP3 H2 HT 0.417000 1.0080 0 26883 WAT 3799 TIP3 OH2 OT -0.834000 15.9994 0 26884 WAT 3799 TIP3 H1 HT 0.417000 1.0080 0 26885 WAT 3799 TIP3 H2 HT 0.417000 1.0080 0 26886 WAT 3800 TIP3 OH2 OT -0.834000 15.9994 0 26887 WAT 3800 TIP3 H1 HT 0.417000 1.0080 0 26888 WAT 3800 TIP3 H2 HT 0.417000 1.0080 0 26889 WAT 3801 TIP3 OH2 OT -0.834000 15.9994 0 26890 WAT 3801 TIP3 H1 HT 0.417000 1.0080 0 26891 WAT 3801 TIP3 H2 HT 0.417000 1.0080 0 26892 WAT 3802 TIP3 OH2 OT -0.834000 15.9994 0 26893 WAT 3802 TIP3 H1 HT 0.417000 1.0080 0 26894 WAT 3802 TIP3 H2 HT 0.417000 1.0080 0 26895 WAT 3803 TIP3 OH2 OT -0.834000 15.9994 0 26896 WAT 3803 TIP3 H1 HT 0.417000 1.0080 0 26897 WAT 3803 TIP3 H2 HT 0.417000 1.0080 0 26898 WAT 3804 TIP3 OH2 OT -0.834000 15.9994 0 26899 WAT 3804 TIP3 H1 HT 0.417000 1.0080 0 26900 WAT 3804 TIP3 H2 HT 0.417000 1.0080 0 26901 WAT 3805 TIP3 OH2 OT -0.834000 15.9994 0 26902 WAT 3805 TIP3 H1 HT 0.417000 1.0080 0 26903 WAT 3805 TIP3 H2 HT 0.417000 1.0080 0 26904 WAT 3806 TIP3 OH2 OT -0.834000 15.9994 0 26905 WAT 3806 TIP3 H1 HT 0.417000 1.0080 0 26906 WAT 3806 TIP3 H2 HT 0.417000 1.0080 0 26907 WAT 3807 TIP3 OH2 OT -0.834000 15.9994 0 26908 WAT 3807 TIP3 H1 HT 0.417000 1.0080 0 26909 WAT 3807 TIP3 H2 HT 0.417000 1.0080 0 26910 WAT 3808 TIP3 OH2 OT -0.834000 15.9994 0 26911 WAT 3808 TIP3 H1 HT 0.417000 1.0080 0 26912 WAT 3808 TIP3 H2 HT 0.417000 1.0080 0 26913 WAT 3809 TIP3 OH2 OT -0.834000 15.9994 0 26914 WAT 3809 TIP3 H1 HT 0.417000 1.0080 0 26915 WAT 3809 TIP3 H2 HT 0.417000 1.0080 0 26916 WAT 3810 TIP3 OH2 OT -0.834000 15.9994 0 26917 WAT 3810 TIP3 H1 HT 0.417000 1.0080 0 26918 WAT 3810 TIP3 H2 HT 0.417000 1.0080 0 26919 WAT 3811 TIP3 OH2 OT -0.834000 15.9994 0 26920 WAT 3811 TIP3 H1 HT 0.417000 1.0080 0 26921 WAT 3811 TIP3 H2 HT 0.417000 1.0080 0 26922 WAT 3812 TIP3 OH2 OT -0.834000 15.9994 0 26923 WAT 3812 TIP3 H1 HT 0.417000 1.0080 0 26924 WAT 3812 TIP3 H2 HT 0.417000 1.0080 0 26925 WAT 3813 TIP3 OH2 OT -0.834000 15.9994 0 26926 WAT 3813 TIP3 H1 HT 0.417000 1.0080 0 26927 WAT 3813 TIP3 H2 HT 0.417000 1.0080 0 26928 WAT 3814 TIP3 OH2 OT -0.834000 15.9994 0 26929 WAT 3814 TIP3 H1 HT 0.417000 1.0080 0 26930 WAT 3814 TIP3 H2 HT 0.417000 1.0080 0 26931 WAT 3815 TIP3 OH2 OT -0.834000 15.9994 0 26932 WAT 3815 TIP3 H1 HT 0.417000 1.0080 0 26933 WAT 3815 TIP3 H2 HT 0.417000 1.0080 0 26934 WAT 3816 TIP3 OH2 OT -0.834000 15.9994 0 26935 WAT 3816 TIP3 H1 HT 0.417000 1.0080 0 26936 WAT 3816 TIP3 H2 HT 0.417000 1.0080 0 26937 WAT 3817 TIP3 OH2 OT -0.834000 15.9994 0 26938 WAT 3817 TIP3 H1 HT 0.417000 1.0080 0 26939 WAT 3817 TIP3 H2 HT 0.417000 1.0080 0 26940 WAT 3818 TIP3 OH2 OT -0.834000 15.9994 0 26941 WAT 3818 TIP3 H1 HT 0.417000 1.0080 0 26942 WAT 3818 TIP3 H2 HT 0.417000 1.0080 0 26943 WAT 3819 TIP3 OH2 OT -0.834000 15.9994 0 26944 WAT 3819 TIP3 H1 HT 0.417000 1.0080 0 26945 WAT 3819 TIP3 H2 HT 0.417000 1.0080 0 26946 WAT 3820 TIP3 OH2 OT -0.834000 15.9994 0 26947 WAT 3820 TIP3 H1 HT 0.417000 1.0080 0 26948 WAT 3820 TIP3 H2 HT 0.417000 1.0080 0 26949 WAT 3821 TIP3 OH2 OT -0.834000 15.9994 0 26950 WAT 3821 TIP3 H1 HT 0.417000 1.0080 0 26951 WAT 3821 TIP3 H2 HT 0.417000 1.0080 0 26952 WAT 3822 TIP3 OH2 OT -0.834000 15.9994 0 26953 WAT 3822 TIP3 H1 HT 0.417000 1.0080 0 26954 WAT 3822 TIP3 H2 HT 0.417000 1.0080 0 26955 WAT 3823 TIP3 OH2 OT -0.834000 15.9994 0 26956 WAT 3823 TIP3 H1 HT 0.417000 1.0080 0 26957 WAT 3823 TIP3 H2 HT 0.417000 1.0080 0 26958 WAT 3824 TIP3 OH2 OT -0.834000 15.9994 0 26959 WAT 3824 TIP3 H1 HT 0.417000 1.0080 0 26960 WAT 3824 TIP3 H2 HT 0.417000 1.0080 0 26961 WAT 3825 TIP3 OH2 OT -0.834000 15.9994 0 26962 WAT 3825 TIP3 H1 HT 0.417000 1.0080 0 26963 WAT 3825 TIP3 H2 HT 0.417000 1.0080 0 26964 WAT 3826 TIP3 OH2 OT -0.834000 15.9994 0 26965 WAT 3826 TIP3 H1 HT 0.417000 1.0080 0 26966 WAT 3826 TIP3 H2 HT 0.417000 1.0080 0 26967 WAT 3827 TIP3 OH2 OT -0.834000 15.9994 0 26968 WAT 3827 TIP3 H1 HT 0.417000 1.0080 0 26969 WAT 3827 TIP3 H2 HT 0.417000 1.0080 0 26970 WAT 3828 TIP3 OH2 OT -0.834000 15.9994 0 26971 WAT 3828 TIP3 H1 HT 0.417000 1.0080 0 26972 WAT 3828 TIP3 H2 HT 0.417000 1.0080 0 26973 WAT 3829 TIP3 OH2 OT -0.834000 15.9994 0 26974 WAT 3829 TIP3 H1 HT 0.417000 1.0080 0 26975 WAT 3829 TIP3 H2 HT 0.417000 1.0080 0 26976 WAT 3830 TIP3 OH2 OT -0.834000 15.9994 0 26977 WAT 3830 TIP3 H1 HT 0.417000 1.0080 0 26978 WAT 3830 TIP3 H2 HT 0.417000 1.0080 0 26979 WAT 3831 TIP3 OH2 OT -0.834000 15.9994 0 26980 WAT 3831 TIP3 H1 HT 0.417000 1.0080 0 26981 WAT 3831 TIP3 H2 HT 0.417000 1.0080 0 26982 WAT 3832 TIP3 OH2 OT -0.834000 15.9994 0 26983 WAT 3832 TIP3 H1 HT 0.417000 1.0080 0 26984 WAT 3832 TIP3 H2 HT 0.417000 1.0080 0 26985 WAT 3833 TIP3 OH2 OT -0.834000 15.9994 0 26986 WAT 3833 TIP3 H1 HT 0.417000 1.0080 0 26987 WAT 3833 TIP3 H2 HT 0.417000 1.0080 0 26988 WAT 3834 TIP3 OH2 OT -0.834000 15.9994 0 26989 WAT 3834 TIP3 H1 HT 0.417000 1.0080 0 26990 WAT 3834 TIP3 H2 HT 0.417000 1.0080 0 26991 WAT 3835 TIP3 OH2 OT -0.834000 15.9994 0 26992 WAT 3835 TIP3 H1 HT 0.417000 1.0080 0 26993 WAT 3835 TIP3 H2 HT 0.417000 1.0080 0 26994 WAT 3836 TIP3 OH2 OT -0.834000 15.9994 0 26995 WAT 3836 TIP3 H1 HT 0.417000 1.0080 0 26996 WAT 3836 TIP3 H2 HT 0.417000 1.0080 0 26997 WAT 3837 TIP3 OH2 OT -0.834000 15.9994 0 26998 WAT 3837 TIP3 H1 HT 0.417000 1.0080 0 26999 WAT 3837 TIP3 H2 HT 0.417000 1.0080 0 27000 WAT 3838 TIP3 OH2 OT -0.834000 15.9994 0 27001 WAT 3838 TIP3 H1 HT 0.417000 1.0080 0 27002 WAT 3838 TIP3 H2 HT 0.417000 1.0080 0 27003 WAT 3839 TIP3 OH2 OT -0.834000 15.9994 0 27004 WAT 3839 TIP3 H1 HT 0.417000 1.0080 0 27005 WAT 3839 TIP3 H2 HT 0.417000 1.0080 0 27006 WAT 3840 TIP3 OH2 OT -0.834000 15.9994 0 27007 WAT 3840 TIP3 H1 HT 0.417000 1.0080 0 27008 WAT 3840 TIP3 H2 HT 0.417000 1.0080 0 27009 WAT 3841 TIP3 OH2 OT -0.834000 15.9994 0 27010 WAT 3841 TIP3 H1 HT 0.417000 1.0080 0 27011 WAT 3841 TIP3 H2 HT 0.417000 1.0080 0 27012 WAT 3842 TIP3 OH2 OT -0.834000 15.9994 0 27013 WAT 3842 TIP3 H1 HT 0.417000 1.0080 0 27014 WAT 3842 TIP3 H2 HT 0.417000 1.0080 0 27015 WAT 3843 TIP3 OH2 OT -0.834000 15.9994 0 27016 WAT 3843 TIP3 H1 HT 0.417000 1.0080 0 27017 WAT 3843 TIP3 H2 HT 0.417000 1.0080 0 27018 WAT 3844 TIP3 OH2 OT -0.834000 15.9994 0 27019 WAT 3844 TIP3 H1 HT 0.417000 1.0080 0 27020 WAT 3844 TIP3 H2 HT 0.417000 1.0080 0 27021 WAT 3845 TIP3 OH2 OT -0.834000 15.9994 0 27022 WAT 3845 TIP3 H1 HT 0.417000 1.0080 0 27023 WAT 3845 TIP3 H2 HT 0.417000 1.0080 0 27024 WAT 3846 TIP3 OH2 OT -0.834000 15.9994 0 27025 WAT 3846 TIP3 H1 HT 0.417000 1.0080 0 27026 WAT 3846 TIP3 H2 HT 0.417000 1.0080 0 27027 WAT 3847 TIP3 OH2 OT -0.834000 15.9994 0 27028 WAT 3847 TIP3 H1 HT 0.417000 1.0080 0 27029 WAT 3847 TIP3 H2 HT 0.417000 1.0080 0 27030 WAT 3848 TIP3 OH2 OT -0.834000 15.9994 0 27031 WAT 3848 TIP3 H1 HT 0.417000 1.0080 0 27032 WAT 3848 TIP3 H2 HT 0.417000 1.0080 0 27033 WAT 3849 TIP3 OH2 OT -0.834000 15.9994 0 27034 WAT 3849 TIP3 H1 HT 0.417000 1.0080 0 27035 WAT 3849 TIP3 H2 HT 0.417000 1.0080 0 27036 WAT 3850 TIP3 OH2 OT -0.834000 15.9994 0 27037 WAT 3850 TIP3 H1 HT 0.417000 1.0080 0 27038 WAT 3850 TIP3 H2 HT 0.417000 1.0080 0 27039 WAT 3851 TIP3 OH2 OT -0.834000 15.9994 0 27040 WAT 3851 TIP3 H1 HT 0.417000 1.0080 0 27041 WAT 3851 TIP3 H2 HT 0.417000 1.0080 0 27042 WAT 3852 TIP3 OH2 OT -0.834000 15.9994 0 27043 WAT 3852 TIP3 H1 HT 0.417000 1.0080 0 27044 WAT 3852 TIP3 H2 HT 0.417000 1.0080 0 27045 WAT 3853 TIP3 OH2 OT -0.834000 15.9994 0 27046 WAT 3853 TIP3 H1 HT 0.417000 1.0080 0 27047 WAT 3853 TIP3 H2 HT 0.417000 1.0080 0 27048 WAT 3854 TIP3 OH2 OT -0.834000 15.9994 0 27049 WAT 3854 TIP3 H1 HT 0.417000 1.0080 0 27050 WAT 3854 TIP3 H2 HT 0.417000 1.0080 0 27051 WAT 3855 TIP3 OH2 OT -0.834000 15.9994 0 27052 WAT 3855 TIP3 H1 HT 0.417000 1.0080 0 27053 WAT 3855 TIP3 H2 HT 0.417000 1.0080 0 27054 WAT 3856 TIP3 OH2 OT -0.834000 15.9994 0 27055 WAT 3856 TIP3 H1 HT 0.417000 1.0080 0 27056 WAT 3856 TIP3 H2 HT 0.417000 1.0080 0 27057 WAT 3857 TIP3 OH2 OT -0.834000 15.9994 0 27058 WAT 3857 TIP3 H1 HT 0.417000 1.0080 0 27059 WAT 3857 TIP3 H2 HT 0.417000 1.0080 0 27060 WAT 3858 TIP3 OH2 OT -0.834000 15.9994 0 27061 WAT 3858 TIP3 H1 HT 0.417000 1.0080 0 27062 WAT 3858 TIP3 H2 HT 0.417000 1.0080 0 27063 WAT 3859 TIP3 OH2 OT -0.834000 15.9994 0 27064 WAT 3859 TIP3 H1 HT 0.417000 1.0080 0 27065 WAT 3859 TIP3 H2 HT 0.417000 1.0080 0 27066 WAT 3860 TIP3 OH2 OT -0.834000 15.9994 0 27067 WAT 3860 TIP3 H1 HT 0.417000 1.0080 0 27068 WAT 3860 TIP3 H2 HT 0.417000 1.0080 0 27069 WAT 3861 TIP3 OH2 OT -0.834000 15.9994 0 27070 WAT 3861 TIP3 H1 HT 0.417000 1.0080 0 27071 WAT 3861 TIP3 H2 HT 0.417000 1.0080 0 27072 WAT 3862 TIP3 OH2 OT -0.834000 15.9994 0 27073 WAT 3862 TIP3 H1 HT 0.417000 1.0080 0 27074 WAT 3862 TIP3 H2 HT 0.417000 1.0080 0 27075 WAT 3863 TIP3 OH2 OT -0.834000 15.9994 0 27076 WAT 3863 TIP3 H1 HT 0.417000 1.0080 0 27077 WAT 3863 TIP3 H2 HT 0.417000 1.0080 0 27078 WAT 3864 TIP3 OH2 OT -0.834000 15.9994 0 27079 WAT 3864 TIP3 H1 HT 0.417000 1.0080 0 27080 WAT 3864 TIP3 H2 HT 0.417000 1.0080 0 27081 WAT 3865 TIP3 OH2 OT -0.834000 15.9994 0 27082 WAT 3865 TIP3 H1 HT 0.417000 1.0080 0 27083 WAT 3865 TIP3 H2 HT 0.417000 1.0080 0 27084 WAT 3866 TIP3 OH2 OT -0.834000 15.9994 0 27085 WAT 3866 TIP3 H1 HT 0.417000 1.0080 0 27086 WAT 3866 TIP3 H2 HT 0.417000 1.0080 0 27087 WAT 3867 TIP3 OH2 OT -0.834000 15.9994 0 27088 WAT 3867 TIP3 H1 HT 0.417000 1.0080 0 27089 WAT 3867 TIP3 H2 HT 0.417000 1.0080 0 27090 WAT 3868 TIP3 OH2 OT -0.834000 15.9994 0 27091 WAT 3868 TIP3 H1 HT 0.417000 1.0080 0 27092 WAT 3868 TIP3 H2 HT 0.417000 1.0080 0 27093 WAT 3869 TIP3 OH2 OT -0.834000 15.9994 0 27094 WAT 3869 TIP3 H1 HT 0.417000 1.0080 0 27095 WAT 3869 TIP3 H2 HT 0.417000 1.0080 0 27096 WAT 3870 TIP3 OH2 OT -0.834000 15.9994 0 27097 WAT 3870 TIP3 H1 HT 0.417000 1.0080 0 27098 WAT 3870 TIP3 H2 HT 0.417000 1.0080 0 27099 WAT 3871 TIP3 OH2 OT -0.834000 15.9994 0 27100 WAT 3871 TIP3 H1 HT 0.417000 1.0080 0 27101 WAT 3871 TIP3 H2 HT 0.417000 1.0080 0 27102 WAT 3872 TIP3 OH2 OT -0.834000 15.9994 0 27103 WAT 3872 TIP3 H1 HT 0.417000 1.0080 0 27104 WAT 3872 TIP3 H2 HT 0.417000 1.0080 0 27105 WAT 3873 TIP3 OH2 OT -0.834000 15.9994 0 27106 WAT 3873 TIP3 H1 HT 0.417000 1.0080 0 27107 WAT 3873 TIP3 H2 HT 0.417000 1.0080 0 27108 WAT 3874 TIP3 OH2 OT -0.834000 15.9994 0 27109 WAT 3874 TIP3 H1 HT 0.417000 1.0080 0 27110 WAT 3874 TIP3 H2 HT 0.417000 1.0080 0 27111 WAT 3875 TIP3 OH2 OT -0.834000 15.9994 0 27112 WAT 3875 TIP3 H1 HT 0.417000 1.0080 0 27113 WAT 3875 TIP3 H2 HT 0.417000 1.0080 0 27114 WAT 3876 TIP3 OH2 OT -0.834000 15.9994 0 27115 WAT 3876 TIP3 H1 HT 0.417000 1.0080 0 27116 WAT 3876 TIP3 H2 HT 0.417000 1.0080 0 27117 WAT 3877 TIP3 OH2 OT -0.834000 15.9994 0 27118 WAT 3877 TIP3 H1 HT 0.417000 1.0080 0 27119 WAT 3877 TIP3 H2 HT 0.417000 1.0080 0 27120 WAT 3878 TIP3 OH2 OT -0.834000 15.9994 0 27121 WAT 3878 TIP3 H1 HT 0.417000 1.0080 0 27122 WAT 3878 TIP3 H2 HT 0.417000 1.0080 0 27123 WAT 3879 TIP3 OH2 OT -0.834000 15.9994 0 27124 WAT 3879 TIP3 H1 HT 0.417000 1.0080 0 27125 WAT 3879 TIP3 H2 HT 0.417000 1.0080 0 27126 WAT 3880 TIP3 OH2 OT -0.834000 15.9994 0 27127 WAT 3880 TIP3 H1 HT 0.417000 1.0080 0 27128 WAT 3880 TIP3 H2 HT 0.417000 1.0080 0 27129 WAT 3881 TIP3 OH2 OT -0.834000 15.9994 0 27130 WAT 3881 TIP3 H1 HT 0.417000 1.0080 0 27131 WAT 3881 TIP3 H2 HT 0.417000 1.0080 0 27132 WAT 3882 TIP3 OH2 OT -0.834000 15.9994 0 27133 WAT 3882 TIP3 H1 HT 0.417000 1.0080 0 27134 WAT 3882 TIP3 H2 HT 0.417000 1.0080 0 27135 WAT 3883 TIP3 OH2 OT -0.834000 15.9994 0 27136 WAT 3883 TIP3 H1 HT 0.417000 1.0080 0 27137 WAT 3883 TIP3 H2 HT 0.417000 1.0080 0 27138 WAT 3884 TIP3 OH2 OT -0.834000 15.9994 0 27139 WAT 3884 TIP3 H1 HT 0.417000 1.0080 0 27140 WAT 3884 TIP3 H2 HT 0.417000 1.0080 0 27141 WAT 3885 TIP3 OH2 OT -0.834000 15.9994 0 27142 WAT 3885 TIP3 H1 HT 0.417000 1.0080 0 27143 WAT 3885 TIP3 H2 HT 0.417000 1.0080 0 27144 WAT 3886 TIP3 OH2 OT -0.834000 15.9994 0 27145 WAT 3886 TIP3 H1 HT 0.417000 1.0080 0 27146 WAT 3886 TIP3 H2 HT 0.417000 1.0080 0 27147 WAT 3887 TIP3 OH2 OT -0.834000 15.9994 0 27148 WAT 3887 TIP3 H1 HT 0.417000 1.0080 0 27149 WAT 3887 TIP3 H2 HT 0.417000 1.0080 0 27150 WAT 3888 TIP3 OH2 OT -0.834000 15.9994 0 27151 WAT 3888 TIP3 H1 HT 0.417000 1.0080 0 27152 WAT 3888 TIP3 H2 HT 0.417000 1.0080 0 27153 WAT 3889 TIP3 OH2 OT -0.834000 15.9994 0 27154 WAT 3889 TIP3 H1 HT 0.417000 1.0080 0 27155 WAT 3889 TIP3 H2 HT 0.417000 1.0080 0 27156 WAT 3890 TIP3 OH2 OT -0.834000 15.9994 0 27157 WAT 3890 TIP3 H1 HT 0.417000 1.0080 0 27158 WAT 3890 TIP3 H2 HT 0.417000 1.0080 0 27159 WAT 3891 TIP3 OH2 OT -0.834000 15.9994 0 27160 WAT 3891 TIP3 H1 HT 0.417000 1.0080 0 27161 WAT 3891 TIP3 H2 HT 0.417000 1.0080 0 27162 WAT 3892 TIP3 OH2 OT -0.834000 15.9994 0 27163 WAT 3892 TIP3 H1 HT 0.417000 1.0080 0 27164 WAT 3892 TIP3 H2 HT 0.417000 1.0080 0 27165 WAT 3893 TIP3 OH2 OT -0.834000 15.9994 0 27166 WAT 3893 TIP3 H1 HT 0.417000 1.0080 0 27167 WAT 3893 TIP3 H2 HT 0.417000 1.0080 0 27168 WAT 3894 TIP3 OH2 OT -0.834000 15.9994 0 27169 WAT 3894 TIP3 H1 HT 0.417000 1.0080 0 27170 WAT 3894 TIP3 H2 HT 0.417000 1.0080 0 27171 WAT 3895 TIP3 OH2 OT -0.834000 15.9994 0 27172 WAT 3895 TIP3 H1 HT 0.417000 1.0080 0 27173 WAT 3895 TIP3 H2 HT 0.417000 1.0080 0 27174 WAT 3896 TIP3 OH2 OT -0.834000 15.9994 0 27175 WAT 3896 TIP3 H1 HT 0.417000 1.0080 0 27176 WAT 3896 TIP3 H2 HT 0.417000 1.0080 0 27177 WAT 3897 TIP3 OH2 OT -0.834000 15.9994 0 27178 WAT 3897 TIP3 H1 HT 0.417000 1.0080 0 27179 WAT 3897 TIP3 H2 HT 0.417000 1.0080 0 27180 WAT 3898 TIP3 OH2 OT -0.834000 15.9994 0 27181 WAT 3898 TIP3 H1 HT 0.417000 1.0080 0 27182 WAT 3898 TIP3 H2 HT 0.417000 1.0080 0 27183 WAT 3899 TIP3 OH2 OT -0.834000 15.9994 0 27184 WAT 3899 TIP3 H1 HT 0.417000 1.0080 0 27185 WAT 3899 TIP3 H2 HT 0.417000 1.0080 0 27186 WAT 3900 TIP3 OH2 OT -0.834000 15.9994 0 27187 WAT 3900 TIP3 H1 HT 0.417000 1.0080 0 27188 WAT 3900 TIP3 H2 HT 0.417000 1.0080 0 27189 WAT 3901 TIP3 OH2 OT -0.834000 15.9994 0 27190 WAT 3901 TIP3 H1 HT 0.417000 1.0080 0 27191 WAT 3901 TIP3 H2 HT 0.417000 1.0080 0 27192 WAT 3902 TIP3 OH2 OT -0.834000 15.9994 0 27193 WAT 3902 TIP3 H1 HT 0.417000 1.0080 0 27194 WAT 3902 TIP3 H2 HT 0.417000 1.0080 0 27195 WAT 3903 TIP3 OH2 OT -0.834000 15.9994 0 27196 WAT 3903 TIP3 H1 HT 0.417000 1.0080 0 27197 WAT 3903 TIP3 H2 HT 0.417000 1.0080 0 27198 WAT 3904 TIP3 OH2 OT -0.834000 15.9994 0 27199 WAT 3904 TIP3 H1 HT 0.417000 1.0080 0 27200 WAT 3904 TIP3 H2 HT 0.417000 1.0080 0 27201 WAT 3905 TIP3 OH2 OT -0.834000 15.9994 0 27202 WAT 3905 TIP3 H1 HT 0.417000 1.0080 0 27203 WAT 3905 TIP3 H2 HT 0.417000 1.0080 0 27204 WAT 3906 TIP3 OH2 OT -0.834000 15.9994 0 27205 WAT 3906 TIP3 H1 HT 0.417000 1.0080 0 27206 WAT 3906 TIP3 H2 HT 0.417000 1.0080 0 27207 WAT 3907 TIP3 OH2 OT -0.834000 15.9994 0 27208 WAT 3907 TIP3 H1 HT 0.417000 1.0080 0 27209 WAT 3907 TIP3 H2 HT 0.417000 1.0080 0 27210 WAT 3908 TIP3 OH2 OT -0.834000 15.9994 0 27211 WAT 3908 TIP3 H1 HT 0.417000 1.0080 0 27212 WAT 3908 TIP3 H2 HT 0.417000 1.0080 0 27213 WAT 3909 TIP3 OH2 OT -0.834000 15.9994 0 27214 WAT 3909 TIP3 H1 HT 0.417000 1.0080 0 27215 WAT 3909 TIP3 H2 HT 0.417000 1.0080 0 27216 WAT 3910 TIP3 OH2 OT -0.834000 15.9994 0 27217 WAT 3910 TIP3 H1 HT 0.417000 1.0080 0 27218 WAT 3910 TIP3 H2 HT 0.417000 1.0080 0 27219 WAT 3911 TIP3 OH2 OT -0.834000 15.9994 0 27220 WAT 3911 TIP3 H1 HT 0.417000 1.0080 0 27221 WAT 3911 TIP3 H2 HT 0.417000 1.0080 0 27222 WAT 3912 TIP3 OH2 OT -0.834000 15.9994 0 27223 WAT 3912 TIP3 H1 HT 0.417000 1.0080 0 27224 WAT 3912 TIP3 H2 HT 0.417000 1.0080 0 27225 WAT 3913 TIP3 OH2 OT -0.834000 15.9994 0 27226 WAT 3913 TIP3 H1 HT 0.417000 1.0080 0 27227 WAT 3913 TIP3 H2 HT 0.417000 1.0080 0 27228 WAT 3914 TIP3 OH2 OT -0.834000 15.9994 0 27229 WAT 3914 TIP3 H1 HT 0.417000 1.0080 0 27230 WAT 3914 TIP3 H2 HT 0.417000 1.0080 0 27231 WAT 3915 TIP3 OH2 OT -0.834000 15.9994 0 27232 WAT 3915 TIP3 H1 HT 0.417000 1.0080 0 27233 WAT 3915 TIP3 H2 HT 0.417000 1.0080 0 27234 WAT 3916 TIP3 OH2 OT -0.834000 15.9994 0 27235 WAT 3916 TIP3 H1 HT 0.417000 1.0080 0 27236 WAT 3916 TIP3 H2 HT 0.417000 1.0080 0 27237 WAT 3917 TIP3 OH2 OT -0.834000 15.9994 0 27238 WAT 3917 TIP3 H1 HT 0.417000 1.0080 0 27239 WAT 3917 TIP3 H2 HT 0.417000 1.0080 0 27240 WAT 3918 TIP3 OH2 OT -0.834000 15.9994 0 27241 WAT 3918 TIP3 H1 HT 0.417000 1.0080 0 27242 WAT 3918 TIP3 H2 HT 0.417000 1.0080 0 27243 WAT 3919 TIP3 OH2 OT -0.834000 15.9994 0 27244 WAT 3919 TIP3 H1 HT 0.417000 1.0080 0 27245 WAT 3919 TIP3 H2 HT 0.417000 1.0080 0 27246 WAT 3920 TIP3 OH2 OT -0.834000 15.9994 0 27247 WAT 3920 TIP3 H1 HT 0.417000 1.0080 0 27248 WAT 3920 TIP3 H2 HT 0.417000 1.0080 0 27249 WAT 3921 TIP3 OH2 OT -0.834000 15.9994 0 27250 WAT 3921 TIP3 H1 HT 0.417000 1.0080 0 27251 WAT 3921 TIP3 H2 HT 0.417000 1.0080 0 27252 WAT 3922 TIP3 OH2 OT -0.834000 15.9994 0 27253 WAT 3922 TIP3 H1 HT 0.417000 1.0080 0 27254 WAT 3922 TIP3 H2 HT 0.417000 1.0080 0 27255 WAT 3923 TIP3 OH2 OT -0.834000 15.9994 0 27256 WAT 3923 TIP3 H1 HT 0.417000 1.0080 0 27257 WAT 3923 TIP3 H2 HT 0.417000 1.0080 0 27258 WAT 3924 TIP3 OH2 OT -0.834000 15.9994 0 27259 WAT 3924 TIP3 H1 HT 0.417000 1.0080 0 27260 WAT 3924 TIP3 H2 HT 0.417000 1.0080 0 27261 WAT 3925 TIP3 OH2 OT -0.834000 15.9994 0 27262 WAT 3925 TIP3 H1 HT 0.417000 1.0080 0 27263 WAT 3925 TIP3 H2 HT 0.417000 1.0080 0 27264 WAT 3926 TIP3 OH2 OT -0.834000 15.9994 0 27265 WAT 3926 TIP3 H1 HT 0.417000 1.0080 0 27266 WAT 3926 TIP3 H2 HT 0.417000 1.0080 0 27267 WAT 3927 TIP3 OH2 OT -0.834000 15.9994 0 27268 WAT 3927 TIP3 H1 HT 0.417000 1.0080 0 27269 WAT 3927 TIP3 H2 HT 0.417000 1.0080 0 27270 WAT 3928 TIP3 OH2 OT -0.834000 15.9994 0 27271 WAT 3928 TIP3 H1 HT 0.417000 1.0080 0 27272 WAT 3928 TIP3 H2 HT 0.417000 1.0080 0 27273 WAT 3929 TIP3 OH2 OT -0.834000 15.9994 0 27274 WAT 3929 TIP3 H1 HT 0.417000 1.0080 0 27275 WAT 3929 TIP3 H2 HT 0.417000 1.0080 0 27276 WAT 3930 TIP3 OH2 OT -0.834000 15.9994 0 27277 WAT 3930 TIP3 H1 HT 0.417000 1.0080 0 27278 WAT 3930 TIP3 H2 HT 0.417000 1.0080 0 27279 WAT 3931 TIP3 OH2 OT -0.834000 15.9994 0 27280 WAT 3931 TIP3 H1 HT 0.417000 1.0080 0 27281 WAT 3931 TIP3 H2 HT 0.417000 1.0080 0 27282 WAT 3932 TIP3 OH2 OT -0.834000 15.9994 0 27283 WAT 3932 TIP3 H1 HT 0.417000 1.0080 0 27284 WAT 3932 TIP3 H2 HT 0.417000 1.0080 0 27285 WAT 3933 TIP3 OH2 OT -0.834000 15.9994 0 27286 WAT 3933 TIP3 H1 HT 0.417000 1.0080 0 27287 WAT 3933 TIP3 H2 HT 0.417000 1.0080 0 27288 WAT 3934 TIP3 OH2 OT -0.834000 15.9994 0 27289 WAT 3934 TIP3 H1 HT 0.417000 1.0080 0 27290 WAT 3934 TIP3 H2 HT 0.417000 1.0080 0 27291 WAT 3935 TIP3 OH2 OT -0.834000 15.9994 0 27292 WAT 3935 TIP3 H1 HT 0.417000 1.0080 0 27293 WAT 3935 TIP3 H2 HT 0.417000 1.0080 0 27294 WAT 3936 TIP3 OH2 OT -0.834000 15.9994 0 27295 WAT 3936 TIP3 H1 HT 0.417000 1.0080 0 27296 WAT 3936 TIP3 H2 HT 0.417000 1.0080 0 27297 WAT 3937 TIP3 OH2 OT -0.834000 15.9994 0 27298 WAT 3937 TIP3 H1 HT 0.417000 1.0080 0 27299 WAT 3937 TIP3 H2 HT 0.417000 1.0080 0 27300 WAT 3938 TIP3 OH2 OT -0.834000 15.9994 0 27301 WAT 3938 TIP3 H1 HT 0.417000 1.0080 0 27302 WAT 3938 TIP3 H2 HT 0.417000 1.0080 0 27303 WAT 3939 TIP3 OH2 OT -0.834000 15.9994 0 27304 WAT 3939 TIP3 H1 HT 0.417000 1.0080 0 27305 WAT 3939 TIP3 H2 HT 0.417000 1.0080 0 27306 WAT 3940 TIP3 OH2 OT -0.834000 15.9994 0 27307 WAT 3940 TIP3 H1 HT 0.417000 1.0080 0 27308 WAT 3940 TIP3 H2 HT 0.417000 1.0080 0 27309 WAT 3941 TIP3 OH2 OT -0.834000 15.9994 0 27310 WAT 3941 TIP3 H1 HT 0.417000 1.0080 0 27311 WAT 3941 TIP3 H2 HT 0.417000 1.0080 0 27312 WAT 3942 TIP3 OH2 OT -0.834000 15.9994 0 27313 WAT 3942 TIP3 H1 HT 0.417000 1.0080 0 27314 WAT 3942 TIP3 H2 HT 0.417000 1.0080 0 27315 WAT 3943 TIP3 OH2 OT -0.834000 15.9994 0 27316 WAT 3943 TIP3 H1 HT 0.417000 1.0080 0 27317 WAT 3943 TIP3 H2 HT 0.417000 1.0080 0 27318 WAT 3944 TIP3 OH2 OT -0.834000 15.9994 0 27319 WAT 3944 TIP3 H1 HT 0.417000 1.0080 0 27320 WAT 3944 TIP3 H2 HT 0.417000 1.0080 0 27321 WAT 3945 TIP3 OH2 OT -0.834000 15.9994 0 27322 WAT 3945 TIP3 H1 HT 0.417000 1.0080 0 27323 WAT 3945 TIP3 H2 HT 0.417000 1.0080 0 27324 WAT 3946 TIP3 OH2 OT -0.834000 15.9994 0 27325 WAT 3946 TIP3 H1 HT 0.417000 1.0080 0 27326 WAT 3946 TIP3 H2 HT 0.417000 1.0080 0 27327 WAT 3947 TIP3 OH2 OT -0.834000 15.9994 0 27328 WAT 3947 TIP3 H1 HT 0.417000 1.0080 0 27329 WAT 3947 TIP3 H2 HT 0.417000 1.0080 0 27330 WAT 3948 TIP3 OH2 OT -0.834000 15.9994 0 27331 WAT 3948 TIP3 H1 HT 0.417000 1.0080 0 27332 WAT 3948 TIP3 H2 HT 0.417000 1.0080 0 27333 WAT 3949 TIP3 OH2 OT -0.834000 15.9994 0 27334 WAT 3949 TIP3 H1 HT 0.417000 1.0080 0 27335 WAT 3949 TIP3 H2 HT 0.417000 1.0080 0 27336 WAT 3950 TIP3 OH2 OT -0.834000 15.9994 0 27337 WAT 3950 TIP3 H1 HT 0.417000 1.0080 0 27338 WAT 3950 TIP3 H2 HT 0.417000 1.0080 0 27339 WAT 3951 TIP3 OH2 OT -0.834000 15.9994 0 27340 WAT 3951 TIP3 H1 HT 0.417000 1.0080 0 27341 WAT 3951 TIP3 H2 HT 0.417000 1.0080 0 27342 WAT 3952 TIP3 OH2 OT -0.834000 15.9994 0 27343 WAT 3952 TIP3 H1 HT 0.417000 1.0080 0 27344 WAT 3952 TIP3 H2 HT 0.417000 1.0080 0 27345 WAT 3953 TIP3 OH2 OT -0.834000 15.9994 0 27346 WAT 3953 TIP3 H1 HT 0.417000 1.0080 0 27347 WAT 3953 TIP3 H2 HT 0.417000 1.0080 0 27348 WAT 3954 TIP3 OH2 OT -0.834000 15.9994 0 27349 WAT 3954 TIP3 H1 HT 0.417000 1.0080 0 27350 WAT 3954 TIP3 H2 HT 0.417000 1.0080 0 27351 WAT 3955 TIP3 OH2 OT -0.834000 15.9994 0 27352 WAT 3955 TIP3 H1 HT 0.417000 1.0080 0 27353 WAT 3955 TIP3 H2 HT 0.417000 1.0080 0 27354 WAT 3956 TIP3 OH2 OT -0.834000 15.9994 0 27355 WAT 3956 TIP3 H1 HT 0.417000 1.0080 0 27356 WAT 3956 TIP3 H2 HT 0.417000 1.0080 0 27357 WAT 3957 TIP3 OH2 OT -0.834000 15.9994 0 27358 WAT 3957 TIP3 H1 HT 0.417000 1.0080 0 27359 WAT 3957 TIP3 H2 HT 0.417000 1.0080 0 27360 WAT 3958 TIP3 OH2 OT -0.834000 15.9994 0 27361 WAT 3958 TIP3 H1 HT 0.417000 1.0080 0 27362 WAT 3958 TIP3 H2 HT 0.417000 1.0080 0 27363 WAT 3959 TIP3 OH2 OT -0.834000 15.9994 0 27364 WAT 3959 TIP3 H1 HT 0.417000 1.0080 0 27365 WAT 3959 TIP3 H2 HT 0.417000 1.0080 0 27366 WAT 3960 TIP3 OH2 OT -0.834000 15.9994 0 27367 WAT 3960 TIP3 H1 HT 0.417000 1.0080 0 27368 WAT 3960 TIP3 H2 HT 0.417000 1.0080 0 27369 WAT 3961 TIP3 OH2 OT -0.834000 15.9994 0 27370 WAT 3961 TIP3 H1 HT 0.417000 1.0080 0 27371 WAT 3961 TIP3 H2 HT 0.417000 1.0080 0 27372 WAT 3962 TIP3 OH2 OT -0.834000 15.9994 0 27373 WAT 3962 TIP3 H1 HT 0.417000 1.0080 0 27374 WAT 3962 TIP3 H2 HT 0.417000 1.0080 0 27375 WAT 3963 TIP3 OH2 OT -0.834000 15.9994 0 27376 WAT 3963 TIP3 H1 HT 0.417000 1.0080 0 27377 WAT 3963 TIP3 H2 HT 0.417000 1.0080 0 27378 WAT 3964 TIP3 OH2 OT -0.834000 15.9994 0 27379 WAT 3964 TIP3 H1 HT 0.417000 1.0080 0 27380 WAT 3964 TIP3 H2 HT 0.417000 1.0080 0 27381 WAT 3965 TIP3 OH2 OT -0.834000 15.9994 0 27382 WAT 3965 TIP3 H1 HT 0.417000 1.0080 0 27383 WAT 3965 TIP3 H2 HT 0.417000 1.0080 0 27384 WAT 3966 TIP3 OH2 OT -0.834000 15.9994 0 27385 WAT 3966 TIP3 H1 HT 0.417000 1.0080 0 27386 WAT 3966 TIP3 H2 HT 0.417000 1.0080 0 27387 WAT 3967 TIP3 OH2 OT -0.834000 15.9994 0 27388 WAT 3967 TIP3 H1 HT 0.417000 1.0080 0 27389 WAT 3967 TIP3 H2 HT 0.417000 1.0080 0 27390 WAT 3968 TIP3 OH2 OT -0.834000 15.9994 0 27391 WAT 3968 TIP3 H1 HT 0.417000 1.0080 0 27392 WAT 3968 TIP3 H2 HT 0.417000 1.0080 0 27393 WAT 3969 TIP3 OH2 OT -0.834000 15.9994 0 27394 WAT 3969 TIP3 H1 HT 0.417000 1.0080 0 27395 WAT 3969 TIP3 H2 HT 0.417000 1.0080 0 27396 WAT 3970 TIP3 OH2 OT -0.834000 15.9994 0 27397 WAT 3970 TIP3 H1 HT 0.417000 1.0080 0 27398 WAT 3970 TIP3 H2 HT 0.417000 1.0080 0 27399 WAT 3971 TIP3 OH2 OT -0.834000 15.9994 0 27400 WAT 3971 TIP3 H1 HT 0.417000 1.0080 0 27401 WAT 3971 TIP3 H2 HT 0.417000 1.0080 0 27402 WAT 3972 TIP3 OH2 OT -0.834000 15.9994 0 27403 WAT 3972 TIP3 H1 HT 0.417000 1.0080 0 27404 WAT 3972 TIP3 H2 HT 0.417000 1.0080 0 27405 WAT 3973 TIP3 OH2 OT -0.834000 15.9994 0 27406 WAT 3973 TIP3 H1 HT 0.417000 1.0080 0 27407 WAT 3973 TIP3 H2 HT 0.417000 1.0080 0 27408 WAT 3974 TIP3 OH2 OT -0.834000 15.9994 0 27409 WAT 3974 TIP3 H1 HT 0.417000 1.0080 0 27410 WAT 3974 TIP3 H2 HT 0.417000 1.0080 0 27411 WAT 3975 TIP3 OH2 OT -0.834000 15.9994 0 27412 WAT 3975 TIP3 H1 HT 0.417000 1.0080 0 27413 WAT 3975 TIP3 H2 HT 0.417000 1.0080 0 27414 WAT 3976 TIP3 OH2 OT -0.834000 15.9994 0 27415 WAT 3976 TIP3 H1 HT 0.417000 1.0080 0 27416 WAT 3976 TIP3 H2 HT 0.417000 1.0080 0 27417 WAT 3977 TIP3 OH2 OT -0.834000 15.9994 0 27418 WAT 3977 TIP3 H1 HT 0.417000 1.0080 0 27419 WAT 3977 TIP3 H2 HT 0.417000 1.0080 0 27420 WAT 3978 TIP3 OH2 OT -0.834000 15.9994 0 27421 WAT 3978 TIP3 H1 HT 0.417000 1.0080 0 27422 WAT 3978 TIP3 H2 HT 0.417000 1.0080 0 27423 WAT 3979 TIP3 OH2 OT -0.834000 15.9994 0 27424 WAT 3979 TIP3 H1 HT 0.417000 1.0080 0 27425 WAT 3979 TIP3 H2 HT 0.417000 1.0080 0 27426 WAT 3980 TIP3 OH2 OT -0.834000 15.9994 0 27427 WAT 3980 TIP3 H1 HT 0.417000 1.0080 0 27428 WAT 3980 TIP3 H2 HT 0.417000 1.0080 0 27429 WAT 3981 TIP3 OH2 OT -0.834000 15.9994 0 27430 WAT 3981 TIP3 H1 HT 0.417000 1.0080 0 27431 WAT 3981 TIP3 H2 HT 0.417000 1.0080 0 27432 WAT 3982 TIP3 OH2 OT -0.834000 15.9994 0 27433 WAT 3982 TIP3 H1 HT 0.417000 1.0080 0 27434 WAT 3982 TIP3 H2 HT 0.417000 1.0080 0 27435 WAT 3983 TIP3 OH2 OT -0.834000 15.9994 0 27436 WAT 3983 TIP3 H1 HT 0.417000 1.0080 0 27437 WAT 3983 TIP3 H2 HT 0.417000 1.0080 0 27438 WAT 3984 TIP3 OH2 OT -0.834000 15.9994 0 27439 WAT 3984 TIP3 H1 HT 0.417000 1.0080 0 27440 WAT 3984 TIP3 H2 HT 0.417000 1.0080 0 27441 WAT 3985 TIP3 OH2 OT -0.834000 15.9994 0 27442 WAT 3985 TIP3 H1 HT 0.417000 1.0080 0 27443 WAT 3985 TIP3 H2 HT 0.417000 1.0080 0 27444 WAT 3986 TIP3 OH2 OT -0.834000 15.9994 0 27445 WAT 3986 TIP3 H1 HT 0.417000 1.0080 0 27446 WAT 3986 TIP3 H2 HT 0.417000 1.0080 0 27447 WAT 3987 TIP3 OH2 OT -0.834000 15.9994 0 27448 WAT 3987 TIP3 H1 HT 0.417000 1.0080 0 27449 WAT 3987 TIP3 H2 HT 0.417000 1.0080 0 27450 WAT 3988 TIP3 OH2 OT -0.834000 15.9994 0 27451 WAT 3988 TIP3 H1 HT 0.417000 1.0080 0 27452 WAT 3988 TIP3 H2 HT 0.417000 1.0080 0 27453 WAT 3989 TIP3 OH2 OT -0.834000 15.9994 0 27454 WAT 3989 TIP3 H1 HT 0.417000 1.0080 0 27455 WAT 3989 TIP3 H2 HT 0.417000 1.0080 0 27456 WAT 3990 TIP3 OH2 OT -0.834000 15.9994 0 27457 WAT 3990 TIP3 H1 HT 0.417000 1.0080 0 27458 WAT 3990 TIP3 H2 HT 0.417000 1.0080 0 27459 WAT 3991 TIP3 OH2 OT -0.834000 15.9994 0 27460 WAT 3991 TIP3 H1 HT 0.417000 1.0080 0 27461 WAT 3991 TIP3 H2 HT 0.417000 1.0080 0 27462 WAT 3992 TIP3 OH2 OT -0.834000 15.9994 0 27463 WAT 3992 TIP3 H1 HT 0.417000 1.0080 0 27464 WAT 3992 TIP3 H2 HT 0.417000 1.0080 0 27465 WAT 3993 TIP3 OH2 OT -0.834000 15.9994 0 27466 WAT 3993 TIP3 H1 HT 0.417000 1.0080 0 27467 WAT 3993 TIP3 H2 HT 0.417000 1.0080 0 27468 WAT 3994 TIP3 OH2 OT -0.834000 15.9994 0 27469 WAT 3994 TIP3 H1 HT 0.417000 1.0080 0 27470 WAT 3994 TIP3 H2 HT 0.417000 1.0080 0 27471 WAT 3995 TIP3 OH2 OT -0.834000 15.9994 0 27472 WAT 3995 TIP3 H1 HT 0.417000 1.0080 0 27473 WAT 3995 TIP3 H2 HT 0.417000 1.0080 0 27474 WAT 3996 TIP3 OH2 OT -0.834000 15.9994 0 27475 WAT 3996 TIP3 H1 HT 0.417000 1.0080 0 27476 WAT 3996 TIP3 H2 HT 0.417000 1.0080 0 27477 WAT 3997 TIP3 OH2 OT -0.834000 15.9994 0 27478 WAT 3997 TIP3 H1 HT 0.417000 1.0080 0 27479 WAT 3997 TIP3 H2 HT 0.417000 1.0080 0 27480 WAT 3998 TIP3 OH2 OT -0.834000 15.9994 0 27481 WAT 3998 TIP3 H1 HT 0.417000 1.0080 0 27482 WAT 3998 TIP3 H2 HT 0.417000 1.0080 0 27483 WAT 3999 TIP3 OH2 OT -0.834000 15.9994 0 27484 WAT 3999 TIP3 H1 HT 0.417000 1.0080 0 27485 WAT 3999 TIP3 H2 HT 0.417000 1.0080 0 27486 WAT 4000 TIP3 OH2 OT -0.834000 15.9994 0 27487 WAT 4000 TIP3 H1 HT 0.417000 1.0080 0 27488 WAT 4000 TIP3 H2 HT 0.417000 1.0080 0 27489 WAT 4001 TIP3 OH2 OT -0.834000 15.9994 0 27490 WAT 4001 TIP3 H1 HT 0.417000 1.0080 0 27491 WAT 4001 TIP3 H2 HT 0.417000 1.0080 0 27492 WAT 4002 TIP3 OH2 OT -0.834000 15.9994 0 27493 WAT 4002 TIP3 H1 HT 0.417000 1.0080 0 27494 WAT 4002 TIP3 H2 HT 0.417000 1.0080 0 27495 WAT 4003 TIP3 OH2 OT -0.834000 15.9994 0 27496 WAT 4003 TIP3 H1 HT 0.417000 1.0080 0 27497 WAT 4003 TIP3 H2 HT 0.417000 1.0080 0 27498 WAT 4004 TIP3 OH2 OT -0.834000 15.9994 0 27499 WAT 4004 TIP3 H1 HT 0.417000 1.0080 0 27500 WAT 4004 TIP3 H2 HT 0.417000 1.0080 0 27501 WAT 4005 TIP3 OH2 OT -0.834000 15.9994 0 27502 WAT 4005 TIP3 H1 HT 0.417000 1.0080 0 27503 WAT 4005 TIP3 H2 HT 0.417000 1.0080 0 27504 WAT 4006 TIP3 OH2 OT -0.834000 15.9994 0 27505 WAT 4006 TIP3 H1 HT 0.417000 1.0080 0 27506 WAT 4006 TIP3 H2 HT 0.417000 1.0080 0 27507 WAT 4007 TIP3 OH2 OT -0.834000 15.9994 0 27508 WAT 4007 TIP3 H1 HT 0.417000 1.0080 0 27509 WAT 4007 TIP3 H2 HT 0.417000 1.0080 0 27510 WAT 4008 TIP3 OH2 OT -0.834000 15.9994 0 27511 WAT 4008 TIP3 H1 HT 0.417000 1.0080 0 27512 WAT 4008 TIP3 H2 HT 0.417000 1.0080 0 27513 WAT 4009 TIP3 OH2 OT -0.834000 15.9994 0 27514 WAT 4009 TIP3 H1 HT 0.417000 1.0080 0 27515 WAT 4009 TIP3 H2 HT 0.417000 1.0080 0 27516 WAT 4010 TIP3 OH2 OT -0.834000 15.9994 0 27517 WAT 4010 TIP3 H1 HT 0.417000 1.0080 0 27518 WAT 4010 TIP3 H2 HT 0.417000 1.0080 0 27519 WAT 4011 TIP3 OH2 OT -0.834000 15.9994 0 27520 WAT 4011 TIP3 H1 HT 0.417000 1.0080 0 27521 WAT 4011 TIP3 H2 HT 0.417000 1.0080 0 27522 WAT 4012 TIP3 OH2 OT -0.834000 15.9994 0 27523 WAT 4012 TIP3 H1 HT 0.417000 1.0080 0 27524 WAT 4012 TIP3 H2 HT 0.417000 1.0080 0 27525 WAT 4013 TIP3 OH2 OT -0.834000 15.9994 0 27526 WAT 4013 TIP3 H1 HT 0.417000 1.0080 0 27527 WAT 4013 TIP3 H2 HT 0.417000 1.0080 0 27528 WAT 4014 TIP3 OH2 OT -0.834000 15.9994 0 27529 WAT 4014 TIP3 H1 HT 0.417000 1.0080 0 27530 WAT 4014 TIP3 H2 HT 0.417000 1.0080 0 27531 WAT 4015 TIP3 OH2 OT -0.834000 15.9994 0 27532 WAT 4015 TIP3 H1 HT 0.417000 1.0080 0 27533 WAT 4015 TIP3 H2 HT 0.417000 1.0080 0 27534 WAT 4016 TIP3 OH2 OT -0.834000 15.9994 0 27535 WAT 4016 TIP3 H1 HT 0.417000 1.0080 0 27536 WAT 4016 TIP3 H2 HT 0.417000 1.0080 0 27537 WAT 4017 TIP3 OH2 OT -0.834000 15.9994 0 27538 WAT 4017 TIP3 H1 HT 0.417000 1.0080 0 27539 WAT 4017 TIP3 H2 HT 0.417000 1.0080 0 27540 WAT 4018 TIP3 OH2 OT -0.834000 15.9994 0 27541 WAT 4018 TIP3 H1 HT 0.417000 1.0080 0 27542 WAT 4018 TIP3 H2 HT 0.417000 1.0080 0 27543 WAT 4019 TIP3 OH2 OT -0.834000 15.9994 0 27544 WAT 4019 TIP3 H1 HT 0.417000 1.0080 0 27545 WAT 4019 TIP3 H2 HT 0.417000 1.0080 0 27546 WAT 4020 TIP3 OH2 OT -0.834000 15.9994 0 27547 WAT 4020 TIP3 H1 HT 0.417000 1.0080 0 27548 WAT 4020 TIP3 H2 HT 0.417000 1.0080 0 27549 WAT 4021 TIP3 OH2 OT -0.834000 15.9994 0 27550 WAT 4021 TIP3 H1 HT 0.417000 1.0080 0 27551 WAT 4021 TIP3 H2 HT 0.417000 1.0080 0 27552 WAT 4022 TIP3 OH2 OT -0.834000 15.9994 0 27553 WAT 4022 TIP3 H1 HT 0.417000 1.0080 0 27554 WAT 4022 TIP3 H2 HT 0.417000 1.0080 0 27555 WAT 4023 TIP3 OH2 OT -0.834000 15.9994 0 27556 WAT 4023 TIP3 H1 HT 0.417000 1.0080 0 27557 WAT 4023 TIP3 H2 HT 0.417000 1.0080 0 27558 WAT 4024 TIP3 OH2 OT -0.834000 15.9994 0 27559 WAT 4024 TIP3 H1 HT 0.417000 1.0080 0 27560 WAT 4024 TIP3 H2 HT 0.417000 1.0080 0 27561 WAT 4025 TIP3 OH2 OT -0.834000 15.9994 0 27562 WAT 4025 TIP3 H1 HT 0.417000 1.0080 0 27563 WAT 4025 TIP3 H2 HT 0.417000 1.0080 0 27564 WAT 4026 TIP3 OH2 OT -0.834000 15.9994 0 27565 WAT 4026 TIP3 H1 HT 0.417000 1.0080 0 27566 WAT 4026 TIP3 H2 HT 0.417000 1.0080 0 27567 WAT 4027 TIP3 OH2 OT -0.834000 15.9994 0 27568 WAT 4027 TIP3 H1 HT 0.417000 1.0080 0 27569 WAT 4027 TIP3 H2 HT 0.417000 1.0080 0 27570 WAT 4028 TIP3 OH2 OT -0.834000 15.9994 0 27571 WAT 4028 TIP3 H1 HT 0.417000 1.0080 0 27572 WAT 4028 TIP3 H2 HT 0.417000 1.0080 0 27573 WAT 4029 TIP3 OH2 OT -0.834000 15.9994 0 27574 WAT 4029 TIP3 H1 HT 0.417000 1.0080 0 27575 WAT 4029 TIP3 H2 HT 0.417000 1.0080 0 27576 WAT 4030 TIP3 OH2 OT -0.834000 15.9994 0 27577 WAT 4030 TIP3 H1 HT 0.417000 1.0080 0 27578 WAT 4030 TIP3 H2 HT 0.417000 1.0080 0 27579 WAT 4031 TIP3 OH2 OT -0.834000 15.9994 0 27580 WAT 4031 TIP3 H1 HT 0.417000 1.0080 0 27581 WAT 4031 TIP3 H2 HT 0.417000 1.0080 0 27582 WAT 4032 TIP3 OH2 OT -0.834000 15.9994 0 27583 WAT 4032 TIP3 H1 HT 0.417000 1.0080 0 27584 WAT 4032 TIP3 H2 HT 0.417000 1.0080 0 27585 WAT 4033 TIP3 OH2 OT -0.834000 15.9994 0 27586 WAT 4033 TIP3 H1 HT 0.417000 1.0080 0 27587 WAT 4033 TIP3 H2 HT 0.417000 1.0080 0 27588 WAT 4034 TIP3 OH2 OT -0.834000 15.9994 0 27589 WAT 4034 TIP3 H1 HT 0.417000 1.0080 0 27590 WAT 4034 TIP3 H2 HT 0.417000 1.0080 0 27591 WAT 4035 TIP3 OH2 OT -0.834000 15.9994 0 27592 WAT 4035 TIP3 H1 HT 0.417000 1.0080 0 27593 WAT 4035 TIP3 H2 HT 0.417000 1.0080 0 27594 WAT 4036 TIP3 OH2 OT -0.834000 15.9994 0 27595 WAT 4036 TIP3 H1 HT 0.417000 1.0080 0 27596 WAT 4036 TIP3 H2 HT 0.417000 1.0080 0 27597 WAT 4037 TIP3 OH2 OT -0.834000 15.9994 0 27598 WAT 4037 TIP3 H1 HT 0.417000 1.0080 0 27599 WAT 4037 TIP3 H2 HT 0.417000 1.0080 0 27600 WAT 4038 TIP3 OH2 OT -0.834000 15.9994 0 27601 WAT 4038 TIP3 H1 HT 0.417000 1.0080 0 27602 WAT 4038 TIP3 H2 HT 0.417000 1.0080 0 27603 WAT 4039 TIP3 OH2 OT -0.834000 15.9994 0 27604 WAT 4039 TIP3 H1 HT 0.417000 1.0080 0 27605 WAT 4039 TIP3 H2 HT 0.417000 1.0080 0 27606 WAT 4040 TIP3 OH2 OT -0.834000 15.9994 0 27607 WAT 4040 TIP3 H1 HT 0.417000 1.0080 0 27608 WAT 4040 TIP3 H2 HT 0.417000 1.0080 0 27609 WAT 4041 TIP3 OH2 OT -0.834000 15.9994 0 27610 WAT 4041 TIP3 H1 HT 0.417000 1.0080 0 27611 WAT 4041 TIP3 H2 HT 0.417000 1.0080 0 27612 WAT 4042 TIP3 OH2 OT -0.834000 15.9994 0 27613 WAT 4042 TIP3 H1 HT 0.417000 1.0080 0 27614 WAT 4042 TIP3 H2 HT 0.417000 1.0080 0 27615 WAT 4043 TIP3 OH2 OT -0.834000 15.9994 0 27616 WAT 4043 TIP3 H1 HT 0.417000 1.0080 0 27617 WAT 4043 TIP3 H2 HT 0.417000 1.0080 0 27618 WAT 4044 TIP3 OH2 OT -0.834000 15.9994 0 27619 WAT 4044 TIP3 H1 HT 0.417000 1.0080 0 27620 WAT 4044 TIP3 H2 HT 0.417000 1.0080 0 27621 WAT 4045 TIP3 OH2 OT -0.834000 15.9994 0 27622 WAT 4045 TIP3 H1 HT 0.417000 1.0080 0 27623 WAT 4045 TIP3 H2 HT 0.417000 1.0080 0 27624 WAT 4046 TIP3 OH2 OT -0.834000 15.9994 0 27625 WAT 4046 TIP3 H1 HT 0.417000 1.0080 0 27626 WAT 4046 TIP3 H2 HT 0.417000 1.0080 0 27627 WAT 4047 TIP3 OH2 OT -0.834000 15.9994 0 27628 WAT 4047 TIP3 H1 HT 0.417000 1.0080 0 27629 WAT 4047 TIP3 H2 HT 0.417000 1.0080 0 27630 WAT 4048 TIP3 OH2 OT -0.834000 15.9994 0 27631 WAT 4048 TIP3 H1 HT 0.417000 1.0080 0 27632 WAT 4048 TIP3 H2 HT 0.417000 1.0080 0 27633 WAT 4049 TIP3 OH2 OT -0.834000 15.9994 0 27634 WAT 4049 TIP3 H1 HT 0.417000 1.0080 0 27635 WAT 4049 TIP3 H2 HT 0.417000 1.0080 0 27636 WAT 4050 TIP3 OH2 OT -0.834000 15.9994 0 27637 WAT 4050 TIP3 H1 HT 0.417000 1.0080 0 27638 WAT 4050 TIP3 H2 HT 0.417000 1.0080 0 27639 WAT 4051 TIP3 OH2 OT -0.834000 15.9994 0 27640 WAT 4051 TIP3 H1 HT 0.417000 1.0080 0 27641 WAT 4051 TIP3 H2 HT 0.417000 1.0080 0 27642 WAT 4052 TIP3 OH2 OT -0.834000 15.9994 0 27643 WAT 4052 TIP3 H1 HT 0.417000 1.0080 0 27644 WAT 4052 TIP3 H2 HT 0.417000 1.0080 0 27645 WAT 4053 TIP3 OH2 OT -0.834000 15.9994 0 27646 WAT 4053 TIP3 H1 HT 0.417000 1.0080 0 27647 WAT 4053 TIP3 H2 HT 0.417000 1.0080 0 27648 WAT 4054 TIP3 OH2 OT -0.834000 15.9994 0 27649 WAT 4054 TIP3 H1 HT 0.417000 1.0080 0 27650 WAT 4054 TIP3 H2 HT 0.417000 1.0080 0 27651 WAT 4055 TIP3 OH2 OT -0.834000 15.9994 0 27652 WAT 4055 TIP3 H1 HT 0.417000 1.0080 0 27653 WAT 4055 TIP3 H2 HT 0.417000 1.0080 0 27654 WAT 4056 TIP3 OH2 OT -0.834000 15.9994 0 27655 WAT 4056 TIP3 H1 HT 0.417000 1.0080 0 27656 WAT 4056 TIP3 H2 HT 0.417000 1.0080 0 27657 WAT 4057 TIP3 OH2 OT -0.834000 15.9994 0 27658 WAT 4057 TIP3 H1 HT 0.417000 1.0080 0 27659 WAT 4057 TIP3 H2 HT 0.417000 1.0080 0 27660 WAT 4058 TIP3 OH2 OT -0.834000 15.9994 0 27661 WAT 4058 TIP3 H1 HT 0.417000 1.0080 0 27662 WAT 4058 TIP3 H2 HT 0.417000 1.0080 0 27663 WAT 4059 TIP3 OH2 OT -0.834000 15.9994 0 27664 WAT 4059 TIP3 H1 HT 0.417000 1.0080 0 27665 WAT 4059 TIP3 H2 HT 0.417000 1.0080 0 27666 WAT 4060 TIP3 OH2 OT -0.834000 15.9994 0 27667 WAT 4060 TIP3 H1 HT 0.417000 1.0080 0 27668 WAT 4060 TIP3 H2 HT 0.417000 1.0080 0 27669 WAT 4061 TIP3 OH2 OT -0.834000 15.9994 0 27670 WAT 4061 TIP3 H1 HT 0.417000 1.0080 0 27671 WAT 4061 TIP3 H2 HT 0.417000 1.0080 0 27672 WAT 4062 TIP3 OH2 OT -0.834000 15.9994 0 27673 WAT 4062 TIP3 H1 HT 0.417000 1.0080 0 27674 WAT 4062 TIP3 H2 HT 0.417000 1.0080 0 27675 WAT 4063 TIP3 OH2 OT -0.834000 15.9994 0 27676 WAT 4063 TIP3 H1 HT 0.417000 1.0080 0 27677 WAT 4063 TIP3 H2 HT 0.417000 1.0080 0 27678 WAT 4064 TIP3 OH2 OT -0.834000 15.9994 0 27679 WAT 4064 TIP3 H1 HT 0.417000 1.0080 0 27680 WAT 4064 TIP3 H2 HT 0.417000 1.0080 0 27681 WAT 4065 TIP3 OH2 OT -0.834000 15.9994 0 27682 WAT 4065 TIP3 H1 HT 0.417000 1.0080 0 27683 WAT 4065 TIP3 H2 HT 0.417000 1.0080 0 27684 WAT 4066 TIP3 OH2 OT -0.834000 15.9994 0 27685 WAT 4066 TIP3 H1 HT 0.417000 1.0080 0 27686 WAT 4066 TIP3 H2 HT 0.417000 1.0080 0 27687 WAT 4067 TIP3 OH2 OT -0.834000 15.9994 0 27688 WAT 4067 TIP3 H1 HT 0.417000 1.0080 0 27689 WAT 4067 TIP3 H2 HT 0.417000 1.0080 0 27690 WAT 4068 TIP3 OH2 OT -0.834000 15.9994 0 27691 WAT 4068 TIP3 H1 HT 0.417000 1.0080 0 27692 WAT 4068 TIP3 H2 HT 0.417000 1.0080 0 27693 WAT 4069 TIP3 OH2 OT -0.834000 15.9994 0 27694 WAT 4069 TIP3 H1 HT 0.417000 1.0080 0 27695 WAT 4069 TIP3 H2 HT 0.417000 1.0080 0 27696 WAT 4070 TIP3 OH2 OT -0.834000 15.9994 0 27697 WAT 4070 TIP3 H1 HT 0.417000 1.0080 0 27698 WAT 4070 TIP3 H2 HT 0.417000 1.0080 0 27699 WAT 4071 TIP3 OH2 OT -0.834000 15.9994 0 27700 WAT 4071 TIP3 H1 HT 0.417000 1.0080 0 27701 WAT 4071 TIP3 H2 HT 0.417000 1.0080 0 27702 WAT 4072 TIP3 OH2 OT -0.834000 15.9994 0 27703 WAT 4072 TIP3 H1 HT 0.417000 1.0080 0 27704 WAT 4072 TIP3 H2 HT 0.417000 1.0080 0 27705 WAT 4073 TIP3 OH2 OT -0.834000 15.9994 0 27706 WAT 4073 TIP3 H1 HT 0.417000 1.0080 0 27707 WAT 4073 TIP3 H2 HT 0.417000 1.0080 0 27708 WAT 4074 TIP3 OH2 OT -0.834000 15.9994 0 27709 WAT 4074 TIP3 H1 HT 0.417000 1.0080 0 27710 WAT 4074 TIP3 H2 HT 0.417000 1.0080 0 27711 WAT 4075 TIP3 OH2 OT -0.834000 15.9994 0 27712 WAT 4075 TIP3 H1 HT 0.417000 1.0080 0 27713 WAT 4075 TIP3 H2 HT 0.417000 1.0080 0 27714 WAT 4076 TIP3 OH2 OT -0.834000 15.9994 0 27715 WAT 4076 TIP3 H1 HT 0.417000 1.0080 0 27716 WAT 4076 TIP3 H2 HT 0.417000 1.0080 0 27717 WAT 4077 TIP3 OH2 OT -0.834000 15.9994 0 27718 WAT 4077 TIP3 H1 HT 0.417000 1.0080 0 27719 WAT 4077 TIP3 H2 HT 0.417000 1.0080 0 27720 WAT 4078 TIP3 OH2 OT -0.834000 15.9994 0 27721 WAT 4078 TIP3 H1 HT 0.417000 1.0080 0 27722 WAT 4078 TIP3 H2 HT 0.417000 1.0080 0 27723 WAT 4079 TIP3 OH2 OT -0.834000 15.9994 0 27724 WAT 4079 TIP3 H1 HT 0.417000 1.0080 0 27725 WAT 4079 TIP3 H2 HT 0.417000 1.0080 0 27726 WAT 4080 TIP3 OH2 OT -0.834000 15.9994 0 27727 WAT 4080 TIP3 H1 HT 0.417000 1.0080 0 27728 WAT 4080 TIP3 H2 HT 0.417000 1.0080 0 27729 WAT 4081 TIP3 OH2 OT -0.834000 15.9994 0 27730 WAT 4081 TIP3 H1 HT 0.417000 1.0080 0 27731 WAT 4081 TIP3 H2 HT 0.417000 1.0080 0 27732 WAT 4082 TIP3 OH2 OT -0.834000 15.9994 0 27733 WAT 4082 TIP3 H1 HT 0.417000 1.0080 0 27734 WAT 4082 TIP3 H2 HT 0.417000 1.0080 0 27735 WAT 4083 TIP3 OH2 OT -0.834000 15.9994 0 27736 WAT 4083 TIP3 H1 HT 0.417000 1.0080 0 27737 WAT 4083 TIP3 H2 HT 0.417000 1.0080 0 27738 WAT 4084 TIP3 OH2 OT -0.834000 15.9994 0 27739 WAT 4084 TIP3 H1 HT 0.417000 1.0080 0 27740 WAT 4084 TIP3 H2 HT 0.417000 1.0080 0 27741 WAT 4085 TIP3 OH2 OT -0.834000 15.9994 0 27742 WAT 4085 TIP3 H1 HT 0.417000 1.0080 0 27743 WAT 4085 TIP3 H2 HT 0.417000 1.0080 0 27744 WAT 4086 TIP3 OH2 OT -0.834000 15.9994 0 27745 WAT 4086 TIP3 H1 HT 0.417000 1.0080 0 27746 WAT 4086 TIP3 H2 HT 0.417000 1.0080 0 27747 WAT 4087 TIP3 OH2 OT -0.834000 15.9994 0 27748 WAT 4087 TIP3 H1 HT 0.417000 1.0080 0 27749 WAT 4087 TIP3 H2 HT 0.417000 1.0080 0 27750 WAT 4088 TIP3 OH2 OT -0.834000 15.9994 0 27751 WAT 4088 TIP3 H1 HT 0.417000 1.0080 0 27752 WAT 4088 TIP3 H2 HT 0.417000 1.0080 0 27753 WAT 4089 TIP3 OH2 OT -0.834000 15.9994 0 27754 WAT 4089 TIP3 H1 HT 0.417000 1.0080 0 27755 WAT 4089 TIP3 H2 HT 0.417000 1.0080 0 27756 WAT 4090 TIP3 OH2 OT -0.834000 15.9994 0 27757 WAT 4090 TIP3 H1 HT 0.417000 1.0080 0 27758 WAT 4090 TIP3 H2 HT 0.417000 1.0080 0 27759 WAT 4091 TIP3 OH2 OT -0.834000 15.9994 0 27760 WAT 4091 TIP3 H1 HT 0.417000 1.0080 0 27761 WAT 4091 TIP3 H2 HT 0.417000 1.0080 0 27762 WAT 4092 TIP3 OH2 OT -0.834000 15.9994 0 27763 WAT 4092 TIP3 H1 HT 0.417000 1.0080 0 27764 WAT 4092 TIP3 H2 HT 0.417000 1.0080 0 27765 WAT 4093 TIP3 OH2 OT -0.834000 15.9994 0 27766 WAT 4093 TIP3 H1 HT 0.417000 1.0080 0 27767 WAT 4093 TIP3 H2 HT 0.417000 1.0080 0 27768 WAT 4094 TIP3 OH2 OT -0.834000 15.9994 0 27769 WAT 4094 TIP3 H1 HT 0.417000 1.0080 0 27770 WAT 4094 TIP3 H2 HT 0.417000 1.0080 0 27771 WAT 4095 TIP3 OH2 OT -0.834000 15.9994 0 27772 WAT 4095 TIP3 H1 HT 0.417000 1.0080 0 27773 WAT 4095 TIP3 H2 HT 0.417000 1.0080 0 27774 WAT 4096 TIP3 OH2 OT -0.834000 15.9994 0 27775 WAT 4096 TIP3 H1 HT 0.417000 1.0080 0 27776 WAT 4096 TIP3 H2 HT 0.417000 1.0080 0 27777 WAT 4097 TIP3 OH2 OT -0.834000 15.9994 0 27778 WAT 4097 TIP3 H1 HT 0.417000 1.0080 0 27779 WAT 4097 TIP3 H2 HT 0.417000 1.0080 0 27780 WAT 4098 TIP3 OH2 OT -0.834000 15.9994 0 27781 WAT 4098 TIP3 H1 HT 0.417000 1.0080 0 27782 WAT 4098 TIP3 H2 HT 0.417000 1.0080 0 27783 WAT 4099 TIP3 OH2 OT -0.834000 15.9994 0 27784 WAT 4099 TIP3 H1 HT 0.417000 1.0080 0 27785 WAT 4099 TIP3 H2 HT 0.417000 1.0080 0 27786 WAT 4100 TIP3 OH2 OT -0.834000 15.9994 0 27787 WAT 4100 TIP3 H1 HT 0.417000 1.0080 0 27788 WAT 4100 TIP3 H2 HT 0.417000 1.0080 0 27789 WAT 4101 TIP3 OH2 OT -0.834000 15.9994 0 27790 WAT 4101 TIP3 H1 HT 0.417000 1.0080 0 27791 WAT 4101 TIP3 H2 HT 0.417000 1.0080 0 27792 WAT 4102 TIP3 OH2 OT -0.834000 15.9994 0 27793 WAT 4102 TIP3 H1 HT 0.417000 1.0080 0 27794 WAT 4102 TIP3 H2 HT 0.417000 1.0080 0 27795 WAT 4103 TIP3 OH2 OT -0.834000 15.9994 0 27796 WAT 4103 TIP3 H1 HT 0.417000 1.0080 0 27797 WAT 4103 TIP3 H2 HT 0.417000 1.0080 0 27798 WAT 4104 TIP3 OH2 OT -0.834000 15.9994 0 27799 WAT 4104 TIP3 H1 HT 0.417000 1.0080 0 27800 WAT 4104 TIP3 H2 HT 0.417000 1.0080 0 27801 WAT 4105 TIP3 OH2 OT -0.834000 15.9994 0 27802 WAT 4105 TIP3 H1 HT 0.417000 1.0080 0 27803 WAT 4105 TIP3 H2 HT 0.417000 1.0080 0 27804 WAT 4106 TIP3 OH2 OT -0.834000 15.9994 0 27805 WAT 4106 TIP3 H1 HT 0.417000 1.0080 0 27806 WAT 4106 TIP3 H2 HT 0.417000 1.0080 0 27807 WAT 4107 TIP3 OH2 OT -0.834000 15.9994 0 27808 WAT 4107 TIP3 H1 HT 0.417000 1.0080 0 27809 WAT 4107 TIP3 H2 HT 0.417000 1.0080 0 27810 WAT 4108 TIP3 OH2 OT -0.834000 15.9994 0 27811 WAT 4108 TIP3 H1 HT 0.417000 1.0080 0 27812 WAT 4108 TIP3 H2 HT 0.417000 1.0080 0 27813 WAT 4109 TIP3 OH2 OT -0.834000 15.9994 0 27814 WAT 4109 TIP3 H1 HT 0.417000 1.0080 0 27815 WAT 4109 TIP3 H2 HT 0.417000 1.0080 0 27816 WAT 4110 TIP3 OH2 OT -0.834000 15.9994 0 27817 WAT 4110 TIP3 H1 HT 0.417000 1.0080 0 27818 WAT 4110 TIP3 H2 HT 0.417000 1.0080 0 27819 WAT 4111 TIP3 OH2 OT -0.834000 15.9994 0 27820 WAT 4111 TIP3 H1 HT 0.417000 1.0080 0 27821 WAT 4111 TIP3 H2 HT 0.417000 1.0080 0 27822 WAT 4112 TIP3 OH2 OT -0.834000 15.9994 0 27823 WAT 4112 TIP3 H1 HT 0.417000 1.0080 0 27824 WAT 4112 TIP3 H2 HT 0.417000 1.0080 0 27825 WAT 4113 TIP3 OH2 OT -0.834000 15.9994 0 27826 WAT 4113 TIP3 H1 HT 0.417000 1.0080 0 27827 WAT 4113 TIP3 H2 HT 0.417000 1.0080 0 27828 WAT 4114 TIP3 OH2 OT -0.834000 15.9994 0 27829 WAT 4114 TIP3 H1 HT 0.417000 1.0080 0 27830 WAT 4114 TIP3 H2 HT 0.417000 1.0080 0 27831 WAT 4115 TIP3 OH2 OT -0.834000 15.9994 0 27832 WAT 4115 TIP3 H1 HT 0.417000 1.0080 0 27833 WAT 4115 TIP3 H2 HT 0.417000 1.0080 0 27834 WAT 4116 TIP3 OH2 OT -0.834000 15.9994 0 27835 WAT 4116 TIP3 H1 HT 0.417000 1.0080 0 27836 WAT 4116 TIP3 H2 HT 0.417000 1.0080 0 27837 WAT 4117 TIP3 OH2 OT -0.834000 15.9994 0 27838 WAT 4117 TIP3 H1 HT 0.417000 1.0080 0 27839 WAT 4117 TIP3 H2 HT 0.417000 1.0080 0 27840 WAT 4118 TIP3 OH2 OT -0.834000 15.9994 0 27841 WAT 4118 TIP3 H1 HT 0.417000 1.0080 0 27842 WAT 4118 TIP3 H2 HT 0.417000 1.0080 0 27843 WAT 4119 TIP3 OH2 OT -0.834000 15.9994 0 27844 WAT 4119 TIP3 H1 HT 0.417000 1.0080 0 27845 WAT 4119 TIP3 H2 HT 0.417000 1.0080 0 27846 WAT 4120 TIP3 OH2 OT -0.834000 15.9994 0 27847 WAT 4120 TIP3 H1 HT 0.417000 1.0080 0 27848 WAT 4120 TIP3 H2 HT 0.417000 1.0080 0 27849 WAT 4121 TIP3 OH2 OT -0.834000 15.9994 0 27850 WAT 4121 TIP3 H1 HT 0.417000 1.0080 0 27851 WAT 4121 TIP3 H2 HT 0.417000 1.0080 0 27852 WAT 4122 TIP3 OH2 OT -0.834000 15.9994 0 27853 WAT 4122 TIP3 H1 HT 0.417000 1.0080 0 27854 WAT 4122 TIP3 H2 HT 0.417000 1.0080 0 27855 WAT 4123 TIP3 OH2 OT -0.834000 15.9994 0 27856 WAT 4123 TIP3 H1 HT 0.417000 1.0080 0 27857 WAT 4123 TIP3 H2 HT 0.417000 1.0080 0 27858 WAT 4124 TIP3 OH2 OT -0.834000 15.9994 0 27859 WAT 4124 TIP3 H1 HT 0.417000 1.0080 0 27860 WAT 4124 TIP3 H2 HT 0.417000 1.0080 0 27861 WAT 4125 TIP3 OH2 OT -0.834000 15.9994 0 27862 WAT 4125 TIP3 H1 HT 0.417000 1.0080 0 27863 WAT 4125 TIP3 H2 HT 0.417000 1.0080 0 27864 WAT 4126 TIP3 OH2 OT -0.834000 15.9994 0 27865 WAT 4126 TIP3 H1 HT 0.417000 1.0080 0 27866 WAT 4126 TIP3 H2 HT 0.417000 1.0080 0 27867 WAT 4127 TIP3 OH2 OT -0.834000 15.9994 0 27868 WAT 4127 TIP3 H1 HT 0.417000 1.0080 0 27869 WAT 4127 TIP3 H2 HT 0.417000 1.0080 0 27870 WAT 4128 TIP3 OH2 OT -0.834000 15.9994 0 27871 WAT 4128 TIP3 H1 HT 0.417000 1.0080 0 27872 WAT 4128 TIP3 H2 HT 0.417000 1.0080 0 27873 WAT 4129 TIP3 OH2 OT -0.834000 15.9994 0 27874 WAT 4129 TIP3 H1 HT 0.417000 1.0080 0 27875 WAT 4129 TIP3 H2 HT 0.417000 1.0080 0 27876 WAT 4130 TIP3 OH2 OT -0.834000 15.9994 0 27877 WAT 4130 TIP3 H1 HT 0.417000 1.0080 0 27878 WAT 4130 TIP3 H2 HT 0.417000 1.0080 0 27879 WAT 4131 TIP3 OH2 OT -0.834000 15.9994 0 27880 WAT 4131 TIP3 H1 HT 0.417000 1.0080 0 27881 WAT 4131 TIP3 H2 HT 0.417000 1.0080 0 27882 WAT 4132 TIP3 OH2 OT -0.834000 15.9994 0 27883 WAT 4132 TIP3 H1 HT 0.417000 1.0080 0 27884 WAT 4132 TIP3 H2 HT 0.417000 1.0080 0 27885 WAT 4133 TIP3 OH2 OT -0.834000 15.9994 0 27886 WAT 4133 TIP3 H1 HT 0.417000 1.0080 0 27887 WAT 4133 TIP3 H2 HT 0.417000 1.0080 0 27888 WAT 4134 TIP3 OH2 OT -0.834000 15.9994 0 27889 WAT 4134 TIP3 H1 HT 0.417000 1.0080 0 27890 WAT 4134 TIP3 H2 HT 0.417000 1.0080 0 27891 WAT 4135 TIP3 OH2 OT -0.834000 15.9994 0 27892 WAT 4135 TIP3 H1 HT 0.417000 1.0080 0 27893 WAT 4135 TIP3 H2 HT 0.417000 1.0080 0 27894 WAT 4136 TIP3 OH2 OT -0.834000 15.9994 0 27895 WAT 4136 TIP3 H1 HT 0.417000 1.0080 0 27896 WAT 4136 TIP3 H2 HT 0.417000 1.0080 0 27897 WAT 4137 TIP3 OH2 OT -0.834000 15.9994 0 27898 WAT 4137 TIP3 H1 HT 0.417000 1.0080 0 27899 WAT 4137 TIP3 H2 HT 0.417000 1.0080 0 27900 WAT 4138 TIP3 OH2 OT -0.834000 15.9994 0 27901 WAT 4138 TIP3 H1 HT 0.417000 1.0080 0 27902 WAT 4138 TIP3 H2 HT 0.417000 1.0080 0 27903 WAT 4139 TIP3 OH2 OT -0.834000 15.9994 0 27904 WAT 4139 TIP3 H1 HT 0.417000 1.0080 0 27905 WAT 4139 TIP3 H2 HT 0.417000 1.0080 0 27906 WAT 4140 TIP3 OH2 OT -0.834000 15.9994 0 27907 WAT 4140 TIP3 H1 HT 0.417000 1.0080 0 27908 WAT 4140 TIP3 H2 HT 0.417000 1.0080 0 27909 WAT 4141 TIP3 OH2 OT -0.834000 15.9994 0 27910 WAT 4141 TIP3 H1 HT 0.417000 1.0080 0 27911 WAT 4141 TIP3 H2 HT 0.417000 1.0080 0 27912 WAT 4142 TIP3 OH2 OT -0.834000 15.9994 0 27913 WAT 4142 TIP3 H1 HT 0.417000 1.0080 0 27914 WAT 4142 TIP3 H2 HT 0.417000 1.0080 0 27915 WAT 4143 TIP3 OH2 OT -0.834000 15.9994 0 27916 WAT 4143 TIP3 H1 HT 0.417000 1.0080 0 27917 WAT 4143 TIP3 H2 HT 0.417000 1.0080 0 27918 WAT 4144 TIP3 OH2 OT -0.834000 15.9994 0 27919 WAT 4144 TIP3 H1 HT 0.417000 1.0080 0 27920 WAT 4144 TIP3 H2 HT 0.417000 1.0080 0 27921 WAT 4145 TIP3 OH2 OT -0.834000 15.9994 0 27922 WAT 4145 TIP3 H1 HT 0.417000 1.0080 0 27923 WAT 4145 TIP3 H2 HT 0.417000 1.0080 0 27924 WAT 4146 TIP3 OH2 OT -0.834000 15.9994 0 27925 WAT 4146 TIP3 H1 HT 0.417000 1.0080 0 27926 WAT 4146 TIP3 H2 HT 0.417000 1.0080 0 27927 WAT 4147 TIP3 OH2 OT -0.834000 15.9994 0 27928 WAT 4147 TIP3 H1 HT 0.417000 1.0080 0 27929 WAT 4147 TIP3 H2 HT 0.417000 1.0080 0 27930 WAT 4148 TIP3 OH2 OT -0.834000 15.9994 0 27931 WAT 4148 TIP3 H1 HT 0.417000 1.0080 0 27932 WAT 4148 TIP3 H2 HT 0.417000 1.0080 0 27933 WAT 4149 TIP3 OH2 OT -0.834000 15.9994 0 27934 WAT 4149 TIP3 H1 HT 0.417000 1.0080 0 27935 WAT 4149 TIP3 H2 HT 0.417000 1.0080 0 27936 WAT 4150 TIP3 OH2 OT -0.834000 15.9994 0 27937 WAT 4150 TIP3 H1 HT 0.417000 1.0080 0 27938 WAT 4150 TIP3 H2 HT 0.417000 1.0080 0 27939 WAT 4151 TIP3 OH2 OT -0.834000 15.9994 0 27940 WAT 4151 TIP3 H1 HT 0.417000 1.0080 0 27941 WAT 4151 TIP3 H2 HT 0.417000 1.0080 0 27942 WAT 4152 TIP3 OH2 OT -0.834000 15.9994 0 27943 WAT 4152 TIP3 H1 HT 0.417000 1.0080 0 27944 WAT 4152 TIP3 H2 HT 0.417000 1.0080 0 27945 WAT 4153 TIP3 OH2 OT -0.834000 15.9994 0 27946 WAT 4153 TIP3 H1 HT 0.417000 1.0080 0 27947 WAT 4153 TIP3 H2 HT 0.417000 1.0080 0 27948 WAT 4154 TIP3 OH2 OT -0.834000 15.9994 0 27949 WAT 4154 TIP3 H1 HT 0.417000 1.0080 0 27950 WAT 4154 TIP3 H2 HT 0.417000 1.0080 0 27951 WAT 4155 TIP3 OH2 OT -0.834000 15.9994 0 27952 WAT 4155 TIP3 H1 HT 0.417000 1.0080 0 27953 WAT 4155 TIP3 H2 HT 0.417000 1.0080 0 27954 WAT 4156 TIP3 OH2 OT -0.834000 15.9994 0 27955 WAT 4156 TIP3 H1 HT 0.417000 1.0080 0 27956 WAT 4156 TIP3 H2 HT 0.417000 1.0080 0 27957 WAT 4157 TIP3 OH2 OT -0.834000 15.9994 0 27958 WAT 4157 TIP3 H1 HT 0.417000 1.0080 0 27959 WAT 4157 TIP3 H2 HT 0.417000 1.0080 0 27960 WAT 4158 TIP3 OH2 OT -0.834000 15.9994 0 27961 WAT 4158 TIP3 H1 HT 0.417000 1.0080 0 27962 WAT 4158 TIP3 H2 HT 0.417000 1.0080 0 27963 WAT 4159 TIP3 OH2 OT -0.834000 15.9994 0 27964 WAT 4159 TIP3 H1 HT 0.417000 1.0080 0 27965 WAT 4159 TIP3 H2 HT 0.417000 1.0080 0 27966 WAT 4160 TIP3 OH2 OT -0.834000 15.9994 0 27967 WAT 4160 TIP3 H1 HT 0.417000 1.0080 0 27968 WAT 4160 TIP3 H2 HT 0.417000 1.0080 0 27969 WAT 4161 TIP3 OH2 OT -0.834000 15.9994 0 27970 WAT 4161 TIP3 H1 HT 0.417000 1.0080 0 27971 WAT 4161 TIP3 H2 HT 0.417000 1.0080 0 27972 WAT 4162 TIP3 OH2 OT -0.834000 15.9994 0 27973 WAT 4162 TIP3 H1 HT 0.417000 1.0080 0 27974 WAT 4162 TIP3 H2 HT 0.417000 1.0080 0 27975 WAT 4163 TIP3 OH2 OT -0.834000 15.9994 0 27976 WAT 4163 TIP3 H1 HT 0.417000 1.0080 0 27977 WAT 4163 TIP3 H2 HT 0.417000 1.0080 0 27978 WAT 4164 TIP3 OH2 OT -0.834000 15.9994 0 27979 WAT 4164 TIP3 H1 HT 0.417000 1.0080 0 27980 WAT 4164 TIP3 H2 HT 0.417000 1.0080 0 27981 WAT 4165 TIP3 OH2 OT -0.834000 15.9994 0 27982 WAT 4165 TIP3 H1 HT 0.417000 1.0080 0 27983 WAT 4165 TIP3 H2 HT 0.417000 1.0080 0 27984 WAT 4166 TIP3 OH2 OT -0.834000 15.9994 0 27985 WAT 4166 TIP3 H1 HT 0.417000 1.0080 0 27986 WAT 4166 TIP3 H2 HT 0.417000 1.0080 0 27987 WAT 4167 TIP3 OH2 OT -0.834000 15.9994 0 27988 WAT 4167 TIP3 H1 HT 0.417000 1.0080 0 27989 WAT 4167 TIP3 H2 HT 0.417000 1.0080 0 27990 WAT 4168 TIP3 OH2 OT -0.834000 15.9994 0 27991 WAT 4168 TIP3 H1 HT 0.417000 1.0080 0 27992 WAT 4168 TIP3 H2 HT 0.417000 1.0080 0 27993 WAT 4169 TIP3 OH2 OT -0.834000 15.9994 0 27994 WAT 4169 TIP3 H1 HT 0.417000 1.0080 0 27995 WAT 4169 TIP3 H2 HT 0.417000 1.0080 0 27996 WAT 4170 TIP3 OH2 OT -0.834000 15.9994 0 27997 WAT 4170 TIP3 H1 HT 0.417000 1.0080 0 27998 WAT 4170 TIP3 H2 HT 0.417000 1.0080 0 27999 WAT 4171 TIP3 OH2 OT -0.834000 15.9994 0 28000 WAT 4171 TIP3 H1 HT 0.417000 1.0080 0 28001 WAT 4171 TIP3 H2 HT 0.417000 1.0080 0 28002 WAT 4172 TIP3 OH2 OT -0.834000 15.9994 0 28003 WAT 4172 TIP3 H1 HT 0.417000 1.0080 0 28004 WAT 4172 TIP3 H2 HT 0.417000 1.0080 0 28005 WAT 4173 TIP3 OH2 OT -0.834000 15.9994 0 28006 WAT 4173 TIP3 H1 HT 0.417000 1.0080 0 28007 WAT 4173 TIP3 H2 HT 0.417000 1.0080 0 28008 WAT 4174 TIP3 OH2 OT -0.834000 15.9994 0 28009 WAT 4174 TIP3 H1 HT 0.417000 1.0080 0 28010 WAT 4174 TIP3 H2 HT 0.417000 1.0080 0 28011 WAT 4175 TIP3 OH2 OT -0.834000 15.9994 0 28012 WAT 4175 TIP3 H1 HT 0.417000 1.0080 0 28013 WAT 4175 TIP3 H2 HT 0.417000 1.0080 0 28014 WAT 4176 TIP3 OH2 OT -0.834000 15.9994 0 28015 WAT 4176 TIP3 H1 HT 0.417000 1.0080 0 28016 WAT 4176 TIP3 H2 HT 0.417000 1.0080 0 28017 WAT 4177 TIP3 OH2 OT -0.834000 15.9994 0 28018 WAT 4177 TIP3 H1 HT 0.417000 1.0080 0 28019 WAT 4177 TIP3 H2 HT 0.417000 1.0080 0 28020 WAT 4178 TIP3 OH2 OT -0.834000 15.9994 0 28021 WAT 4178 TIP3 H1 HT 0.417000 1.0080 0 28022 WAT 4178 TIP3 H2 HT 0.417000 1.0080 0 28023 WAT 4179 TIP3 OH2 OT -0.834000 15.9994 0 28024 WAT 4179 TIP3 H1 HT 0.417000 1.0080 0 28025 WAT 4179 TIP3 H2 HT 0.417000 1.0080 0 28026 WAT 4180 TIP3 OH2 OT -0.834000 15.9994 0 28027 WAT 4180 TIP3 H1 HT 0.417000 1.0080 0 28028 WAT 4180 TIP3 H2 HT 0.417000 1.0080 0 28029 WAT 4181 TIP3 OH2 OT -0.834000 15.9994 0 28030 WAT 4181 TIP3 H1 HT 0.417000 1.0080 0 28031 WAT 4181 TIP3 H2 HT 0.417000 1.0080 0 28032 WAT 4182 TIP3 OH2 OT -0.834000 15.9994 0 28033 WAT 4182 TIP3 H1 HT 0.417000 1.0080 0 28034 WAT 4182 TIP3 H2 HT 0.417000 1.0080 0 28035 WAT 4183 TIP3 OH2 OT -0.834000 15.9994 0 28036 WAT 4183 TIP3 H1 HT 0.417000 1.0080 0 28037 WAT 4183 TIP3 H2 HT 0.417000 1.0080 0 28038 WAT 4184 TIP3 OH2 OT -0.834000 15.9994 0 28039 WAT 4184 TIP3 H1 HT 0.417000 1.0080 0 28040 WAT 4184 TIP3 H2 HT 0.417000 1.0080 0 28041 WAT 4185 TIP3 OH2 OT -0.834000 15.9994 0 28042 WAT 4185 TIP3 H1 HT 0.417000 1.0080 0 28043 WAT 4185 TIP3 H2 HT 0.417000 1.0080 0 28044 WAT 4186 TIP3 OH2 OT -0.834000 15.9994 0 28045 WAT 4186 TIP3 H1 HT 0.417000 1.0080 0 28046 WAT 4186 TIP3 H2 HT 0.417000 1.0080 0 28047 WAT 4187 TIP3 OH2 OT -0.834000 15.9994 0 28048 WAT 4187 TIP3 H1 HT 0.417000 1.0080 0 28049 WAT 4187 TIP3 H2 HT 0.417000 1.0080 0 28050 WAT 4188 TIP3 OH2 OT -0.834000 15.9994 0 28051 WAT 4188 TIP3 H1 HT 0.417000 1.0080 0 28052 WAT 4188 TIP3 H2 HT 0.417000 1.0080 0 28053 WAT 4189 TIP3 OH2 OT -0.834000 15.9994 0 28054 WAT 4189 TIP3 H1 HT 0.417000 1.0080 0 28055 WAT 4189 TIP3 H2 HT 0.417000 1.0080 0 28056 WAT 4190 TIP3 OH2 OT -0.834000 15.9994 0 28057 WAT 4190 TIP3 H1 HT 0.417000 1.0080 0 28058 WAT 4190 TIP3 H2 HT 0.417000 1.0080 0 28059 WAT 4191 TIP3 OH2 OT -0.834000 15.9994 0 28060 WAT 4191 TIP3 H1 HT 0.417000 1.0080 0 28061 WAT 4191 TIP3 H2 HT 0.417000 1.0080 0 28062 WAT 4192 TIP3 OH2 OT -0.834000 15.9994 0 28063 WAT 4192 TIP3 H1 HT 0.417000 1.0080 0 28064 WAT 4192 TIP3 H2 HT 0.417000 1.0080 0 28065 WAT 4193 TIP3 OH2 OT -0.834000 15.9994 0 28066 WAT 4193 TIP3 H1 HT 0.417000 1.0080 0 28067 WAT 4193 TIP3 H2 HT 0.417000 1.0080 0 28068 WAT 4194 TIP3 OH2 OT -0.834000 15.9994 0 28069 WAT 4194 TIP3 H1 HT 0.417000 1.0080 0 28070 WAT 4194 TIP3 H2 HT 0.417000 1.0080 0 28071 WAT 4195 TIP3 OH2 OT -0.834000 15.9994 0 28072 WAT 4195 TIP3 H1 HT 0.417000 1.0080 0 28073 WAT 4195 TIP3 H2 HT 0.417000 1.0080 0 28074 WAT 4196 TIP3 OH2 OT -0.834000 15.9994 0 28075 WAT 4196 TIP3 H1 HT 0.417000 1.0080 0 28076 WAT 4196 TIP3 H2 HT 0.417000 1.0080 0 28077 WAT 4197 TIP3 OH2 OT -0.834000 15.9994 0 28078 WAT 4197 TIP3 H1 HT 0.417000 1.0080 0 28079 WAT 4197 TIP3 H2 HT 0.417000 1.0080 0 28080 WAT 4198 TIP3 OH2 OT -0.834000 15.9994 0 28081 WAT 4198 TIP3 H1 HT 0.417000 1.0080 0 28082 WAT 4198 TIP3 H2 HT 0.417000 1.0080 0 28083 WAT 4199 TIP3 OH2 OT -0.834000 15.9994 0 28084 WAT 4199 TIP3 H1 HT 0.417000 1.0080 0 28085 WAT 4199 TIP3 H2 HT 0.417000 1.0080 0 28086 WAT 4200 TIP3 OH2 OT -0.834000 15.9994 0 28087 WAT 4200 TIP3 H1 HT 0.417000 1.0080 0 28088 WAT 4200 TIP3 H2 HT 0.417000 1.0080 0 28089 WAT 4201 TIP3 OH2 OT -0.834000 15.9994 0 28090 WAT 4201 TIP3 H1 HT 0.417000 1.0080 0 28091 WAT 4201 TIP3 H2 HT 0.417000 1.0080 0 28092 WAT 4202 TIP3 OH2 OT -0.834000 15.9994 0 28093 WAT 4202 TIP3 H1 HT 0.417000 1.0080 0 28094 WAT 4202 TIP3 H2 HT 0.417000 1.0080 0 28095 WAT 4203 TIP3 OH2 OT -0.834000 15.9994 0 28096 WAT 4203 TIP3 H1 HT 0.417000 1.0080 0 28097 WAT 4203 TIP3 H2 HT 0.417000 1.0080 0 28098 WAT 4204 TIP3 OH2 OT -0.834000 15.9994 0 28099 WAT 4204 TIP3 H1 HT 0.417000 1.0080 0 28100 WAT 4204 TIP3 H2 HT 0.417000 1.0080 0 28101 WAT 4205 TIP3 OH2 OT -0.834000 15.9994 0 28102 WAT 4205 TIP3 H1 HT 0.417000 1.0080 0 28103 WAT 4205 TIP3 H2 HT 0.417000 1.0080 0 28104 WAT 4206 TIP3 OH2 OT -0.834000 15.9994 0 28105 WAT 4206 TIP3 H1 HT 0.417000 1.0080 0 28106 WAT 4206 TIP3 H2 HT 0.417000 1.0080 0 28107 WAT 4207 TIP3 OH2 OT -0.834000 15.9994 0 28108 WAT 4207 TIP3 H1 HT 0.417000 1.0080 0 28109 WAT 4207 TIP3 H2 HT 0.417000 1.0080 0 28110 WAT 4208 TIP3 OH2 OT -0.834000 15.9994 0 28111 WAT 4208 TIP3 H1 HT 0.417000 1.0080 0 28112 WAT 4208 TIP3 H2 HT 0.417000 1.0080 0 28113 WAT 4209 TIP3 OH2 OT -0.834000 15.9994 0 28114 WAT 4209 TIP3 H1 HT 0.417000 1.0080 0 28115 WAT 4209 TIP3 H2 HT 0.417000 1.0080 0 28116 WAT 4210 TIP3 OH2 OT -0.834000 15.9994 0 28117 WAT 4210 TIP3 H1 HT 0.417000 1.0080 0 28118 WAT 4210 TIP3 H2 HT 0.417000 1.0080 0 28119 WAT 4211 TIP3 OH2 OT -0.834000 15.9994 0 28120 WAT 4211 TIP3 H1 HT 0.417000 1.0080 0 28121 WAT 4211 TIP3 H2 HT 0.417000 1.0080 0 28122 WAT 4212 TIP3 OH2 OT -0.834000 15.9994 0 28123 WAT 4212 TIP3 H1 HT 0.417000 1.0080 0 28124 WAT 4212 TIP3 H2 HT 0.417000 1.0080 0 28125 WAT 4213 TIP3 OH2 OT -0.834000 15.9994 0 28126 WAT 4213 TIP3 H1 HT 0.417000 1.0080 0 28127 WAT 4213 TIP3 H2 HT 0.417000 1.0080 0 28128 WAT 4214 TIP3 OH2 OT -0.834000 15.9994 0 28129 WAT 4214 TIP3 H1 HT 0.417000 1.0080 0 28130 WAT 4214 TIP3 H2 HT 0.417000 1.0080 0 28131 WAT 4215 TIP3 OH2 OT -0.834000 15.9994 0 28132 WAT 4215 TIP3 H1 HT 0.417000 1.0080 0 28133 WAT 4215 TIP3 H2 HT 0.417000 1.0080 0 28134 WAT 4216 TIP3 OH2 OT -0.834000 15.9994 0 28135 WAT 4216 TIP3 H1 HT 0.417000 1.0080 0 28136 WAT 4216 TIP3 H2 HT 0.417000 1.0080 0 28137 WAT 4217 TIP3 OH2 OT -0.834000 15.9994 0 28138 WAT 4217 TIP3 H1 HT 0.417000 1.0080 0 28139 WAT 4217 TIP3 H2 HT 0.417000 1.0080 0 28140 WAT 4218 TIP3 OH2 OT -0.834000 15.9994 0 28141 WAT 4218 TIP3 H1 HT 0.417000 1.0080 0 28142 WAT 4218 TIP3 H2 HT 0.417000 1.0080 0 28143 WAT 4219 TIP3 OH2 OT -0.834000 15.9994 0 28144 WAT 4219 TIP3 H1 HT 0.417000 1.0080 0 28145 WAT 4219 TIP3 H2 HT 0.417000 1.0080 0 28146 WAT 4220 TIP3 OH2 OT -0.834000 15.9994 0 28147 WAT 4220 TIP3 H1 HT 0.417000 1.0080 0 28148 WAT 4220 TIP3 H2 HT 0.417000 1.0080 0 28149 WAT 4221 TIP3 OH2 OT -0.834000 15.9994 0 28150 WAT 4221 TIP3 H1 HT 0.417000 1.0080 0 28151 WAT 4221 TIP3 H2 HT 0.417000 1.0080 0 28152 WAT 4222 TIP3 OH2 OT -0.834000 15.9994 0 28153 WAT 4222 TIP3 H1 HT 0.417000 1.0080 0 28154 WAT 4222 TIP3 H2 HT 0.417000 1.0080 0 28155 WAT 4223 TIP3 OH2 OT -0.834000 15.9994 0 28156 WAT 4223 TIP3 H1 HT 0.417000 1.0080 0 28157 WAT 4223 TIP3 H2 HT 0.417000 1.0080 0 28158 WAT 4224 TIP3 OH2 OT -0.834000 15.9994 0 28159 WAT 4224 TIP3 H1 HT 0.417000 1.0080 0 28160 WAT 4224 TIP3 H2 HT 0.417000 1.0080 0 28161 WAT 4225 TIP3 OH2 OT -0.834000 15.9994 0 28162 WAT 4225 TIP3 H1 HT 0.417000 1.0080 0 28163 WAT 4225 TIP3 H2 HT 0.417000 1.0080 0 28164 WAT 4226 TIP3 OH2 OT -0.834000 15.9994 0 28165 WAT 4226 TIP3 H1 HT 0.417000 1.0080 0 28166 WAT 4226 TIP3 H2 HT 0.417000 1.0080 0 28167 WAT 4227 TIP3 OH2 OT -0.834000 15.9994 0 28168 WAT 4227 TIP3 H1 HT 0.417000 1.0080 0 28169 WAT 4227 TIP3 H2 HT 0.417000 1.0080 0 28170 WAT 4228 TIP3 OH2 OT -0.834000 15.9994 0 28171 WAT 4228 TIP3 H1 HT 0.417000 1.0080 0 28172 WAT 4228 TIP3 H2 HT 0.417000 1.0080 0 28173 WAT 4229 TIP3 OH2 OT -0.834000 15.9994 0 28174 WAT 4229 TIP3 H1 HT 0.417000 1.0080 0 28175 WAT 4229 TIP3 H2 HT 0.417000 1.0080 0 28176 WAT 4230 TIP3 OH2 OT -0.834000 15.9994 0 28177 WAT 4230 TIP3 H1 HT 0.417000 1.0080 0 28178 WAT 4230 TIP3 H2 HT 0.417000 1.0080 0 28179 WAT 4231 TIP3 OH2 OT -0.834000 15.9994 0 28180 WAT 4231 TIP3 H1 HT 0.417000 1.0080 0 28181 WAT 4231 TIP3 H2 HT 0.417000 1.0080 0 28182 WAT 4232 TIP3 OH2 OT -0.834000 15.9994 0 28183 WAT 4232 TIP3 H1 HT 0.417000 1.0080 0 28184 WAT 4232 TIP3 H2 HT 0.417000 1.0080 0 28185 WAT 4233 TIP3 OH2 OT -0.834000 15.9994 0 28186 WAT 4233 TIP3 H1 HT 0.417000 1.0080 0 28187 WAT 4233 TIP3 H2 HT 0.417000 1.0080 0 28188 WAT 4234 TIP3 OH2 OT -0.834000 15.9994 0 28189 WAT 4234 TIP3 H1 HT 0.417000 1.0080 0 28190 WAT 4234 TIP3 H2 HT 0.417000 1.0080 0 28191 WAT 4235 TIP3 OH2 OT -0.834000 15.9994 0 28192 WAT 4235 TIP3 H1 HT 0.417000 1.0080 0 28193 WAT 4235 TIP3 H2 HT 0.417000 1.0080 0 28194 WAT 4236 TIP3 OH2 OT -0.834000 15.9994 0 28195 WAT 4236 TIP3 H1 HT 0.417000 1.0080 0 28196 WAT 4236 TIP3 H2 HT 0.417000 1.0080 0 28197 WAT 4237 TIP3 OH2 OT -0.834000 15.9994 0 28198 WAT 4237 TIP3 H1 HT 0.417000 1.0080 0 28199 WAT 4237 TIP3 H2 HT 0.417000 1.0080 0 28200 WAT 4238 TIP3 OH2 OT -0.834000 15.9994 0 28201 WAT 4238 TIP3 H1 HT 0.417000 1.0080 0 28202 WAT 4238 TIP3 H2 HT 0.417000 1.0080 0 28203 WAT 4239 TIP3 OH2 OT -0.834000 15.9994 0 28204 WAT 4239 TIP3 H1 HT 0.417000 1.0080 0 28205 WAT 4239 TIP3 H2 HT 0.417000 1.0080 0 28206 WAT 4240 TIP3 OH2 OT -0.834000 15.9994 0 28207 WAT 4240 TIP3 H1 HT 0.417000 1.0080 0 28208 WAT 4240 TIP3 H2 HT 0.417000 1.0080 0 28209 WAT 4241 TIP3 OH2 OT -0.834000 15.9994 0 28210 WAT 4241 TIP3 H1 HT 0.417000 1.0080 0 28211 WAT 4241 TIP3 H2 HT 0.417000 1.0080 0 28212 WAT 4242 TIP3 OH2 OT -0.834000 15.9994 0 28213 WAT 4242 TIP3 H1 HT 0.417000 1.0080 0 28214 WAT 4242 TIP3 H2 HT 0.417000 1.0080 0 28215 WAT 4243 TIP3 OH2 OT -0.834000 15.9994 0 28216 WAT 4243 TIP3 H1 HT 0.417000 1.0080 0 28217 WAT 4243 TIP3 H2 HT 0.417000 1.0080 0 28218 WAT 4244 TIP3 OH2 OT -0.834000 15.9994 0 28219 WAT 4244 TIP3 H1 HT 0.417000 1.0080 0 28220 WAT 4244 TIP3 H2 HT 0.417000 1.0080 0 28221 WAT 4245 TIP3 OH2 OT -0.834000 15.9994 0 28222 WAT 4245 TIP3 H1 HT 0.417000 1.0080 0 28223 WAT 4245 TIP3 H2 HT 0.417000 1.0080 0 28224 WAT 4246 TIP3 OH2 OT -0.834000 15.9994 0 28225 WAT 4246 TIP3 H1 HT 0.417000 1.0080 0 28226 WAT 4246 TIP3 H2 HT 0.417000 1.0080 0 28227 WAT 4247 TIP3 OH2 OT -0.834000 15.9994 0 28228 WAT 4247 TIP3 H1 HT 0.417000 1.0080 0 28229 WAT 4247 TIP3 H2 HT 0.417000 1.0080 0 28230 WAT 4248 TIP3 OH2 OT -0.834000 15.9994 0 28231 WAT 4248 TIP3 H1 HT 0.417000 1.0080 0 28232 WAT 4248 TIP3 H2 HT 0.417000 1.0080 0 28233 WAT 4249 TIP3 OH2 OT -0.834000 15.9994 0 28234 WAT 4249 TIP3 H1 HT 0.417000 1.0080 0 28235 WAT 4249 TIP3 H2 HT 0.417000 1.0080 0 28236 WAT 4250 TIP3 OH2 OT -0.834000 15.9994 0 28237 WAT 4250 TIP3 H1 HT 0.417000 1.0080 0 28238 WAT 4250 TIP3 H2 HT 0.417000 1.0080 0 28239 WAT 4251 TIP3 OH2 OT -0.834000 15.9994 0 28240 WAT 4251 TIP3 H1 HT 0.417000 1.0080 0 28241 WAT 4251 TIP3 H2 HT 0.417000 1.0080 0 28242 WAT 4252 TIP3 OH2 OT -0.834000 15.9994 0 28243 WAT 4252 TIP3 H1 HT 0.417000 1.0080 0 28244 WAT 4252 TIP3 H2 HT 0.417000 1.0080 0 28245 WAT 4253 TIP3 OH2 OT -0.834000 15.9994 0 28246 WAT 4253 TIP3 H1 HT 0.417000 1.0080 0 28247 WAT 4253 TIP3 H2 HT 0.417000 1.0080 0 28248 WAT 4254 TIP3 OH2 OT -0.834000 15.9994 0 28249 WAT 4254 TIP3 H1 HT 0.417000 1.0080 0 28250 WAT 4254 TIP3 H2 HT 0.417000 1.0080 0 28251 WAT 4255 TIP3 OH2 OT -0.834000 15.9994 0 28252 WAT 4255 TIP3 H1 HT 0.417000 1.0080 0 28253 WAT 4255 TIP3 H2 HT 0.417000 1.0080 0 28254 WAT 4256 TIP3 OH2 OT -0.834000 15.9994 0 28255 WAT 4256 TIP3 H1 HT 0.417000 1.0080 0 28256 WAT 4256 TIP3 H2 HT 0.417000 1.0080 0 28257 WAT 4257 TIP3 OH2 OT -0.834000 15.9994 0 28258 WAT 4257 TIP3 H1 HT 0.417000 1.0080 0 28259 WAT 4257 TIP3 H2 HT 0.417000 1.0080 0 28260 WAT 4258 TIP3 OH2 OT -0.834000 15.9994 0 28261 WAT 4258 TIP3 H1 HT 0.417000 1.0080 0 28262 WAT 4258 TIP3 H2 HT 0.417000 1.0080 0 28263 WAT 4259 TIP3 OH2 OT -0.834000 15.9994 0 28264 WAT 4259 TIP3 H1 HT 0.417000 1.0080 0 28265 WAT 4259 TIP3 H2 HT 0.417000 1.0080 0 28266 WAT 4260 TIP3 OH2 OT -0.834000 15.9994 0 28267 WAT 4260 TIP3 H1 HT 0.417000 1.0080 0 28268 WAT 4260 TIP3 H2 HT 0.417000 1.0080 0 28269 WAT 4261 TIP3 OH2 OT -0.834000 15.9994 0 28270 WAT 4261 TIP3 H1 HT 0.417000 1.0080 0 28271 WAT 4261 TIP3 H2 HT 0.417000 1.0080 0 28272 WAT 4262 TIP3 OH2 OT -0.834000 15.9994 0 28273 WAT 4262 TIP3 H1 HT 0.417000 1.0080 0 28274 WAT 4262 TIP3 H2 HT 0.417000 1.0080 0 28275 WAT 4263 TIP3 OH2 OT -0.834000 15.9994 0 28276 WAT 4263 TIP3 H1 HT 0.417000 1.0080 0 28277 WAT 4263 TIP3 H2 HT 0.417000 1.0080 0 28278 WAT 4264 TIP3 OH2 OT -0.834000 15.9994 0 28279 WAT 4264 TIP3 H1 HT 0.417000 1.0080 0 28280 WAT 4264 TIP3 H2 HT 0.417000 1.0080 0 28281 WAT 4265 TIP3 OH2 OT -0.834000 15.9994 0 28282 WAT 4265 TIP3 H1 HT 0.417000 1.0080 0 28283 WAT 4265 TIP3 H2 HT 0.417000 1.0080 0 28284 WAT 4266 TIP3 OH2 OT -0.834000 15.9994 0 28285 WAT 4266 TIP3 H1 HT 0.417000 1.0080 0 28286 WAT 4266 TIP3 H2 HT 0.417000 1.0080 0 28287 WAT 4267 TIP3 OH2 OT -0.834000 15.9994 0 28288 WAT 4267 TIP3 H1 HT 0.417000 1.0080 0 28289 WAT 4267 TIP3 H2 HT 0.417000 1.0080 0 28290 WAT 4268 TIP3 OH2 OT -0.834000 15.9994 0 28291 WAT 4268 TIP3 H1 HT 0.417000 1.0080 0 28292 WAT 4268 TIP3 H2 HT 0.417000 1.0080 0 28293 WAT 4269 TIP3 OH2 OT -0.834000 15.9994 0 28294 WAT 4269 TIP3 H1 HT 0.417000 1.0080 0 28295 WAT 4269 TIP3 H2 HT 0.417000 1.0080 0 28296 WAT 4270 TIP3 OH2 OT -0.834000 15.9994 0 28297 WAT 4270 TIP3 H1 HT 0.417000 1.0080 0 28298 WAT 4270 TIP3 H2 HT 0.417000 1.0080 0 28299 WAT 4271 TIP3 OH2 OT -0.834000 15.9994 0 28300 WAT 4271 TIP3 H1 HT 0.417000 1.0080 0 28301 WAT 4271 TIP3 H2 HT 0.417000 1.0080 0 28302 WAT 4272 TIP3 OH2 OT -0.834000 15.9994 0 28303 WAT 4272 TIP3 H1 HT 0.417000 1.0080 0 28304 WAT 4272 TIP3 H2 HT 0.417000 1.0080 0 28305 WAT 4273 TIP3 OH2 OT -0.834000 15.9994 0 28306 WAT 4273 TIP3 H1 HT 0.417000 1.0080 0 28307 WAT 4273 TIP3 H2 HT 0.417000 1.0080 0 28308 WAT 4274 TIP3 OH2 OT -0.834000 15.9994 0 28309 WAT 4274 TIP3 H1 HT 0.417000 1.0080 0 28310 WAT 4274 TIP3 H2 HT 0.417000 1.0080 0 28311 WAT 4275 TIP3 OH2 OT -0.834000 15.9994 0 28312 WAT 4275 TIP3 H1 HT 0.417000 1.0080 0 28313 WAT 4275 TIP3 H2 HT 0.417000 1.0080 0 28314 WAT 4276 TIP3 OH2 OT -0.834000 15.9994 0 28315 WAT 4276 TIP3 H1 HT 0.417000 1.0080 0 28316 WAT 4276 TIP3 H2 HT 0.417000 1.0080 0 28317 WAT 4277 TIP3 OH2 OT -0.834000 15.9994 0 28318 WAT 4277 TIP3 H1 HT 0.417000 1.0080 0 28319 WAT 4277 TIP3 H2 HT 0.417000 1.0080 0 28320 WAT 4278 TIP3 OH2 OT -0.834000 15.9994 0 28321 WAT 4278 TIP3 H1 HT 0.417000 1.0080 0 28322 WAT 4278 TIP3 H2 HT 0.417000 1.0080 0 28323 WAT 4279 TIP3 OH2 OT -0.834000 15.9994 0 28324 WAT 4279 TIP3 H1 HT 0.417000 1.0080 0 28325 WAT 4279 TIP3 H2 HT 0.417000 1.0080 0 28326 WAT 4280 TIP3 OH2 OT -0.834000 15.9994 0 28327 WAT 4280 TIP3 H1 HT 0.417000 1.0080 0 28328 WAT 4280 TIP3 H2 HT 0.417000 1.0080 0 28329 WAT 4281 TIP3 OH2 OT -0.834000 15.9994 0 28330 WAT 4281 TIP3 H1 HT 0.417000 1.0080 0 28331 WAT 4281 TIP3 H2 HT 0.417000 1.0080 0 28332 WAT 4282 TIP3 OH2 OT -0.834000 15.9994 0 28333 WAT 4282 TIP3 H1 HT 0.417000 1.0080 0 28334 WAT 4282 TIP3 H2 HT 0.417000 1.0080 0 28335 WAT 4283 TIP3 OH2 OT -0.834000 15.9994 0 28336 WAT 4283 TIP3 H1 HT 0.417000 1.0080 0 28337 WAT 4283 TIP3 H2 HT 0.417000 1.0080 0 28338 WAT 4284 TIP3 OH2 OT -0.834000 15.9994 0 28339 WAT 4284 TIP3 H1 HT 0.417000 1.0080 0 28340 WAT 4284 TIP3 H2 HT 0.417000 1.0080 0 28341 WAT 4285 TIP3 OH2 OT -0.834000 15.9994 0 28342 WAT 4285 TIP3 H1 HT 0.417000 1.0080 0 28343 WAT 4285 TIP3 H2 HT 0.417000 1.0080 0 28344 WAT 4286 TIP3 OH2 OT -0.834000 15.9994 0 28345 WAT 4286 TIP3 H1 HT 0.417000 1.0080 0 28346 WAT 4286 TIP3 H2 HT 0.417000 1.0080 0 28347 WAT 4287 TIP3 OH2 OT -0.834000 15.9994 0 28348 WAT 4287 TIP3 H1 HT 0.417000 1.0080 0 28349 WAT 4287 TIP3 H2 HT 0.417000 1.0080 0 28350 WAT 4288 TIP3 OH2 OT -0.834000 15.9994 0 28351 WAT 4288 TIP3 H1 HT 0.417000 1.0080 0 28352 WAT 4288 TIP3 H2 HT 0.417000 1.0080 0 28353 WAT 4289 TIP3 OH2 OT -0.834000 15.9994 0 28354 WAT 4289 TIP3 H1 HT 0.417000 1.0080 0 28355 WAT 4289 TIP3 H2 HT 0.417000 1.0080 0 28356 WAT 4290 TIP3 OH2 OT -0.834000 15.9994 0 28357 WAT 4290 TIP3 H1 HT 0.417000 1.0080 0 28358 WAT 4290 TIP3 H2 HT 0.417000 1.0080 0 28359 WAT 4291 TIP3 OH2 OT -0.834000 15.9994 0 28360 WAT 4291 TIP3 H1 HT 0.417000 1.0080 0 28361 WAT 4291 TIP3 H2 HT 0.417000 1.0080 0 28362 WAT 4292 TIP3 OH2 OT -0.834000 15.9994 0 28363 WAT 4292 TIP3 H1 HT 0.417000 1.0080 0 28364 WAT 4292 TIP3 H2 HT 0.417000 1.0080 0 28365 WAT 4293 TIP3 OH2 OT -0.834000 15.9994 0 28366 WAT 4293 TIP3 H1 HT 0.417000 1.0080 0 28367 WAT 4293 TIP3 H2 HT 0.417000 1.0080 0 28368 WAT 4294 TIP3 OH2 OT -0.834000 15.9994 0 28369 WAT 4294 TIP3 H1 HT 0.417000 1.0080 0 28370 WAT 4294 TIP3 H2 HT 0.417000 1.0080 0 28371 WAT 4295 TIP3 OH2 OT -0.834000 15.9994 0 28372 WAT 4295 TIP3 H1 HT 0.417000 1.0080 0 28373 WAT 4295 TIP3 H2 HT 0.417000 1.0080 0 28374 WAT 4296 TIP3 OH2 OT -0.834000 15.9994 0 28375 WAT 4296 TIP3 H1 HT 0.417000 1.0080 0 28376 WAT 4296 TIP3 H2 HT 0.417000 1.0080 0 28377 WAT 4297 TIP3 OH2 OT -0.834000 15.9994 0 28378 WAT 4297 TIP3 H1 HT 0.417000 1.0080 0 28379 WAT 4297 TIP3 H2 HT 0.417000 1.0080 0 28380 WAT 4298 TIP3 OH2 OT -0.834000 15.9994 0 28381 WAT 4298 TIP3 H1 HT 0.417000 1.0080 0 28382 WAT 4298 TIP3 H2 HT 0.417000 1.0080 0 28383 WAT 4299 TIP3 OH2 OT -0.834000 15.9994 0 28384 WAT 4299 TIP3 H1 HT 0.417000 1.0080 0 28385 WAT 4299 TIP3 H2 HT 0.417000 1.0080 0 28386 WAT 4300 TIP3 OH2 OT -0.834000 15.9994 0 28387 WAT 4300 TIP3 H1 HT 0.417000 1.0080 0 28388 WAT 4300 TIP3 H2 HT 0.417000 1.0080 0 28389 WAT 4301 TIP3 OH2 OT -0.834000 15.9994 0 28390 WAT 4301 TIP3 H1 HT 0.417000 1.0080 0 28391 WAT 4301 TIP3 H2 HT 0.417000 1.0080 0 28392 WAT 4302 TIP3 OH2 OT -0.834000 15.9994 0 28393 WAT 4302 TIP3 H1 HT 0.417000 1.0080 0 28394 WAT 4302 TIP3 H2 HT 0.417000 1.0080 0 28395 WAT 4303 TIP3 OH2 OT -0.834000 15.9994 0 28396 WAT 4303 TIP3 H1 HT 0.417000 1.0080 0 28397 WAT 4303 TIP3 H2 HT 0.417000 1.0080 0 28398 WAT 4304 TIP3 OH2 OT -0.834000 15.9994 0 28399 WAT 4304 TIP3 H1 HT 0.417000 1.0080 0 28400 WAT 4304 TIP3 H2 HT 0.417000 1.0080 0 28401 WAT 4305 TIP3 OH2 OT -0.834000 15.9994 0 28402 WAT 4305 TIP3 H1 HT 0.417000 1.0080 0 28403 WAT 4305 TIP3 H2 HT 0.417000 1.0080 0 28404 WAT 4306 TIP3 OH2 OT -0.834000 15.9994 0 28405 WAT 4306 TIP3 H1 HT 0.417000 1.0080 0 28406 WAT 4306 TIP3 H2 HT 0.417000 1.0080 0 28407 WAT 4307 TIP3 OH2 OT -0.834000 15.9994 0 28408 WAT 4307 TIP3 H1 HT 0.417000 1.0080 0 28409 WAT 4307 TIP3 H2 HT 0.417000 1.0080 0 28410 WAT 4308 TIP3 OH2 OT -0.834000 15.9994 0 28411 WAT 4308 TIP3 H1 HT 0.417000 1.0080 0 28412 WAT 4308 TIP3 H2 HT 0.417000 1.0080 0 28413 WAT 4309 TIP3 OH2 OT -0.834000 15.9994 0 28414 WAT 4309 TIP3 H1 HT 0.417000 1.0080 0 28415 WAT 4309 TIP3 H2 HT 0.417000 1.0080 0 28416 WAT 4310 TIP3 OH2 OT -0.834000 15.9994 0 28417 WAT 4310 TIP3 H1 HT 0.417000 1.0080 0 28418 WAT 4310 TIP3 H2 HT 0.417000 1.0080 0 28419 WAT 4311 TIP3 OH2 OT -0.834000 15.9994 0 28420 WAT 4311 TIP3 H1 HT 0.417000 1.0080 0 28421 WAT 4311 TIP3 H2 HT 0.417000 1.0080 0 28422 WAT 4312 TIP3 OH2 OT -0.834000 15.9994 0 28423 WAT 4312 TIP3 H1 HT 0.417000 1.0080 0 28424 WAT 4312 TIP3 H2 HT 0.417000 1.0080 0 28425 WAT 4313 TIP3 OH2 OT -0.834000 15.9994 0 28426 WAT 4313 TIP3 H1 HT 0.417000 1.0080 0 28427 WAT 4313 TIP3 H2 HT 0.417000 1.0080 0 28428 WAT 4314 TIP3 OH2 OT -0.834000 15.9994 0 28429 WAT 4314 TIP3 H1 HT 0.417000 1.0080 0 28430 WAT 4314 TIP3 H2 HT 0.417000 1.0080 0 28431 WAT 4315 TIP3 OH2 OT -0.834000 15.9994 0 28432 WAT 4315 TIP3 H1 HT 0.417000 1.0080 0 28433 WAT 4315 TIP3 H2 HT 0.417000 1.0080 0 28434 WAT 4316 TIP3 OH2 OT -0.834000 15.9994 0 28435 WAT 4316 TIP3 H1 HT 0.417000 1.0080 0 28436 WAT 4316 TIP3 H2 HT 0.417000 1.0080 0 28437 WAT 4317 TIP3 OH2 OT -0.834000 15.9994 0 28438 WAT 4317 TIP3 H1 HT 0.417000 1.0080 0 28439 WAT 4317 TIP3 H2 HT 0.417000 1.0080 0 28440 WAT 4318 TIP3 OH2 OT -0.834000 15.9994 0 28441 WAT 4318 TIP3 H1 HT 0.417000 1.0080 0 28442 WAT 4318 TIP3 H2 HT 0.417000 1.0080 0 28443 WAT 4319 TIP3 OH2 OT -0.834000 15.9994 0 28444 WAT 4319 TIP3 H1 HT 0.417000 1.0080 0 28445 WAT 4319 TIP3 H2 HT 0.417000 1.0080 0 28446 WAT 4320 TIP3 OH2 OT -0.834000 15.9994 0 28447 WAT 4320 TIP3 H1 HT 0.417000 1.0080 0 28448 WAT 4320 TIP3 H2 HT 0.417000 1.0080 0 28449 WAT 4321 TIP3 OH2 OT -0.834000 15.9994 0 28450 WAT 4321 TIP3 H1 HT 0.417000 1.0080 0 28451 WAT 4321 TIP3 H2 HT 0.417000 1.0080 0 28452 WAT 4322 TIP3 OH2 OT -0.834000 15.9994 0 28453 WAT 4322 TIP3 H1 HT 0.417000 1.0080 0 28454 WAT 4322 TIP3 H2 HT 0.417000 1.0080 0 28455 WAT 4323 TIP3 OH2 OT -0.834000 15.9994 0 28456 WAT 4323 TIP3 H1 HT 0.417000 1.0080 0 28457 WAT 4323 TIP3 H2 HT 0.417000 1.0080 0 28458 WAT 4324 TIP3 OH2 OT -0.834000 15.9994 0 28459 WAT 4324 TIP3 H1 HT 0.417000 1.0080 0 28460 WAT 4324 TIP3 H2 HT 0.417000 1.0080 0 28461 WAT 4325 TIP3 OH2 OT -0.834000 15.9994 0 28462 WAT 4325 TIP3 H1 HT 0.417000 1.0080 0 28463 WAT 4325 TIP3 H2 HT 0.417000 1.0080 0 28335 !NBOND: bonds 1 2 1 3 1 4 1 5 5 6 5 7 5 8 8 9 8 10 8 15 11 14 11 12 11 13 15 11 16 17 16 18 16 19 16 14 19 20 19 27 19 21 21 22 22 24 22 23 24 25 24 26 24 36 27 28 27 29 27 30 30 31 31 33 31 32 33 34 33 35 33 79 36 37 36 38 36 39 39 40 39 41 39 42 42 43 42 44 42 45 45 46 45 47 45 48 48 49 48 50 48 51 51 52 51 53 51 54 54 55 54 56 54 57 57 58 57 59 57 60 60 61 60 62 60 63 63 64 63 65 63 66 66 67 66 68 66 69 69 70 69 71 69 72 72 73 72 74 72 75 75 76 75 77 75 78 79 80 79 81 79 82 82 83 82 84 82 85 85 86 85 87 85 88 88 89 88 90 88 91 91 92 91 93 91 94 94 95 94 96 94 97 97 98 97 99 97 100 100 101 100 102 100 103 103 104 103 105 103 106 106 107 106 108 106 109 109 110 109 111 109 112 112 113 112 114 112 115 115 116 115 117 115 118 118 119 118 120 118 121 122 123 122 124 122 125 122 126 126 127 126 128 126 129 129 130 129 131 129 136 132 135 132 133 132 134 136 132 137 138 137 139 137 140 137 135 140 141 140 148 140 142 142 143 143 145 143 144 145 146 145 147 145 157 148 149 148 150 148 151 151 152 152 154 152 153 154 155 154 156 154 200 157 158 157 159 157 160 160 161 160 162 160 163 163 164 163 165 163 166 166 167 166 168 166 169 169 170 169 171 169 172 172 173 172 174 172 175 175 176 175 177 175 178 178 179 178 180 178 181 181 182 181 183 181 184 184 185 184 186 184 187 187 188 187 189 187 190 190 191 190 192 190 193 193 194 193 195 193 196 196 197 196 198 196 199 200 201 200 202 200 203 203 204 203 205 203 206 206 207 206 208 206 209 209 210 209 211 209 212 212 213 212 214 212 215 215 216 215 217 215 218 218 219 218 220 218 221 221 222 221 223 221 224 224 225 224 226 224 227 227 228 227 229 227 230 230 231 230 232 230 233 233 234 233 235 233 236 236 237 236 238 236 239 239 240 239 241 239 242 243 244 243 245 243 246 243 247 247 248 247 249 247 250 250 251 250 252 250 257 253 256 253 254 253 255 257 253 258 259 258 260 258 261 258 256 261 262 261 269 261 263 263 264 264 266 264 265 266 267 266 268 266 278 269 270 269 271 269 272 272 273 273 275 273 274 275 276 275 277 275 321 278 279 278 280 278 281 281 282 281 283 281 284 284 285 284 286 284 287 287 288 287 289 287 290 290 291 290 292 290 293 293 294 293 295 293 296 296 297 296 298 296 299 299 300 299 301 299 302 302 303 302 304 302 305 305 306 305 307 305 308 308 309 308 310 308 311 311 312 311 313 311 314 314 315 314 316 314 317 317 318 317 319 317 320 321 322 321 323 321 324 324 325 324 326 324 327 327 328 327 329 327 330 330 331 330 332 330 333 333 334 333 335 333 336 336 337 336 338 336 339 339 340 339 341 339 342 342 343 342 344 342 345 345 346 345 347 345 348 348 349 348 350 348 351 351 352 351 353 351 354 354 355 354 356 354 357 357 358 357 359 357 360 360 361 360 362 360 363 364 365 364 366 364 367 364 368 368 369 368 370 368 371 371 372 371 373 371 378 374 377 374 375 374 376 378 374 379 380 379 381 379 382 379 377 382 383 382 390 382 384 384 385 385 387 385 386 387 388 387 389 387 399 390 391 390 392 390 393 393 394 394 396 394 395 396 397 396 398 396 442 399 400 399 401 399 402 402 403 402 404 402 405 405 406 405 407 405 408 408 409 408 410 408 411 411 412 411 413 411 414 414 415 414 416 414 417 417 418 417 419 417 420 420 421 420 422 420 423 423 424 423 425 423 426 426 427 426 428 426 429 429 430 429 431 429 432 432 433 432 434 432 435 435 436 435 437 435 438 438 439 438 440 438 441 442 443 442 444 442 445 445 446 445 447 445 448 448 449 448 450 448 451 451 452 451 453 451 454 454 455 454 456 454 457 457 458 457 459 457 460 460 461 460 462 460 463 463 464 463 465 463 466 466 467 466 468 466 469 469 470 469 471 469 472 472 473 472 474 472 475 475 476 475 477 475 478 478 479 478 480 478 481 481 482 481 483 481 484 485 486 485 487 485 488 485 489 489 490 489 491 489 492 492 493 492 494 492 499 495 498 495 496 495 497 499 495 500 501 500 502 500 503 500 498 503 504 503 511 503 505 505 506 506 508 506 507 508 509 508 510 508 520 511 512 511 513 511 514 514 515 515 517 515 516 517 518 517 519 517 563 520 521 520 522 520 523 523 524 523 525 523 526 526 527 526 528 526 529 529 530 529 531 529 532 532 533 532 534 532 535 535 536 535 537 535 538 538 539 538 540 538 541 541 542 541 543 541 544 544 545 544 546 544 547 547 548 547 549 547 550 550 551 550 552 550 553 553 554 553 555 553 556 556 557 556 558 556 559 559 560 559 561 559 562 563 564 563 565 563 566 566 567 566 568 566 569 569 570 569 571 569 572 572 573 572 574 572 575 575 576 575 577 575 578 578 579 578 580 578 581 581 582 581 583 581 584 584 585 584 586 584 587 587 588 587 589 587 590 590 591 590 592 590 593 593 594 593 595 593 596 596 597 596 598 596 599 599 600 599 601 599 602 602 603 602 604 602 605 606 607 606 608 606 609 606 610 610 611 610 612 610 613 613 614 613 615 613 620 616 619 616 617 616 618 620 616 621 622 621 623 621 624 621 619 624 625 624 632 624 626 626 627 627 629 627 628 629 630 629 631 629 641 632 633 632 634 632 635 635 636 636 638 636 637 638 639 638 640 638 684 641 642 641 643 641 644 644 645 644 646 644 647 647 648 647 649 647 650 650 651 650 652 650 653 653 654 653 655 653 656 656 657 656 658 656 659 659 660 659 661 659 662 662 663 662 664 662 665 665 666 665 667 665 668 668 669 668 670 668 671 671 672 671 673 671 674 674 675 674 676 674 677 677 678 677 679 677 680 680 681 680 682 680 683 684 685 684 686 684 687 687 688 687 689 687 690 690 691 690 692 690 693 693 694 693 695 693 696 696 697 696 698 696 699 699 700 699 701 699 702 702 703 702 704 702 705 705 706 705 707 705 708 708 709 708 710 708 711 711 712 711 713 711 714 714 715 714 716 714 717 717 718 717 719 717 720 720 721 720 722 720 723 723 724 723 725 723 726 727 728 727 729 727 730 727 731 731 732 731 733 731 734 734 735 734 736 734 741 737 740 737 738 737 739 741 737 742 743 742 744 742 745 742 740 745 746 745 753 745 747 747 748 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