📄 dna1.mol
字号:
0 255 256 1.6000 1125.00 .0000 .0000 0 256 257 1.4800 2417.00 .0000 .0000 0 256 258 1.4800 2417.00 .0000 .0000 0 256 259 1.6000 1125.00 .0000 .0000 0 259 260 1.4300 1424.00 .0000 .0000 0 260 261 1.1110 1294.00 .0000 .0000 0 260 262 1.1110 1294.00 .0000 .0000 0 260 271 1.5160 932.00 .0000 .0000 0 263 264 1.4100 1242.00 .0000 .0000 0 263 271 1.4450 1242.00 .0000 .0000 0 264 265 1.1110 1294.00 .0000 .0000 0 264 266 1.5270 932.00 .0000 .0000 0 264 286 1.4800 1256.00 .0000 .0000 0 266 267 1.1110 1294.00 .0000 .0000 0 266 268 1.1110 1294.00 .0000 .0000 0 266 269 1.5160 932.00 .0000 .0000 0 269 270 1.1110 1294.00 .0000 .0000 0 269 271 1.5160 932.00 .0000 .0000 0 269 287 1.4300 1424.00 .0000 .0000 0 271 272 1.1110 1294.00 .0000 .0000 0 273 274 1.3100 1298.00 .0000 .0000 0 273 279 1.3400 1340.00 .0000 .0000 0 274 275 1.0900 1591.00 .0000 .0000 0 274 276 1.3100 1298.00 .0000 .0000 0 276 277 1.3360 1465.00 .0000 .0000 0 277 278 1.3700 1340.00 .0000 .0000 0 277 286 1.4080 1264.00 .0000 .0000 0 278 279 1.3600 1264.00 .0000 .0000 0 278 283 1.3600 1465.00 .0000 .0000 0 279 280 1.3650 1675.00 .0000 .0000 0 280 281 1.0000 2043.00 .0000 .0000 0 280 282 1.0000 2043.00 .0000 .0000 0 283 284 1.3080 1675.00 .0000 .0000 0 284 285 1.0900 1591.00 .0000 .0000 0 284 286 1.3650 1256.00 .0000 .0000 0 287 288 1.6000 1125.00 .0000 .0000 0 288 289 1.4800 2417.00 .0000 .0000 0 288 290 1.4800 2417.00 .0000 .0000 0 288 291 1.6000 1125.00 .0000 .0000 0 291 292 1.4300 1424.00 .0000 .0000 0 292 293 1.1110 1294.00 .0000 .0000 0 292 294 1.1110 1294.00 .0000 .0000 0 292 303 1.5160 932.00 .0000 .0000 0 295 296 1.4100 1242.00 .0000 .0000 0 295 303 1.4450 1242.00 .0000 .0000 0 296 297 1.1110 1294.00 .0000 .0000 0 296 298 1.5270 932.00 .0000 .0000 0 296 319 1.4800 1256.00 .0000 .0000 0 298 299 1.1110 1294.00 .0000 .0000 0 298 300 1.1110 1294.00 .0000 .0000 0 298 301 1.5160 932.00 .0000 .0000 0 301 302 1.1110 1294.00 .0000 .0000 0 301 303 1.5160 932.00 .0000 .0000 0 303 304 1.1110 1294.00 .0000 .0000 0 305 306 1.0100 1972.00 .0000 .0000 0 305 307 1.4000 1675.00 .0000 .0000 0 305 314 1.4100 1424.00 .0000 .0000 0 307 308 1.3650 1675.00 .0000 .0000 0 307 311 1.3400 1340.00 .0000 .0000 0 308 309 1.0000 2043.00 .0000 .0000 0 308 310 1.0000 2043.00 .0000 .0000 0 311 312 1.3360 1465.00 .0000 .0000 0 312 313 1.3700 1340.00 .0000 .0000 0 312 319 1.4080 1264.00 .0000 .0000 0 313 314 1.3600 1264.00 .0000 .0000 0 313 316 1.3600 1465.00 .0000 .0000 0 314 315 1.2350 2596.00 .0000 .0000 0 316 317 1.3080 1675.00 .0000 .0000 0 317 318 1.0900 1591.00 .0000 .0000 0 317 319 1.3650 1256.00 .0000 .0000# additional list of bonds to include the Urey-Bradley term 0 2 301 2.33 146.5000 .0000 .0000 0 2 6 2.33 146.5000 .0000 .0000 0 7 8 1.80 22.6000 .0000 .0000 0 7 17 2.18 94.0000 .0000 .0000 0 8 17 2.18 94.0000 .0000 .0000 0 11 12 2.18 94.0000 .0000 .0000 0 10 13 2.18 94.0000 .0000 .0000 0 10 14 2.18 94.0000 .0000 .0000 0 10 15 2.56 33.5000 .0000 .0000 0 13 15 2.18 94.0000 .0000 .0000 0 14 15 2.18 94.0000 .0000 .0000 0 12 16 2.18 94.0000 .0000 .0000 0 12 17 2.56 33.5000 .0000 .0000 0 16 17 2.18 94.0000 .0000 .0000 0 6 15 2.56 33.5000 .0000 .0000 0 6 18 2.18 94.0000 .0000 .0000 0 15 18 2.18 94.0000 .0000 .0000 0 15 34 2.33 146.5000 .0000 .0000 0 34 38 2.33 146.5000 .0000 .0000 0 39 40 1.80 22.6000 .0000 .0000 0 39 49 2.18 94.0000 .0000 .0000 0 40 49 2.18 94.0000 .0000 .0000 0 43 44 2.18 94.0000 .0000 .0000 0 42 45 2.18 94.0000 .0000 .0000 0 42 46 2.18 94.0000 .0000 .0000 0 42 47 2.56 33.5000 .0000 .0000 0 45 47 2.18 94.0000 .0000 .0000 0 46 47 2.18 94.0000 .0000 .0000 0 44 48 2.18 94.0000 .0000 .0000 0 44 49 2.56 33.5000 .0000 .0000 0 48 49 2.18 94.0000 .0000 .0000 0 38 47 2.56 33.5000 .0000 .0000 0 38 50 2.18 94.0000 .0000 .0000 0 47 50 2.18 94.0000 .0000 .0000 0 58 60 2.18 94.0000 .0000 .0000 0 58 61 2.18 94.0000 .0000 .0000 0 58 62 2.18 94.0000 .0000 .0000 0 60 61 1.80 22.6000 .0000 .0000 0 60 62 1.80 22.6000 .0000 .0000 0 61 62 1.80 22.6000 .0000 .0000 0 47 66 2.33 146.5000 .0000 .0000 0 66 70 2.33 146.5000 .0000 .0000 0 71 72 1.80 22.6000 .0000 .0000 0 71 81 2.18 94.0000 .0000 .0000 0 72 81 2.18 94.0000 .0000 .0000 0 75 76 2.18 94.0000 .0000 .0000 0 74 77 2.18 94.0000 .0000 .0000 0 74 78 2.18 94.0000 .0000 .0000 0 74 79 2.56 33.5000 .0000 .0000 0 77 79 2.18 94.0000 .0000 .0000 0 78 79 2.18 94.0000 .0000 .0000 0 76 80 2.18 94.0000 .0000 .0000 0 76 81 2.56 33.5000 .0000 .0000 0 80 81 2.18 94.0000 .0000 .0000 0 70 79 2.56 33.5000 .0000 .0000 0 70 82 2.18 94.0000 .0000 .0000 0 79 82 2.18 94.0000 .0000 .0000 0 83 86 2.30 84.0000 .0000 .0000 0 79 99 2.33 146.5000 .0000 .0000 0 99 103 2.33 146.5000 .0000 .0000 0 104 105 1.80 22.6000 .0000 .0000 0 104 114 2.18 94.0000 .0000 .0000 0 105 114 2.18 94.0000 .0000 .0000 0 108 109 2.18 94.0000 .0000 .0000 0 107 110 2.18 94.0000 .0000 .0000 0 107 111 2.18 94.0000 .0000 .0000 0 107 112 2.56 33.5000 .0000 .0000 0 110 112 2.18 94.0000 .0000 .0000 0 111 112 2.18 94.0000 .0000 .0000 0 109 113 2.18 94.0000 .0000 .0000 0 109 114 2.56 33.5000 .0000 .0000 0 113 114 2.18 94.0000 .0000 .0000 0 103 112 2.56 33.5000 .0000 .0000 0 103 115 2.18 94.0000 .0000 .0000 0 112 115 2.18 94.0000 .0000 .0000 0 112 129 2.33 146.5000 .0000 .0000 0 129 133 2.33 146.5000 .0000 .0000 0 134 135 1.80 22.6000 .0000 .0000 0 134 144 2.18 94.0000 .0000 .0000 0 135 144 2.18 94.0000 .0000 .0000 0 138 139 2.18 94.0000 .0000 .0000 0 137 140 2.18 94.0000 .0000 .0000 0 137 141 2.18 94.0000 .0000 .0000 0 137 142 2.56 33.5000 .0000 .0000 0 140 142 2.18 94.0000 .0000 .0000 0 141 142 2.18 94.0000 .0000 .0000 0 139 143 2.18 94.0000 .0000 .0000 0 139 144 2.56 33.5000 .0000 .0000 0 143 144 2.18 94.0000 .0000 .0000 0 133 142 2.56 33.5000 .0000 .0000 0 133 145 2.18 94.0000 .0000 .0000 0 142 145 2.18 94.0000 .0000 .0000 0 142 161 2.33 146.5000 .0000 .0000 0 161 165 2.33 146.5000 .0000 .0000 0 166 167 1.80 22.6000 .0000 .0000 0 166 176 2.18 94.0000 .0000 .0000 0 167 176 2.18 94.0000 .0000 .0000 0 170 171 2.18 94.0000 .0000 .0000 0 169 172 2.18 94.0000 .0000 .0000 0 169 173 2.18 94.0000 .0000 .0000 0 169 174 2.56 33.5000 .0000 .0000 0 172 174 2.18 94.0000 .0000 .0000 0 173 174 2.18 94.0000 .0000 .0000 0 171 175 2.18 94.0000 .0000 .0000 0 171 176 2.56 33.5000 .0000 .0000 0 175 176 2.18 94.0000 .0000 .0000 0 165 174 2.56 33.5000 .0000 .0000 0 165 177 2.18 94.0000 .0000 .0000 0 174 177 2.18 94.0000 .0000 .0000 0 178 181 2.30 84.0000 .0000 .0000 0 174 194 2.33 146.5000 .0000 .0000 0 194 198 2.33 146.5000 .0000 .0000 0 199 200 1.80 22.6000 .0000 .0000 0 199 209 2.18 94.0000 .0000 .0000 0 200 209 2.18 94.0000 .0000 .0000 0 203 204 2.18 94.0000 .0000 .0000 0 202 205 2.18 94.0000 .0000 .0000 0 202 206 2.18 94.0000 .0000 .0000 0 202 207 2.56 33.5000 .0000 .0000 0 205 207 2.18 94.0000 .0000 .0000 0 206 207 2.18 94.0000 .0000 .0000 0 204 208 2.18 94.0000 .0000 .0000 0 204 209 2.56 33.5000 .0000 .0000 0 208 209 2.18 94.0000 .0000 .0000 0 198 207 2.56 33.5000 .0000 .0000 0 198 210 2.18 94.0000 .0000 .0000 0 207 210 2.18 94.0000 .0000 .0000 0 218 220 2.18 94.0000 .0000 .0000 0 218 221 2.18 94.0000 .0000 .0000 0 218 222 2.18 94.0000 .0000 .0000 0 220 221 1.80 22.6000 .0000 .0000 0 220 222 1.80 22.6000 .0000 .0000 0 221 222 1.80 22.6000 .0000 .0000 0 207 226 2.33 146.5000 .0000 .0000 0 226 230 2.33 146.5000 .0000 .0000 0 231 232 1.80 22.6000 .0000 .0000 0 231 241 2.18 94.0000 .0000 .0000 0 232 241 2.18 94.0000 .0000 .0000 0 235 236 2.18 94.0000 .0000 .0000 0 234 237 2.18 94.0000 .0000 .0000 0 234 238 2.18 94.0000 .0000 .0000⌨️ 快捷键说明
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