📄 dna2.mol
字号:
0 263 266 1.5160 932.00 .0000 .0000 0 266 267 1.1110 1294.00 .0000 .0000 0 266 268 1.5160 932.00 .0000 .0000 0 268 269 1.1110 1294.00 .0000 .0000 0 270 271 1.0100 1972.00 .0000 .0000 0 270 272 1.4000 1675.00 .0000 .0000 0 270 279 1.4100 1424.00 .0000 .0000 0 272 273 1.3650 1675.00 .0000 .0000 0 272 276 1.3400 1340.00 .0000 .0000 0 273 274 1.0000 2043.00 .0000 .0000 0 273 275 1.0000 2043.00 .0000 .0000 0 276 277 1.3360 1465.00 .0000 .0000 0 277 278 1.3700 1340.00 .0000 .0000 0 277 284 1.4080 1264.00 .0000 .0000 0 278 279 1.3600 1264.00 .0000 .0000 0 278 281 1.3600 1465.00 .0000 .0000 0 279 280 1.2350 2596.00 .0000 .0000 0 281 282 1.3080 1675.00 .0000 .0000 0 282 283 1.0900 1591.00 .0000 .0000 0 282 284 1.3650 1256.00 .0000 .0000 0 285 286 1.6000 1125.00 .0000 .0000 0 286 287 1.4800 2417.00 .0000 .0000 0 286 288 1.4800 2417.00 .0000 .0000 0 286 289 1.6000 1125.00 .0000 .0000 0 289 290 1.4300 1424.00 .0000 .0000 0 290 291 1.1110 1294.00 .0000 .0000 0 290 292 1.1110 1294.00 .0000 .0000 0 290 301 1.5160 932.00 .0000 .0000 0 293 294 1.4100 1242.00 .0000 .0000 0 293 301 1.4450 1242.00 .0000 .0000 0 294 295 1.1110 1294.00 .0000 .0000 0 294 296 1.5270 932.00 .0000 .0000 0 294 303 1.4800 1256.00 .0000 .0000 0 296 297 1.1110 1294.00 .0000 .0000 0 296 298 1.1110 1294.00 .0000 .0000 0 296 299 1.5160 932.00 .0000 .0000 0 299 300 1.1110 1294.00 .0000 .0000 0 299 301 1.5160 932.00 .0000 .0000 0 301 302 1.1110 1294.00 .0000 .0000 0 303 304 1.4000 1264.00 .0000 .0000 0 303 315 1.3650 1264.00 .0000 .0000 0 304 305 1.2350 2596.00 .0000 .0000 0 304 306 1.4100 1424.00 .0000 .0000 0 306 307 1.0100 1985.00 .0000 .0000 0 306 308 1.4100 1424.00 .0000 .0000 0 308 309 1.2350 2596.00 .0000 .0000 0 308 310 1.4250 1264.00 .0000 .0000 0 310 311 1.4800 963.00 .0000 .0000 0 310 315 1.3350 2345.00 .0000 .0000 0 311 312 1.1110 1294.00 .0000 .0000 0 311 313 1.1110 1294.00 .0000 .0000 0 311 314 1.1110 1294.00 .0000 .0000 0 315 316 1.0900 1465.00 .0000 .0000# additional list of bonds to include the Urey-Bradley term 0 2 45 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 32 77 2.33 146.5000 .0000 .0000 0 32 36 2.33 146.5000 .0000 .0000 0 37 38 1.80 22.6000 .0000 .0000 0 37 47 2.18 94.0000 .0000 .0000 0 38 47 2.18 94.0000 .0000 .0000 0 41 42 2.18 94.0000 .0000 .0000 0 40 43 2.18 94.0000 .0000 .0000 0 40 44 2.18 94.0000 .0000 .0000 0 40 45 2.56 33.5000 .0000 .0000 0 43 45 2.18 94.0000 .0000 .0000 0 44 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 46 47 2.18 94.0000 .0000 .0000 0 36 45 2.56 33.5000 .0000 .0000 0 36 48 2.18 94.0000 .0000 .0000 0 45 48 2.18 94.0000 .0000 .0000 0 56 58 2.18 94.0000 .0000 .0000 0 56 59 2.18 94.0000 .0000 .0000 0 56 60 2.18 94.0000 .0000 .0000 0 58 59 1.80 22.6000 .0000 .0000 0 58 60 1.80 22.6000 .0000 .0000 0 59 60 1.80 22.6000 .0000 .0000 0 64 109 2.33 146.5000 .0000 .0000 0 64 68 2.33 146.5000 .0000 .0000 0 69 70 1.80 22.6000 .0000 .0000 0 69 79 2.18 94.0000 .0000 .0000 0 70 79 2.18 94.0000 .0000 .0000 0 73 74 2.18 94.0000 .0000 .0000 0 72 75 2.18 94.0000 .0000 .0000 0 72 76 2.18 94.0000 .0000 .0000 0 72 77 2.56 33.5000 .0000 .0000 0 75 77 2.18 94.0000 .0000 .0000 0 76 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 78 79 2.18 94.0000 .0000 .0000 0 68 77 2.56 33.5000 .0000 .0000 0 68 80 2.18 94.0000 .0000 .0000 0 77 80 2.18 94.0000 .0000 .0000 0 96 139 2.33 146.5000 .0000 .0000 0 96 100 2.33 146.5000 .0000 .0000 0 101 102 1.80 22.6000 .0000 .0000 0 101 111 2.18 94.0000 .0000 .0000 0 102 111 2.18 94.0000 .0000 .0000 0 105 106 2.18 94.0000 .0000 .0000 0 104 107 2.18 94.0000 .0000 .0000 0 104 108 2.18 94.0000 .0000 .0000 0 104 109 2.56 33.5000 .0000 .0000 0 107 109 2.18 94.0000 .0000 .0000 0 108 109 2.18 94.0000 .0000 .0000 0 106 110 2.18 94.0000 .0000 .0000 0 106 111 2.56 33.5000 .0000 .0000 0 110 111 2.18 94.0000 .0000 .0000 0 100 109 2.56 33.5000 .0000 .0000 0 100 112 2.18 94.0000 .0000 .0000 0 109 112 2.18 94.0000 .0000 .0000 0 126 172 2.33 146.5000 .0000 .0000 0 126 130 2.33 146.5000 .0000 .0000 0 131 132 1.80 22.6000 .0000 .0000 0 131 141 2.18 94.0000 .0000 .0000 0 132 141 2.18 94.0000 .0000 .0000 0 135 136 2.18 94.0000 .0000 .0000 0 134 137 2.18 94.0000 .0000 .0000 0 134 138 2.18 94.0000 .0000 .0000 0 134 139 2.56 33.5000 .0000 .0000 0 137 139 2.18 94.0000 .0000 .0000 0 138 139 2.18 94.0000 .0000 .0000 0 136 140 2.18 94.0000 .0000 .0000 0 136 141 2.56 33.5000 .0000 .0000 0 140 141 2.18 94.0000 .0000 .0000 0 130 139 2.56 33.5000 .0000 .0000 0 130 142 2.18 94.0000 .0000 .0000 0 139 142 2.18 94.0000 .0000 .0000 0 143 146 2.30 84.0000 .0000 .0000 0 159 204 2.33 146.5000 .0000 .0000 0 159 163 2.33 146.5000 .0000 .0000 0 164 165 1.80 22.6000 .0000 .0000 0 164 174 2.18 94.0000 .0000 .0000 0 165 174 2.18 94.0000 .0000 .0000 0 168 169 2.18 94.0000 .0000 .0000 0 167 170 2.18 94.0000 .0000 .0000 0 167 171 2.18 94.0000 .0000 .0000 0 167 172 2.56 33.5000 .0000 .0000 0 170 172 2.18 94.0000 .0000 .0000 0 171 172 2.18 94.0000 .0000 .0000 0 169 173 2.18 94.0000 .0000 .0000 0 169 174 2.56 33.5000 .0000 .0000 0 173 174 2.18 94.0000 .0000 .0000 0 163 172 2.56 33.5000 .0000 .0000 0 163 175 2.18 94.0000 .0000 .0000 0 172 175 2.18 94.0000 .0000 .0000 0 183 185 2.18 94.0000 .0000 .0000 0 183 186 2.18 94.0000 .0000 .0000 0 183 187 2.18 94.0000 .0000 .0000 0 185 186 1.80 22.6000 .0000 .0000 0 185 187 1.80 22.6000 .0000 .0000 0 186 187 1.80 22.6000 .0000 .0000 0 191 234 2.33 146.5000 .0000 .0000 0 191 195 2.33 146.5000 .0000 .0000 0 196 197 1.80 22.6000 .0000 .0000 0 196 206 2.18 94.0000 .0000 .0000 0 197 206 2.18 94.0000 .0000 .0000 0 200 201 2.18 94.0000 .0000 .0000 0 199 202 2.18 94.0000 .0000 .0000 0 199 203 2.18 94.0000 .0000 .0000 0 199 204 2.56 33.5000 .0000 .0000 0 202 204 2.18 94.0000 .0000 .0000 0 203 204 2.18 94.0000 .0000 .0000 0 201 205 2.18 94.0000 .0000 .0000 0 201 206 2.56 33.5000 .0000 .0000 0 205 206 2.18 94.0000 .0000 .0000 0 195 204 2.56 33.5000 .0000 .0000 0 195 207 2.18 94.0000 .0000 .0000 0 204 207 2.18 94.0000 .0000 .0000 0 221 266 2.33 146.5000 .0000 .0000 0 221 225 2.33 146.5000 .0000 .0000 0 226 227 1.80 22.6000 .0000 .0000 0 226 236 2.18 94.0000 .0000 .0000 0 227 236 2.18 94.0000 .0000 .0000 0 230 231 2.18 94.0000 .0000 .0000 0 229 232 2.18 94.0000 .0000 .0000 0 229 233 2.18 94.0000 .0000 .0000 0 229 234 2.56 33.5000 .0000 .0000 0 232 234 2.18 94.0000 .0000 .0000 0 233 234 2.18 94.0000 .0000 .0000 0 231 235 2.18 94.0000 .0000 .0000 0 231 236 2.56 33.5000 .0000 .0000 0 235 236 2.18 94.0000 .0000 .0000 0 225 234 2.56 33.5000 .0000 .0000 0 225 237 2.18 94.0000 .0000 .0000 0 234 237 2.18 94.0000 .0000 .0000 0 253 299 2.33 146.5000 .0000 .0000 0 253 257 2.33 146.5000 .0000 .0000 0 258 259 1.80 22.6000 .0000 .0000 0 258 268 2.18 94.0000 .0000 .0000 0 259 268 2.18 94.0000 .0000 .0000 0 262 263 2.18 94.0000 .0000 .0000 0 261 264 2.18 94.0000 .0000 .0000 0 261 265 2.18 94.0000 .0000 .0000 0 261 266 2.56 33.5000 .0000 .0000 0 264 266 2.18 94.0000 .0000 .0000⌨️ 快捷键说明
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