LAMMPS data file from restart file: timestep = 5000, procs = 1 1 atoms 1 bonds 1 angles 1 dihedrals 1 impropers 68 atom types 152 bond types 367 angle types 300 dihedral types 47 improper types -27.5 27.5 xlo xhi -38.5 38.5 ylo yhi -36.3646 36.3615 zlo zhi Masses 1 1.008 2 1.008 3 1.008 4 1.008 5 1.008 6 1.008 7 1.008 8 1.008 9 1.008 10 12.011 11 12.011 12 12.011 13 12.011 14 12.011 15 12.011 16 12.011 17 12.011 18 12.011 19 12.011 20 12.011 21 12.011 22 12.011 23 14.007 24 14.007 25 14.007 26 14.007 27 14.007 28 14.007 29 14.007 30 15.999 31 15.999 32 15.999 33 15.9994 34 32.06 35 32.06 36 1.008 37 1.008 38 1.008 39 1.008 40 1.008 41 12.011 42 12.011 43 12.011 44 12.011 45 12.011 46 12.011 47 14.007 48 15.9994 49 15.9994 50 15.9994 51 30.974 52 35.45 53 22.9898 54 1.008 55 1.008 56 1.008 57 14.007 58 12.011 59 12.011 60 12.011 61 12.011 62 12.011 63 12.011 64 12.011 65 12.011 66 12.011 67 12.011 68 12.011 Pair Coeffs 1 0.046 0.400014 0.046 0.400014 2 0.046 0.400014 0.046 0.400014 3 0.022 2.35197 0.022 2.35197 4 0.046 0.400014 0.046 0.400014 5 0.03 2.42004 0.03 2.42004 6 0.022 2.35197 0.022 2.35197 7 0.046 1.60362 0.046 1.60362 8 0.046 1.24726 0.046 1.24726 9 0.1 0.801809 0.1 0.801809 10 0.11 3.56359 0.11 3.56359 11 0.07 3.55005 0.07 3.55005 12 0.02 4.05359 0.01 3.38542 13 0.055 3.87541 0.01 3.38542 14 0.08 3.6705 0.01 3.38542 15 0.05 3.20723 0.05 3.20723 16 0.05 3.20723 0.05 3.20723 17 0.09 3.20723 0.09 3.38542 18 0.07 3.55005 0.07 3.55005 19 0.02 4.05359 0.01 3.38542 20 0.055 3.87541 0.01 3.38542 21 0.055 3.87541 0.01 3.38542 22 0.07 3.56359 0.07 3.56359 23 0.2 3.29632 0.0001 3.29632 24 0.2 3.29632 0.2 3.29632 25 0.2 3.29632 0.2 2.76179 26 0.2 3.29632 0.2 3.29632 27 0.2 3.29632 0.2 3.29632 28 0.2 3.29632 0.2 3.29632 29 0.2 3.29632 0.2 3.29632 30 0.12 3.02906 0.12 2.49452 31 0.12 3.02906 0.12 3.02906 32 0.1521 3.15378 0.1521 3.15378 33 0.1521 3.15057 0.1521 3.15057 34 0.45 3.56359 0.45 3.56359 35 0.38 3.51905 0.38 3.51905 36 0.046 1.24726 0.046 1.24726 37 0.022 2.35197 0.022 2.35197 38 0.028 2.38761 0.028 2.38761 39 0.024 2.38761 0.024 2.38761 40 0.031 2.22725 0.031 2.22725 41 0.07 3.56359 0.07 3.56359 42 0.02 4.05359 0.01 3.38542 43 0.056 3.58141 0.01 3.38542 44 0.078 3.63487 0.01 3.38542 45 0.08 3.6705 0.01 3.38542 46 0.068 3.72396 0.068 3.72396 47 0.2 3.29632 0.2 3.29632 48 0.12 3.02906 0.12 2.49452 49 0.1521 3.15378 0.1521 3.15378 50 0.12 3.02906 0.12 3.02906 51 0.585 3.83087 0.585 3.83087 52 0.15 4.04468 0.15 4.04468 53 0.0469 2.42993 0.0469 2.42993 54 0.046 1.55016 0.046 1.55016 55 0.0078 1.55016 0.0078 1.55016 56 0.046 0.400014 0.046 0.400014 57 0.2 3.47451 0.2 3.47451 58 0.11 3.74178 0.11 3.74178 59 0.11 3.74178 0.11 3.74178 60 0.11 3.74178 0.11 3.74178 61 0.11 3.74178 0.11 3.74178 62 0.11 3.74178 0.11 3.74178 63 0.11 3.74178 0.11 3.74178 64 0.11 3.74178 0.11 3.74178 65 0.11 3.74178 0.11 3.74178 66 0.11 3.74178 0.11 3.74178 67 0.11 3.74178 0.11 3.74178 68 0.11 3.74178 0.11 3.74178 Bond Coeffs 1 600 1.335 2 305 1.375 3 250 1.49 4 250 1.49 5 222.5 1.527 6 222.5 1.537 7 222.5 1.537 8 410 1.36 9 305 1.368 10 360 1.4 11 250 1.49 12 200 1.522 13 222.5 1.5 14 250 1.49 15 230 1.49 16 200 1.522 17 229.63 1.5 18 222.5 1.538 19 222.5 1.53 20 250 1.49 21 230 1.49 22 200 1.522 23 229.63 1.5 24 222.5 1.538 25 222.5 1.528 26 222.5 1.53 27 350 1.365 28 350 1.44 29 230 1.51 30 330 1.1 31 340 1.083 32 317.13 1.1 33 309 1.111 34 309 1.111 35 309 1.111 36 309 1.111 37 322 1.111 38 330 1.08 39 330 1.08 40 330 1.08 41 330 1.08 42 330 1.08 43 340 1.08 44 350 1.08 45 375 1.083 46 340 1.09 47 333 1.07 48 0 1.5139 49 260 1.3 50 320 1.434 51 320 1.455 52 463 1.365 53 261 1.49 54 261 1.49 55 455 1 56 370 1.345 57 320 1.43 58 320 1.43 59 320 1.43 60 440 0.997 61 405 0.98 62 430 1.36 63 240 1.455 64 240 1.455 65 480 1 66 460 1 67 200 1.48 68 200 1.48 69 200 1.48 70 403 1.04 71 380 1.37 72 380 1.32 73 453 1 74 270 1.37 75 270 1.375 76 465 0.976 77 620 1.23 78 650 1.23 79 525 1.26 80 525 1.26 81 450 1.33 82 450 1.33 83 334.3 1.411 84 428 1.42 85 428 1.42 86 428 1.42 87 545 0.96 88 450 0.9572 89 198 1.818 90 240 1.816 91 275 1.325 92 214 1.816 93 214 1.816 94 173 2.029 95 330 1.081 96 330 1.081 97 330 1.081 98 330 1.081 99 330 1.081 100 330 1.081 101 330 1.081 102 330 1.081 103 330 1.081 104 250 1.3285 105 187 1.5344 106 187 1.4909 107 187 1.493 108 187 1.5125 109 187 1.5125 110 250 1.4839 111 250 1.4839 112 250 1.3168 113 250 1.4684 114 250 1.3462 115 250 1.4439 116 250 1.4439 117 250 1.3386 118 250 1.4545 119 250 1.3455 120 400 1.4578 121 200 1.522 122 435 1.274 123 440 1.013 124 290 1.43 125 200 1.522 126 200 1.522 127 200 1.522 128 750 1.22 129 198 1.818 130 150 1.334 131 309 1.111 132 309 1.111 133 322 1.111 134 340 1.43 135 340 1.43 136 340 1.43 137 270 1.6 138 580 1.48 139 215 1.51 140 215 1.51 141 300 1.08 142 300 1.08 143 222.5 1.5 144 222.5 1.538 145 222.5 1.538 146 222.5 1.53 147 222.5 1.528 148 222.5 1.53 149 383 1.504 150 360.5 1.1 151 365 1.502 152 440 1.34 Angle Coeffs 1 40 120 35 2.4162 2 60 117 0 0 3 52 112.3 0 0 4 52 112.3 0 0 5 70 108.5 0 0 6 70 108.5 0 0 7 60 117 0 0 8 100 114.2 0 0 9 145 108 0 0 10 60 118 0 0 11 60 122 0 0 12 120 107.4 25 2.261 13 110 108 0 0 14 52 108 0 0 15 52 108 0 0 16 53.35 111 8 2.561 17 51.8 107.5 0 0 18 52 108 0 0 19 58.35 113 0 0 20 58.35 113.5 11.16 2.561 21 50 120 0 0 22 45.8 122.3 0 0 23 45.8 130 0 0 24 52 108 0 0 25 52 108 0 0 26 53.35 111 8 2.561 27 52 108 0 0 28 52 108 0 0 29 58.35 113.5 11.16 2.561 30 58.35 113.6 11.16 2.561 31 58.35 113.5 11.16 2.561 32 45.8 129.4 0 0 33 45.8 124 0 0 34 62.3 120 0 0 35 50 120 0 0 36 45.8 122.3 0 0 37 45.8 130 0 0 38 52 108 0 0 39 52 108 0 0 40 53.35 108.5 8 2.561 41 53.35 114 8 2.561 42 53.35 114 8 2.561 43 51.8 107.5 0 0 44 58.35 113 0 0 45 58.35 113.5 11.16 2.561 46 58 115 8 2.561 47 53.35 114 8 2.561 48 62.3 120 0 0 49 50 120 0 0 50 34 95 0 0 51 160 130.6 0 0 52 110 107.4 0 0 53 58.35 114 0 0 54 58.35 114 0 0 55 34 123 0 0 56 35 117 0 0 57 35 117 0 0 58 35 117 0 0 59 50 120 0 0 60 23 120 0 0 61 25 126 15 2.13 62 25 126 15 2.09 63 28 126 0 0 64 28 126 0 0 65 65 108 0 0 66 57.5 106 0 0 67 57.5 106 0 0 68 57.5 106 0 0 69 50 120.5 0 0 70 50 118 0 0 71 29 120 25 2.1525 72 41 122 0 0 73 32 125 25 2.173 74 33.43 110.1 22.53 2.179 75 26.5 110.1 22.53 2.179 76 26.5 110.1 22.53 2.179 77 35.5 109 5.4 1.802 78 26.5 110.1 22.53 2.179 79 35.5 109 5.4 1.802 80 33 109.5 30 2.163 81 34.5 110.1 22.53 2.179 82 34.5 110.1 22.53 2.179 83 34.5 110.1 22.53 2.179 84 35.5 109 5.4 1.802 85 33 109.5 30 2.163 86 49.3 107.5 0 0 87 33 109.5 30 2.163 88 33.43 109.5 0 0 89 33.43 110.1 22.53 2.179 90 26.5 110.1 22.53 2.179 91 34.6 110.1 22.53 2.179 92 33.43 109.5 0 0 93 35.5 109 5.4 1.802 94 33 109.5 30 2.163 95 49.3 107.5 0 0 96 33 109.5 30 2.163 97 33.43 109.5 0 0 98 33.43 110.1 22.53 2.179 99 34.6 110.1 22.53 2.179 100 37.5 110.1 22.53 2.179 101 35.5 108.4 5.4 1.802 102 20 126.4 25 2.186 103 32 126.4 25 2.255 104 50 112 0 0 105 50 112 0 0 106 35 118 0 0 107 50 109.5 0 0 108 50 109.5 0 0 109 35 111 0 0 110 35 111 0 0 111 35 111 0 0 112 50 109.5 0 0 113 50 109.5 0 0 114 36 115 0 0 115 50 109.5 0 0 116 49 120 0 0 117 40.4 120 0 0 118 40.4 120 0 0 119 25 120 0 0 120 50 111 0 0 121 50 111 0 0 122 39 106.5 0 0 123 30 109.5 20 2.074 124 30 109.5 20 2.074 125 30 109.5 20 2.074 126 44 109.5 0 0 127 30 120 22 2.1525 128 30 122 22 2.146 129 32 125 25 2.173 130 32 126.4 25 2.186 131 32 126.4 25 2.255 132 22 130 15 2.215 133 38.8 95 0 0 134 43 95 0 0 135 55 104.52 0 0 136 20 112.5 0 0 137 20 112.5 0 0 138 20 112.5 0 0 139 20 112.5 0 0 140 50 108.2 0 0 141 50 108.2 0 0 142 70 110.8 0 0 143 48 112 0 0 144 70 110.5 0 0 145 48 108 0 0 146 52 120 90 2.3642 147 67.7 107.5 0 0 148 51.5 107.5 0 0 149 51.5 107.5 0 0 150 80 116.5 0 0 151 80 116.5 0 0 152 80 116.5 0 0 153 80 116.5 0 0 154 50 107 0 0 155 50 107 0 0 156 70 113.5 0 0 157 70 113.5 0 0 158 70 113.5 0 0 159 48 108 0 0 160 50 107 0 0 161 50 107 0 0 162 70 113.5 0 0 163 51.5 109.5 0 0 164 48 108 0 0 165 51.5 109.5 0 0 166 80 112.5 0 0 167 50 116.5 50 2.45 168 50 116.5 50 2.45 169 50 116.5 50 2.45 170 44 111 50 1.98 171 38 109.5 50 2.14 172 38 109.5 50 2.14 173 43.7 110 0 0 174 43.7 110 0 0 175 67.7 110 0 0 176 67.7 110 0 0 177 67.7 110 0 0 178 51.5 107.5 0 0 179 43.7 110 0 0 180 43.7 110 0 0 181 67.7 110 0 0 182 45 107.5 35 2.101 183 51.5 107.5 0 0 184 45 107.5 35 2.101 185 145 108 0 0 186 45.8 122 0 0 187 22 122 15 2.18 188 32 126 25 2.14 189 145 108 0 0 190 120 110 25 2.24 191 32 125 25 2.177 192 32 125 25 2.177 193 160 130.6 0 0 194 110 107.4 0 0 195 80 118 0 0 196 80 121 0 0 197 80 121 0 0 198 80 121 0 0 199 50 121.7 0 0 200 80 122.5 0 0 201 80 122.5 0 0 202 80 118 0 0 203 15 121 50 2.44 204 15 121 50 2.44 205 15 121 50 2.44 206 44 122 0 0 207 75 122.5 50 2.37 208 40 120 0 0 209 40 118 50 2.388 210 40 118 50 2.388 211 40 118 50 2.388 212 40 118 50 2.388 213 100 124 70 2.225 214 65 122 0 0 215 65 118.3 0 0 216 65 118.3 0 0 217 45.2 120 0 0 218 75.7 110.1 0 0 219 75.7 110.1 0 0 220 45.9 108.89 0 0 221 75.7 110.1 0 0 222 75.7 110.1 0 0 223 75.7 110.1 0 0 224 45.9 108.89 0 0 225 45.9 108.89 0 0 226 58 112.5 0 0 227 58 114.5 0 0 228 58 114.5 0 0 229 46.1 111.3 0 0 230 46.1 111.3 0 0 231 58 112.5 0 0 232 38 111 0 0 233 38 111 0 0 234 72.5 103.3 0 0 235 72.5 103.3 0 0 236 41 117.78 0 0 237 41 117.78 0 0 238 41 117.78 0 0 239 41 116.77 0 0 240 41 116.77 0 0 241 41 116.77 0 0 242 41 116.77 0 0 243 41 116.39 0 0 244 41 116.39 0 0 245 41 116.39 0 0 246 41 116.39 0 0 247 41 116.39 0 0 248 41 118.22 0 0 249 41 118.22 0 0 250 41 117 0 0 251 41 117 0 0 252 70 117.07 0 0 253 50 118.41 0 0 254 50 117.07 0 0 255 49.3 107.5 0 0 256 49.3 107.5 0 0 257 49.3 107.5 0 0 258 49.3 107.5 0 0 259 49.3 107.5 0 0 260 95 124.43 0 0 261 95 124.43 0 0 262 95 126.46 0 0 263 95 126.46 0 0 264 95 126.46 0 0 265 95 126.46 0 0 266 95 118.36 0 0 267 95 127.21 0 0 268 95 127.21 0 0 269 95 123.56 0 0 270 95 125.99 0 0 271 95 118.23 0 0 272 95 125.86 0 0 273 75.7 110.1 0 0 274 60 122.55 0 0 275 45.8 122.4 0 0 276 45.8 115.04 0 0 277 45.8 118.37 0 0 278 45.8 123.28 0 0 279 45.8 118.28 0 0 280 45.8 123.45 0 0 281 45.8 123.06 0 0 282 51.8 115.15 0 0 283 51.8 110.25 0 0 284 51.1 113.09 0 0 285 58.35 113.5 0 0 286 51.8 110.25 0 0 287 58.35 113.5 0 0 288 45.8 123.06 0 0 289 58 118.1 0 0 290 50 124.72 0 0 291 50 117.3 0 0 292 70 123.78 0 0 293 35 117.18 0 0 294 70 113.5 0 0 295 51.5 109.5 0 0 296 70 125 20 2.442 297 70 125 20 2.442 298 70 125 20 2.442 299 90 125.9 160 2.2576 300 90 125.9 160 2.2576 301 40 109.6 30 2.2651 302 40 109.6 30 2.2651 303 40 109.6 30 2.2651 304 40 109.6 30 2.2651 305 33 109.5 30 2.163 306 33 109.5 30 2.163 307 52 108 0 0 308 52 108 0 0 309 55 109 20 2.326 310 55 109 20 2.326 311 58 112.5 0 0 312 75.7 110.1 0 0 313 75.7 110.1 0 0 314 75.7 110.1 0 0 315 75.7 110.1 0 0 316 75.7 110.1 0 0 317 35.5 109 5.4 1.802 318 35.5 108.4 5.4 1.802 319 60 109.5 0 0 320 60 109.5 0 0 321 60 109.5 0 0 322 46.1 111.3 0 0 323 46.1 111.3 0 0 324 46.1 111.3 0 0 325 20 120 35 2.33 326 20 120 35 2.33 327 80 104.3 0 0 328 98.9 111.6 0 0 329 120 120 0 0 330 40 109.5 27 2.13 331 40 109.5 27 2.13 332 24 109.5 28 1.767 333 24 109.5 28 1.767 334 60 109.5 26 2.466 335 60 109.5 26 2.466 336 33.43 110.1 22.53 2.179 337 33.43 110.1 22.53 2.179 338 34.5 110.1 22.53 2.179 339 34.5 110.1 22.53 2.179 340 34.5 110.1 22.53 2.179 341 26.5 110.1 22.53 2.179 342 26.5 110.1 22.53 2.179 343 34.6 110.1 22.53 2.179 344 33.43 110.1 22.53 2.179 345 34.6 110.1 22.53 2.179 346 37.5 110.1 22.53 2.179 347 67.7 115 0 0 348 67.7 115 0 0 349 53.35 111 8 2.561 350 58.35 113.5 11.16 2.561 351 53.35 108.5 8 2.561 352 58.35 113.5 11.16 2.561 353 58.35 113.5 11.16 2.561 354 58.35 113.5 11.16 2.561 355 58.35 113.5 11.16 2.561 356 58.35 113.5 11.16 2.561 357 58.35 113.6 11.16 2.561 358 58 115 8 2.561 359 48 123.5 0 0 360 48 123.5 0 0 361 52 119.5 0 0 362 40 116 0 0 363 22 117 0 0 364 32 112.2 0 0 365 32 112.2 0 0 366 45 111.5 0 0 367 42 111.5 0 0 Dihedral Coeffs 1 0.2 3 0 1 2 0 1 0 1 3 0.6 1 0 1 4 0.1 3 0 1 5 0.195 3 0 1 6 2.5 2 180 1 7 1.6 1 0 1 8 2.5 2 180 0 9 0 1 0 1 10 0 1 0 1 11 1.4 1 0 1 12 0 1 0 1 13 0.24 1 180 1 14 0.37 3 0 0 15 0.01 3 0 1 16 0.28 3 0 1 17 0.28 3 0 1 18 0 1 0 1 19 1.8 1 0 1 20 0.2 1 180 1 21 2.5 2 180 1 22 2.5 2 180 1 23 0 1 0 1 24 0.6 1 0 1 25 0 1 0 1 26 0 1 0 1 27 0 1 0 1 28 0.05 6 180 1 29 1.6 1 0 1 30 2.5 2 180 0 31 1.4 2 180 1 32 0 3 180 1 33 0 3 180 1 34 1.4 2 180 1 35 0 1 0 1 36 0.2 1 180 1 37 2.5 2 180 1 38 0 1 0 1 39 0.6 1 0 1 40 0 1 0 1 41 0 1 0 1 42 2.5 2 180 1 43 1.6 1 0 1 44 2.5 2 180 0 45 0 1 0 1 46 0 1 0 1 47 1.8 1 0 1 48 0.2 3 0 1 49 0 1 0 1 50 1.33 1 0 1 51 0.18 2 0 0 52 0.32 3 0 0 53 0.2 3 0 1 54 1.4 1 0 1 55 0 1 0 1 56 0.14 3 0 1 57 1.33 1 0 1 58 0.18 2 0 0 59 0.32 3 0 0 60 0.4 1 0 1 61 2.75 2 180 1 62 0.3 4 0 0 63 2.75 2 180 1 64 0.3 4 0 0 65 0 1 0 1 66 0 3 180 1 67 0 3 180 1 68 0.8 3 0 1 69 0.8 3 0 1 70 0.8 3 0 1 71 2.75 2 180 1 72 0.3 4 0 0 73 2.75 2 180 1 74 0.3 4 0 0 75 0.14 3 0 0 76 0.14 3 0 1 77 0.14 3 0 1 78 0.14 3 0 0 79 -0.3 4 0 1 80 0.3 1 0 1 81 -0.3 4 0 0 82 0.1 3 0 1 83 0.1 3 0 0 84 0.1 3 0 1 85 0.16 3 0 0 86 0.16 3 0 1 87 0.1 3 0 1 88 0.1 3 0 0 89 2.5 2 180 1 90 1.6 1 0 1 91 2.5 2 180 0 92 0.4 1 0 1 93 0.6 2 0 0 94 0.4 1 180 1 95 0.6 2 0 0 96 0.4 1 180 1 97 0.6 2 0 0 98 0.4 1 0 1 99 0.6 2 0 0 100 0.23 2 180 1 101 4.2 2 180 1 102 3.1 2 180 1 103 0 6 0 1 104 0.04 3 0 1 105 4.2 2 180 1 106 3.1 2 180 0.5 107 2.4 2 180 1 108 3.1 2 180 1 109 0.99 2 180 1 110 4.2 2 180 1 111 0.4 1 0 1 112 2.75 2 180 1 113 0.3 4 0 0 114 2.75 2 180 1 115 0.3 4 0 0 116 0 1 0 1 117 0 1 0 1 118 1.3 1 0 1 119 0.3 2 0 0 120 0.42 3 0 0 121 0.14 3 0 1 122 0.15 1 0 1 123 0.1 3 0 1 124 0 6 180 1 125 2.25 2 180 1 126 0 1 0 1 127 1.8 1 0 1 128 0 1 0 1 129 1.4 1 0 1 130 0 1 0 1 131 0 1 0 1 132 0.23 2 180 1 133 0.23 2 180 1 134 1.2 2 180 1 135 3.5 2 180 1 136 3 2 180 1 137 3 2 180 1 138 0.25 2 180 1 139 0.25 2 180 1 140 0.8 2 180 1 141 5 2 180 0 142 5 2 180 0 143 10 2 180 1 144 3 2 180 1 145 3 2 180 1 146 4 2 180 0 147 3 2 180 1 148 5 2 180 0 149 3 2 180 1 150 2 2 180 1 151 0.4 2 180 1 152 2 2 180 1 153 4 2 180 0 154 10 2 180 1 155 3 2 180 1 156 2.8 2 180 1 157 0.8 2 180 1 158 0.8 2 180 1 159 3 2 180 1 160 3.1 2 180 0.5 161 3.1 2 180 0.5 162 3 2 180 1 163 3.1 2 180 0.5 164 0.16 3 0 1 165 0.2 1 0 1 166 0.27 2 0 0 167 0 3 0 0 168 0.19 3 0 1 169 1 2 180 1 170 2.5 2 180 1 171 3 2 180 1 172 2.5 2 180 1 173 0 3 0 1 174 0.19 3 0 1 175 1.4 2 180 1 176 12 2 180 0 177 12 2 180 0 178 3 2 180 1 179 2.5 2 180 1 180 3 2 180 1 181 2.5 2 180 1 182 12 2 180 0 183 1.4 2 180 1 184 0 2 180 1 185 1.6 1 0 1 186 2.5 2 180 0 187 1 1 0 1 188 4.1 2 0 0 189 0.9 3 0 0 190 0.31 3 0 1 191 0.158 3 0 1 192 0.24 1 0 1 193 0.15 2 0 0 194 0.27 3 0 0 195 0.2 3 0 1 196 0.3 1 0 1 197 -0.3 4 0 0 198 2.75 2 180 1 199 0.3 4 0 0 200 2.75 2 180 1 201 0.3 4 0 0 202 0.4 1 180 1 203 0.6 2 0 0 204 0.4 1 0 1 205 0.6 2 0 0 206 0.3 1 0 1 207 0.3 1 0 1 208 8 2 180 1 209 0 3 0 1 210 0 3 0 1 211 0 3 0 1 212 1.504 1 180 1 213 5.301 2 180 0 214 0.916 3 0 0 215 0.401 4 0 0 216 8 2 180 1 217 0 3 0 1 218 0 3 0 1 219 0.167 3 180 1 220 0 3 0 1 221 0.16 1 0 1 222 2.2318 2 180 0 223 1.1324 3 0 0 224 0.3006 4 0 0 225 8 2 180 1 226 0 3 0 1 227 0 3 0 1 228 0.16 1 0 1 229 2.2318 2 180 0 230 1.1324 3 0 0 231 0.3006 4 0 0 232 8 2 180 1 233 0.167 3 180 1 234 0 3 0 1 235 0.16 1 0 1 236 2.2318 2 180 0 237 1.1324 3 0 0 238 0.3006 4 0 0 239 8 2 180 1 240 0 3 0 1 241 0.16 1 0 1 242 2.2318 2 180 0 243 1.1324 3 0 0 244 0.3006 4 0 0 245 0 3 0 1 246 8 2 180 1 247 0 3 0 1 248 0.167 3 180 1 249 0 3 0 1 250 0 3 0 0.5 251 0.16 3 0 0.5 252 0.155 3 0 1 253 0 3 0 0.5 254 0.195 3 0 0.5 255 0 3 0 1 256 8 2 180 0.5 257 0.15 1 0 0.5 258 0.2 1 180 1 259 0.05 6 180 1 260 0 1 0 1 261 0.19 3 0 1 262 3.3 1 180 1 263 -0.4 3 180 0 264 0.23 3 0 1 265 0.26 3 0 1 266 0 3 0 1 267 0.1 3 0 1 268 1.2 1 180 1 269 0.1 2 180 0 270 0.1 3 180 0 271 0.2 3 0 1 272 0.7 1 180 1 273 0.965 1 180 1 274 3.85 2 180 0 275 2.05 2 180 1 276 0 3 0 1 277 0 6 180 1 278 -0.15 1 180 1 279 0.53 2 180 0 280 0 6 180 1 281 0.05 6 180 1 282 0.1 2 180 1 283 0.15 4 0 0 284 0.1 6 180 0 285 0.965 1 180 1 286 3.85 2 180 0 287 0.12 3 0 1 288 0.4 3 0 1 289 0.13 1 180 1 290 24 2 180 0 291 0.87 3 0 1 292 0.03 3 0 1 293 1 2 180 1 294 0.1 2 180 1 295 0.15 4 0 0 296 0.1 6 180 0 297 0.16 3 0 1 298 2.05 2 180 1 299 0.28 3 0 1 300 0 0 0 1 Improper Coeffs 1 20 0 2 20 0.0548311 3 0 0 4 1.2 0 5 1.2 0 6 100 0 7 45 0 8 45 0 9 45 0 10 45 0 11 45 0 12 120 0 13 45 0 14 45 0 15 45 0 16 45 0 17 45 0 18 100 0 19 100 0 20 100 0 21 100 0 22 100 0 23 100 0 24 100 0 25 100 0 26 100 0 27 100 0 28 100 0 29 100 0 30 100 0 31 100 0 32 100 0 33 100 0 34 100 0 35 100 0 36 100 0 37 100 0 38 45 0 39 40 0 40 20 0 41 4 0 42 120 0 43 96 0 44 96 0 45 96 0 46 96 0 47 100 0 Atoms 1 1 27 -0.3 -6.80572 -9.10264 -32.2296 0 0 0 Bonds 1 67 1 5 Angles 1 126 2 1 3 Dihedrals 1 4 2 1 5 6 Impropers 1 42 18 5 20 19