# Bonding information for index 376 -- 0MA_15@O2 0MA_13@H6O 0MA_13@O6 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 376 2 3995 1 2.90 2.0065 9.536 ## Starting information for simulation # 3 ## Starting information for simulation # 4 376 4 3455 1 2.80 2.7484 12.542 376 4 3487 1 2.97 2.5937 12.753 376 4 3492 1 2.98 2.7179 12.779 376 4 3493 1 2.82 2.8044 12.575 376 4 3494 1 2.94 2.9655 12.819 376 4 3510 1 2.85 2.8695 12.725 376 4 3593 1 2.80 2.8790 11.352 ## Starting information for simulation # 5 376 5 5469 1 2.87 2.3459 12.368 376 5 5479 1 2.75 1.9672 12.271 376 5 5486 1 2.91 2.5005 11.725 376 5 5726 1 2.87 2.5845 10.980 376 5 5729 1 2.64 3.0182 11.078 376 5 5763 1 2.65 3.0666 12.251 376 5 5880 1 2.86 2.8124 11.662 376 5 5881 1 2.96 2.6337 11.560 376 5 6298 1 2.99 2.1820 11.875 376 5 6363 1 2.74 2.1519 12.050 376 5 6458 1 2.98 2.0310 11.128 376 5 6673 1 2.95 2.6627 9.536 376 5 6675 1 2.78 2.8760 9.933 376 5 6686 1 2.94 2.4438 9.629 376 5 6708 1 2.78 1.7498 8.760 376 5 6724 1 2.69 1.7458 8.488 376 5 6734 1 2.89 2.5821 8.998 376 5 7588 1 2.75 3.1325 9.237 376 5 7589 1 2.83 2.9891 9.120 376 5 7590 1 2.78 3.0866 9.211 376 5 7591 1 2.98 2.7372 9.941 376 5 7594 1 2.87 2.7916 8.470 376 5 7595 1 2.84 2.4425 7.961 376 5 7596 1 2.79 3.0306 8.246 376 5 7598 1 2.88 2.6654 8.153 376 5 7599 1 2.71 2.8187 8.948 376 5 7600 1 2.78 2.7745 9.893 376 5 7601 1 2.69 2.9215 9.256 376 5 7602 1 2.85 2.1294 8.535 ## Starting information for simulation # 6 ## Starting information for simulation # 7 ## Starting information for simulation # 8 ## Starting information for simulation # 9 376 9 1112 1 2.95 2.2920 12.186 376 9 1128 1 2.89 1.8110 13.301 376 9 2386 1 2.79 2.7976 12.953 376 9 2387 1 2.83 2.5999 12.385 376 9 2388 1 2.67 2.9213 12.512 376 9 2389 1 2.85 1.8756 12.319 376 9 2392 1 2.94 2.0038 12.438 376 9 2620 1 2.89 2.6979 13.260 376 9 2621 1 2.89 2.5511 12.837 376 9 2632 1 2.90 2.2977 12.538 376 9 3073 1 2.80 2.7844 12.670 376 9 3135 1 2.58 2.7880 12.518 376 9 3139 1 2.69 2.2556 12.249 376 9 3141 1 2.84 2.0654 11.915 376 9 3143 1 2.97 2.8315 12.276 376 9 3144 1 2.84 2.5397 12.464 376 9 3145 1 2.63 2.9308 12.636 376 9 3146 1 2.96 2.1031 12.621 376 9 3147 1 2.97 2.3384 12.096 376 9 3151 1 2.97 2.7835 12.069 ## Starting information for simulation # 10 376 10 29 1 2.96 2.7508 11.674 376 10 30 1 2.94 2.8891 11.762 376 10 68 1 2.97 2.3527 11.882 376 10 149 1 2.85 2.5534 12.712 376 10 218 1 2.99 2.2883 12.555 376 10 219 1 2.75 2.3333 13.047 376 10 222 1 2.80 2.5807 12.791 376 10 223 1 2.64 2.8722 12.696 376 10 224 1 2.76 2.5875 12.629 376 10 225 1 2.82 2.9077 12.520 376 10 226 1 2.71 3.1378 12.657 376 10 228 1 2.86 3.0477 12.412 376 10 229 1 2.97 2.5434 12.636 376 10 231 1 2.54 2.8428 12.551 376 10 232 1 2.86 2.6243 12.697 376 10 236 1 2.91 2.8857 12.087 376 10 238 1 2.84 2.5565 12.807 376 10 239 1 2.81 2.9497 12.818 376 10 240 1 2.61 2.8879 12.131 376 10 241 1 3.00 2.9207 12.359 376 10 244 1 2.59 2.7438 12.645 376 10 245 1 2.91 2.7195 12.992 376 10 246 1 2.90 2.3489 12.669 376 10 247 1 2.97 2.5697 12.854 376 10 248 1 2.85 2.7160 12.339 376 10 249 1 2.82 2.4897 12.572 376 10 250 1 2.80 2.7327 12.765 376 10 251 1 2.87 2.5435 12.678 376 10 253 1 2.70 2.9747 12.322 376 10 254 1 2.92 2.8975 11.149 376 10 255 1 2.79 2.8817 10.835 376 10 256 1 2.85 2.5529 10.668 376 10 257 1 2.86 2.7074 11.264 376 10 258 1 2.68 2.7793 11.258 376 10 259 1 2.85 2.6437 12.192 376 10 260 1 2.93 2.4804 11.497 376 10 261 1 2.92 3.0505 11.128 376 10 262 1 2.87 2.5681 12.000 376 10 263 1 2.98 2.4369 12.262 376 10 264 1 2.67 2.8069 12.160 376 10 293 1 2.81 2.8026 12.657 376 10 294 1 2.79 2.6653 12.805 376 10 295 1 2.96 2.3934 12.857 376 10 296 1 2.63 2.4287 12.839 376 10 297 1 2.95 2.6394 12.295 376 10 298 1 2.95 2.5921 12.597 376 10 299 1 2.77 2.7415 12.895 376 10 346 1 2.94 2.6779 12.609 376 10 347 1 2.70 2.9113 12.415 376 10 348 1 2.78 2.7059 12.108 376 10 349 1 2.96 2.8356 11.964 376 10 351 1 2.78 2.5263 12.881 376 10 352 1 2.75 2.6220 13.110 376 10 357 1 2.73 3.0153 12.371 376 10 359 1 2.72 2.6794 12.417 376 10 360 1 2.75 2.7641 13.239 376 10 362 1 2.78 2.8045 12.835 376 10 363 1 2.88 2.8082 12.874 376 10 364 1 2.91 2.3110 12.063 376 10 366 1 2.79 2.9663 12.767 376 10 367 1 2.73 2.6738 12.493 376 10 369 1 2.78 2.7225 13.149 376 10 370 1 2.77 2.1534 12.641 376 10 371 1 2.89 2.6847 12.580 376 10 372 1 2.81 2.8557 12.224 376 10 375 1 2.97 2.2998 12.204 376 10 376 1 2.91 2.8091 12.003 376 10 378 1 2.96 2.7431 11.985 376 10 379 1 2.95 2.8921 12.342 376 10 380 1 2.89 2.5135 12.396 376 10 382 1 2.93 2.9349 12.855 376 10 387 1 2.75 2.9549 13.068 376 10 391 1 2.86 2.6631 12.678 376 10 393 1 2.68 2.8174 13.222 376 10 394 1 2.68 2.8747 12.534 ## Starting information for simulation # 11 ## Starting information for simulation # 12 ## Starting information for simulation # 13 376 13 1575 1 2.73 2.8656 11.424 376 13 1576 1 2.68 2.7912 11.464 376 13 1578 1 2.70 2.8197 12.183 376 13 1580 1 2.62 2.5735 11.662 376 13 1581 1 2.86 3.0754 11.486 376 13 1582 1 2.71 2.7711 11.184 376 13 1583 1 2.97 2.1265 11.762 376 13 1584 1 2.96 3.0066 11.971 376 13 1585 1 2.75 3.0879 11.401 376 13 1641 1 2.78 3.1288 11.175 376 13 1642 1 2.69 2.7684 11.420 376 13 1643 1 2.87 2.5621 10.919 376 13 2394 1 2.84 2.4718 12.200 376 13 3674 1 2.97 2.2610 12.658 376 13 4350 1 2.95 1.7530 12.512 376 13 4353 1 2.92 3.0441 12.152 376 13 4356 1 2.68 2.6680 12.519 376 13 4358 1 2.87 2.6360 12.707 376 13 4360 1 2.85 3.0654 12.624 376 13 4363 1 2.80 2.8519 12.488 376 13 4364 1 2.85 2.8664 12.752 376 13 4375 1 2.79 2.4864 12.499 376 13 4376 1 2.91 2.6025 12.765 376 13 4377 1 2.70 2.7991 12.187 376 13 4378 1 2.83 2.7267 12.822 376 13 4379 1 2.88 2.5931 12.736 376 13 4380 1 2.77 2.6223 12.607 376 13 4382 1 2.81 2.6829 12.714 376 13 4387 1 2.82 2.7783 12.897 376 13 4388 1 2.74 2.8527 12.462 376 13 4389 1 2.73 2.7615 12.187 376 13 4391 1 2.87 2.1153 11.648 376 13 4393 1 2.80 2.6313 11.857 376 13 4395 1 2.91 2.0635 12.024 376 13 4396 1 2.80 2.6265 11.991 376 13 4401 1 2.88 2.6703 11.925 376 13 4403 1 2.78 2.4924 11.826 376 13 4404 1 2.88 2.8033 11.545 376 13 4405 1 2.88 2.8819 12.337 376 13 4409 1 3.00 2.6236 11.706 376 13 4413 1 2.70 2.9262 12.564 376 13 4415 1 2.94 2.7779 11.517 376 13 4417 1 2.85 2.8665 11.560 376 13 4418 1 2.58 2.6347 12.151 376 13 4419 1 2.97 1.7891 12.412 376 13 4421 1 2.84 2.9877 12.294 376 13 4422 1 2.68 2.8097 12.070 376 13 4424 1 2.66 2.8319 11.569 376 13 4427 1 2.94 2.3756 12.031 376 13 4428 1 2.91 2.9308 11.443 376 13 4432 1 2.89 2.2347 11.338 376 13 4437 1 2.74 2.9510 11.677 376 13 4440 1 2.91 2.4891 12.063 376 13 4442 1 2.70 2.0472 11.714 376 13 4445 1 2.87 2.3984 11.499 376 13 4447 1 2.76 2.3844 11.945 376 13 4449 1 2.85 2.7100 11.653 376 13 4450 1 2.85 1.9929 12.097 376 13 4454 1 2.63 2.5377 12.161 376 13 4455 1 2.71 2.7301 11.295 376 13 4458 1 2.97 2.5522 12.231 376 13 4460 1 2.89 3.0398 12.110 376 13 4469 1 2.81 2.2116 11.658 376 13 4470 1 2.91 2.1089 12.106 376 13 4471 1 2.82 3.1211 12.231 376 13 4472 1 2.66 2.9094 12.096 376 13 4473 1 2.77 2.6981 12.172 376 13 4476 1 2.63 3.0489 11.383 376 13 4480 1 2.89 2.2793 11.537 376 13 4482 1 2.90 2.9007 11.684 376 13 4483 1 2.72 2.5176 11.191 376 13 4485 1 2.98 2.7066 12.318 376 13 4487 1 2.87 1.9461 12.276 ## Starting information for simulation # 14 376 14 370 1 2.80 3.0809 11.346 376 14 372 1 2.61 3.0196 11.239 376 14 374 1 2.91 2.8468 11.694 376 14 375 1 2.90 2.2002 11.477 376 14 378 1 2.78 2.6522 9.808 376 14 843 1 2.66 2.9862 10.587 376 14 846 1 2.77 2.8296 10.193 376 14 847 1 2.79 2.5322 9.633 376 14 1290 1 2.60 3.1008 11.596 376 14 1291 1 2.75 2.8772 11.980 376 14 1293 1 2.72 2.7663 11.567 376 14 2074 1 2.91 1.8572 12.530 376 14 2286 1 2.73 2.4723 12.886 376 14 2333 1 2.84 3.0839 12.686 376 14 2390 1 3.00 2.2359 12.904 376 14 2433 1 2.91 2.5326 12.905 376 14 2537 1 2.81 2.7656 13.137 376 14 2606 1 2.85 2.9839 12.818 376 14 2709 1 2.66 2.8074 12.863 376 14 2799 1 2.88 2.1133 11.831 376 14 2802 1 2.98 2.2245 11.370 376 14 2942 1 2.87 2.8057 12.138 376 14 2952 1 2.82 2.6431 11.943 376 14 2985 1 2.64 2.4123 11.640 376 14 3159 1 2.95 2.7313 12.999 376 14 3161 1 2.84 2.2901 12.394 376 14 3171 1 2.84 1.8125 12.894 376 14 3175 1 2.97 2.9271 13.075 376 14 3185 1 2.82 1.9696 12.828 376 14 3191 1 2.98 2.3505 13.471 376 14 3192 1 2.98 2.9756 12.630 376 14 3193 1 2.98 2.6130 12.604 376 14 3196 1 2.88 2.6405 13.058 376 14 3197 1 2.93 2.4103 13.042 376 14 3371 1 2.82 2.2501 12.926 376 14 3402 1 2.91 2.6003 12.837 376 14 3476 1 2.75 2.9305 12.822 376 14 3477 1 2.71 2.6899 13.569 376 14 3478 1 2.61 2.8054 12.916 ## Starting information for simulation # 15 376 15 18 1 2.93 2.6607 12.698 376 15 101 1 2.79 1.9014 12.400 376 15 102 1 2.94 2.6716 12.808 ## Starting information for simulation # 16 ## Starting information for simulation # 17 376 17 24 1 2.91 2.5974 11.787 376 17 1346 1 2.76 2.7536 12.478 376 17 1536 1 2.84 2.8137 13.148 376 17 1575 1 2.74 2.6214 12.773 376 17 1609 1 2.82 2.8344 13.702 376 17 1610 1 2.71 2.6496 13.086 376 17 1615 1 2.67 2.8442 12.986 376 17 1716 1 2.73 2.9162 13.908 376 17 1835 1 2.92 2.8435 12.685 376 17 2021 1 2.71 2.5119 12.242 376 17 2022 1 2.88 1.7533 12.203 376 17 2023 1 2.81 2.8310 12.506 376 17 2024 1 2.95 2.7569 11.523 376 17 2025 1 2.90 2.7830 12.486 376 17 7496 1 2.92 2.7334 13.105 376 17 7497 1 2.87 1.9726 12.649 ## Starting information for simulation # 18 ## Starting information for simulation # 19 376 19 158 1 2.96 2.0067 12.463 376 19 4034 1 2.94 2.4235 13.696 376 19 4742 1 2.79 2.8762 13.234 376 19 4743 1 2.87 2.6423 12.956 376 19 4761 1 2.93 2.6551 13.080 376 19 4769 1 2.78 2.7325 13.693 376 19 9141 1 2.87 2.4154 13.280 ## Starting information for simulation # 20 ## Starting information for simulation # 21 ## Starting information for simulation # 22 ## Starting information for simulation # 23 ## Starting information for simulation # 24 376 24 528 1 2.72 3.0422 12.406 ## Starting information for simulation # 25 376 25 312 1 2.84 2.8978 11.780 376 25 313 1 2.86 2.4332 11.769 376 25 324 1 2.79 2.8845 11.692 ## Starting information for simulation # 26 ## Starting information for simulation # 27 ## Starting information for simulation # 28 376 28 1350 1 2.65 2.9773 12.496 376 28 1351 1 2.81 3.0202 12.423 376 28 1352 1 2.85 2.7801 12.992 376 28 1353 1 2.76 3.0829 12.780 376 28 1354 1 2.72 3.0339 12.666 376 28 1355 1 2.71 3.0427 12.157 376 28 1356 1 2.98 2.8403 12.543 376 28 1357 1 2.73 3.0662 11.909 376 28 1358 1 2.80 2.8672 11.855 376 28 1359 1 2.68 2.5396 11.702 ## Starting information for simulation # 29 376 29 2349 1 2.91 2.4612 12.564 376 29 3728 1 2.66 2.7146 13.054 376 29 8488 1 3.00 2.4850 12.325 ## Starting information for simulation # 30 376 30 42 1 2.88 2.8767 13.563 376 30 3438 1 2.65 2.8575 12.617 376 30 3439 1 2.71 2.9041 11.697 376 30 3440 1 2.67 2.9076 11.936 376 30 5171 1 2.71 2.2664 11.574 376 30 5251 1 2.70 2.6042 11.882 376 30 5253 1 3.00 2.0075 12.200 376 30 5254 1 2.92 2.8622 11.874 376 30 5255 1 2.77 2.7480 11.005 376 30 5256 1 2.86 2.7874 11.755 376 30 5259 1 2.95 2.3350 11.432 376 30 5261 1 2.94 2.3049 11.838 376 30 5264 1 2.81 2.7024 11.666 376 30 5266 1 2.82 2.9009 11.735 376 30 5267 1 2.99 1.9611 11.958 376 30 5268 1 2.55 2.8123 11.330 376 30 5271 1 2.91 2.1644 12.002 376 30 5274 1 2.88 2.8222 12.230 376 30 5277 1 2.77 3.0549 12.871 376 30 5279 1 2.68 2.5247 12.535 376 30 5949 1 2.76 2.4569 11.071 ## Starting information for simulation # 31 ## Starting information for simulation # 32 376 32 7187 1 2.85 2.3839 11.340 376 32 7750 1 2.84 2.0201 12.475 376 32 7751 1 2.83 2.5911 12.072 376 32 8359 1 2.66 2.9955 12.685 ## Starting information for simulation # 33 ## Starting information for simulation # 34 376 34 4295 1 2.91 2.9546 12.310 376 34 4320 1 2.86 2.4100 13.274 376 34 5686 1 2.90 1.9119 11.948 376 34 6123 1 2.97 2.8842 12.874 ## Starting information for simulation # 35 376 35 1854 1 2.74 2.6725 12.676 376 35 1855 1 2.81 2.9186 12.873 376 35 1856 1 2.68 2.5358 13.093 376 35 1857 1 2.71 2.6069 13.126 376 35 1858 1 2.70 2.7084 12.685 376 35 1859 1 2.87 2.8949 12.885 376 35 1860 1 2.89 2.8614 13.002 376 35 1861 1 2.59 2.4615 12.740 376 35 7128 1 2.93 2.6680 13.582 376 35 7508 1 2.80 2.9727 12.177 376 35 7509 1 2.72 2.8176 11.858 376 35 7520 1 2.84 2.8510 12.545 376 35 7671 1 2.86 2.5442 10.912 ## Starting information for simulation # 36