# Bonding information for index 251 -- 0MA_14@O2 0MA_12@H4O 0MA_12@O4 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 ## Starting information for simulation # 3 ## Starting information for simulation # 4 ## Starting information for simulation # 5 ## Starting information for simulation # 6 251 6 9065 1 2.80 2.8180 10.124 ## Starting information for simulation # 7 251 7 2922 1 2.87 2.5057 10.269 251 7 2924 1 2.90 2.3171 9.894 251 7 2950 1 2.76 2.4145 11.401 251 7 3056 1 2.78 2.3719 10.721 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 ## Starting information for simulation # 12 ## Starting information for simulation # 13 ## Starting information for simulation # 14 ## Starting information for simulation # 15 ## Starting information for simulation # 16 ## Starting information for simulation # 17 ## Starting information for simulation # 18 ## Starting information for simulation # 19 ## Starting information for simulation # 20 ## Starting information for simulation # 21 ## Starting information for simulation # 22 251 22 9218 1 2.98 1.9686 11.865 251 22 9592 1 2.99 2.5241 12.555 251 22 9593 1 2.70 2.5879 12.147 251 22 9594 1 2.81 2.6811 12.152 251 22 9596 1 2.81 2.8920 11.741 251 22 9598 1 2.64 2.6032 12.606 ## Starting information for simulation # 23 ## Starting information for simulation # 24 251 24 1047 1 2.86 2.4625 11.802 251 24 1051 1 2.87 2.5249 11.116 251 24 1053 1 2.79 2.7142 12.072 251 24 1054 1 2.94 2.4691 12.475 251 24 3865 1 2.68 2.6347 12.421 251 24 4227 1 2.84 2.8029 11.808 251 24 4228 1 2.57 2.6597 11.760 ## Starting information for simulation # 25 251 25 124 1 2.77 2.5108 11.077 251 25 288 1 2.99 2.8547 11.582 251 25 292 1 2.98 2.5653 11.689 251 25 293 1 2.66 2.7695 11.925 251 25 296 1 2.70 2.7191 12.219 251 25 298 1 2.70 3.1049 12.053 251 25 299 1 2.92 2.7094 12.242 251 25 300 1 2.70 2.9325 11.678 251 25 301 1 2.74 2.6121 12.175 251 25 302 1 2.93 2.8698 11.802 251 25 303 1 2.78 2.5352 12.084 251 25 307 1 2.87 3.0355 11.300 251 25 308 1 2.77 2.9016 11.060 251 25 313 1 2.68 2.8837 11.769 251 25 314 1 2.94 1.9860 11.402 251 25 315 1 2.83 3.0666 11.878 251 25 317 1 2.77 2.7876 12.020 251 25 321 1 2.61 2.8217 11.427 251 25 322 1 2.69 2.9813 11.975 ## Starting information for simulation # 26 ## Starting information for simulation # 27 ## Starting information for simulation # 28 ## Starting information for simulation # 29 ## Starting information for simulation # 30 ## Starting information for simulation # 31 251 31 4352 1 2.74 2.7190 11.800 251 31 4354 1 2.91 2.5811 11.960 251 31 4355 1 2.96 2.7461 12.183 251 31 4441 1 2.97 2.9121 11.308 251 31 4442 1 2.90 3.0437 11.599 251 31 4443 1 2.72 2.9303 11.378 251 31 4444 1 2.60 2.6421 11.575 251 31 4445 1 2.87 2.8112 11.408 251 31 4449 1 2.77 2.8661 11.677 251 31 4451 1 2.86 2.3841 12.362 251 31 4452 1 2.81 2.7538 11.956 251 31 4454 1 2.88 2.3876 11.761 251 31 4456 1 2.61 3.0988 11.854 251 31 4457 1 2.70 2.8056 11.482 251 31 4458 1 2.80 2.9623 11.787 251 31 5678 1 2.93 2.6515 12.833 251 31 5680 1 2.97 2.7486 12.220 251 31 5700 1 2.88 2.8867 12.095 251 31 5701 1 2.68 3.0469 12.308 251 31 5705 1 2.82 2.9862 12.550 251 31 5706 1 2.67 2.8906 12.458 251 31 5707 1 2.82 2.7033 12.783 251 31 5708 1 2.97 2.9438 12.614 251 31 5709 1 2.85 2.7160 12.873 251 31 5717 1 2.86 2.8151 12.434 251 31 5718 1 2.92 2.5199 12.244 251 31 5748 1 2.77 3.0289 12.394 251 31 5853 1 2.76 2.9103 12.962 251 31 7607 1 2.83 2.9283 12.610 ## Starting information for simulation # 32 ## Starting information for simulation # 33 ## Starting information for simulation # 34 251 34 5923 1 2.84 2.6647 14.397 251 34 6178 1 2.84 2.9350 11.529 251 34 6180 1 2.75 2.6421 12.653 251 34 6181 1 2.61 2.7926 12.645 251 34 6182 1 2.98 2.6198 12.214 251 34 6659 1 2.78 3.0564 14.279 251 34 6660 1 2.68 2.9518 14.050 251 34 6661 1 2.97 2.8338 13.906 251 34 6663 1 2.82 2.1475 13.983 251 34 6664 1 2.81 2.5339 14.583 251 34 6665 1 2.60 2.7897 14.324 251 34 6666 1 2.66 2.7272 14.004 251 34 6789 1 2.86 1.8210 14.483 251 34 6838 1 2.99 2.8406 14.369 251 34 6839 1 2.84 2.5096 13.668 251 34 6840 1 2.86 2.6863 13.809 251 34 6841 1 2.89 2.5238 14.018 251 34 7515 1 2.71 2.5409 13.841 251 34 7532 1 2.69 2.5778 13.395 251 34 7535 1 2.76 2.6216 13.848 251 34 7536 1 2.93 2.6193 13.644 251 34 7644 1 2.74 2.6379 12.302 251 34 7656 1 2.99 2.8238 11.368 251 34 7667 1 2.95 2.5478 11.889 251 34 7668 1 2.88 2.8095 12.458 251 34 7673 1 2.82 2.1945 12.992 251 34 7676 1 2.80 3.0078 13.538 251 34 7678 1 2.88 2.6602 13.580 251 34 7695 1 2.89 1.7518 12.921 251 34 7701 1 2.59 2.8050 12.707 251 34 7704 1 2.93 2.9490 13.043 251 34 7710 1 2.82 2.1224 13.572 251 34 7711 1 2.81 2.4140 13.578 251 34 7712 1 2.85 2.7579 13.455 251 34 7713 1 2.87 2.3805 13.578 251 34 7715 1 2.84 2.6928 12.766 251 34 7719 1 2.86 2.6059 13.708 251 34 7721 1 2.74 2.7636 13.408 251 34 7723 1 2.72 3.0724 13.243 251 34 8012 1 2.74 2.7061 13.744 251 34 8013 1 2.92 2.8637 14.456 251 34 8023 1 2.91 2.8211 13.033 251 34 8025 1 2.80 2.5783 13.423 251 34 8026 1 2.77 2.8332 13.216 251 34 8027 1 2.91 2.6392 12.719 251 34 8028 1 2.85 2.8954 13.455 251 34 8052 1 2.67 2.5449 12.298 251 34 8053 1 2.73 2.8101 13.063 251 34 8054 1 2.93 2.7045 13.307 251 34 8055 1 2.98 2.5893 13.420 251 34 8056 1 2.98 2.3232 13.591 251 34 8057 1 2.66 2.8587 13.309 251 34 8092 1 2.86 2.6707 13.709 251 34 8093 1 2.99 2.5950 13.656 251 34 8274 1 2.94 2.7021 12.830 251 34 8275 1 2.62 2.4669 12.924 251 34 8285 1 2.93 2.4959 13.655 251 34 8286 1 2.80 2.7543 13.520 251 34 8287 1 2.90 2.8480 12.853 251 34 8547 1 2.84 1.9587 12.636 251 34 8716 1 2.94 2.8356 14.264 251 34 8827 1 2.98 2.2929 13.716 251 34 8982 1 2.98 2.0222 12.179 251 34 9247 1 2.66 2.4124 13.893 251 34 9248 1 2.68 2.8264 13.658 251 34 9249 1 2.73 2.6741 13.468 251 34 9254 1 2.87 2.4922 12.701 251 34 9262 1 2.85 2.3110 13.427 251 34 9268 1 2.77 2.5422 13.357 251 34 9270 1 2.97 2.5146 13.317 251 34 9298 1 2.84 2.3880 12.831 251 34 9303 1 2.81 2.6351 13.020 251 34 9304 1 2.93 2.4019 13.711 251 34 9305 1 2.81 2.1406 12.934 251 34 9311 1 2.83 2.9173 13.000 251 34 9313 1 2.80 2.6499 13.365 251 34 9694 1 2.82 2.7137 12.526 251 34 9705 1 2.68 2.8985 11.493 251 34 9714 1 2.98 2.8264 12.048 251 34 9728 1 2.86 2.5742 12.929 251 34 9729 1 2.77 2.5514 13.039 251 34 9732 1 2.63 2.6273 12.561 251 34 9734 1 2.91 2.3565 13.672 251 34 9736 1 3.00 2.6913 13.503 251 34 9741 1 2.70 2.9279 13.732 251 34 9742 1 2.81 2.4082 13.429 251 34 9763 1 2.90 2.6330 11.359 251 34 9925 1 2.77 2.6612 12.527 251 34 9927 1 2.87 2.8961 13.252 251 34 9979 1 2.89 2.2684 12.022 251 34 9986 1 2.62 2.6017 12.442 251 34 9987 1 2.89 2.3381 12.707 251 34 9988 1 2.89 2.0583 12.039 251 34 10003 1 2.80 2.6771 12.075 251 34 10009 1 2.88 2.8268 13.075 251 34 10012 1 2.83 2.5695 12.852 251 34 10014 1 2.76 2.7850 11.965 251 34 10017 1 2.78 2.6785 12.113 251 34 10018 1 2.72 2.5842 12.166 251 34 10021 1 2.66 2.2402 11.378 251 34 10038 1 2.87 1.8657 11.671 251 34 10039 1 2.96 2.6616 12.283 251 34 10041 1 2.70 2.8584 12.736 251 34 10044 1 2.84 2.7103 13.008 251 34 10046 1 2.68 2.6429 12.797 251 34 10050 1 2.68 2.6724 13.196 251 34 10051 1 2.81 2.7938 13.206 251 34 10057 1 2.92 2.5542 13.279 251 34 10058 1 2.78 2.8895 12.693 251 34 10061 1 2.87 2.4373 12.359 251 34 10065 1 2.86 2.8032 12.314 251 34 10074 1 2.72 2.6006 13.022 251 34 10078 1 2.80 2.5370 12.706 251 34 10085 1 2.86 2.5098 13.070 251 34 10087 1 2.99 2.5685 13.086 251 34 10088 1 2.82 2.8435 13.339 251 34 10089 1 2.89 2.7126 13.309 251 34 10090 1 2.85 2.9077 13.599 251 34 10091 1 2.93 2.4768 13.697 251 34 10092 1 2.75 2.6267 13.822 251 34 10093 1 2.99 2.8032 13.368 251 34 10408 1 2.75 2.9736 12.959 251 34 10409 1 2.96 2.8349 13.564 ## Starting information for simulation # 35 ## Starting information for simulation # 36