# Bonding information for index 152 -- 0MA_13@O3 0MA_12@H6O 0MA_12@O6 # 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 # 4 152 4 3644 1 2.82 2.5071 12.704 152 4 3651 1 2.95 2.8338 12.878 152 4 3652 1 2.72 2.9676 12.890 152 4 3653 1 2.70 2.7092 12.551 152 4 3654 1 2.93 2.6602 11.833 152 4 3655 1 2.63 2.7093 12.305 152 4 3656 1 2.64 2.9544 12.475 152 4 3657 1 2.70 2.7471 12.567 152 4 3658 1 2.70 2.9239 12.715 152 4 3670 1 2.98 2.6473 11.965 152 4 3723 1 2.73 1.7822 13.332 152 4 3724 1 2.91 2.6620 13.301 152 4 3743 1 2.89 2.8976 13.091 152 4 3749 1 2.83 1.8021 13.014 152 4 3756 1 2.86 2.8234 13.362 152 4 3759 1 2.68 2.8607 13.022 152 4 3760 1 2.84 2.6008 12.986 152 4 3764 1 2.90 2.4814 13.230 ## Starting information for simulation # 5 ## Starting information for simulation # 6 152 6 1672 1 2.96 2.4153 12.048 152 6 1677 1 2.98 2.4975 11.135 152 6 8042 1 2.94 2.5365 8.909 ## Starting information for simulation # 7 ## Starting information for simulation # 8 ## Starting information for simulation # 9 152 9 1221 1 2.85 2.6602 12.702 152 9 1238 1 2.71 2.7316 12.062 152 9 1239 1 2.68 2.7371 12.581 152 9 4432 1 2.81 2.7529 11.531 152 9 4433 1 2.87 2.9155 11.289 152 9 4434 1 2.81 2.7857 11.612 152 9 4588 1 2.94 2.8432 10.663 152 9 4589 1 2.84 2.7596 10.502 152 9 4590 1 2.74 2.2060 10.860 152 9 4591 1 2.86 2.7962 9.925 152 9 4592 1 2.84 2.2564 10.273 152 9 4593 1 2.78 2.0564 9.726 152 9 4594 1 2.90 1.9120 10.228 152 9 4595 1 2.99 2.5074 10.201 152 9 4596 1 2.93 2.2978 10.630 152 9 4598 1 2.87 1.9310 10.376 152 9 4616 1 2.76 2.7074 10.783 152 9 4617 1 2.87 2.6783 10.776 152 9 4623 1 2.81 2.5018 10.709 152 9 4625 1 2.76 2.9755 10.648 152 9 4705 1 2.92 2.7678 11.080 152 9 4957 1 2.81 2.5248 10.048 152 9 4983 1 2.97 2.0531 10.712 152 9 4992 1 2.79 2.7237 10.366 152 9 4995 1 2.62 3.0970 10.067 152 9 5181 1 2.98 1.8190 10.891 152 9 6309 1 2.99 2.6308 12.546 152 9 6310 1 2.88 2.3031 12.800 152 9 6327 1 2.86 2.6316 12.536 152 9 6329 1 2.91 2.7806 12.215 152 9 6330 1 2.59 2.9837 12.278 152 9 6332 1 2.81 2.9554 12.451 152 9 6333 1 2.97 2.9170 12.504 152 9 6334 1 2.72 2.6131 12.648 152 9 6337 1 2.86 2.5438 12.561 152 9 6338 1 2.54 2.9423 12.196 152 9 6340 1 2.76 2.6556 12.421 152 9 6341 1 2.86 2.7482 12.029 152 9 6376 1 2.76 2.4055 12.082 152 9 6377 1 2.90 1.7985 12.736 152 9 6378 1 2.80 2.2519 12.650 152 9 6401 1 2.66 2.8533 13.047 152 9 6424 1 2.81 2.7233 12.402 152 9 6430 1 2.89 1.8371 12.479 152 9 6635 1 2.66 2.5204 13.042 152 9 6637 1 2.75 2.2938 12.946 152 9 6638 1 2.72 2.7391 12.812 152 9 6639 1 2.96 2.7533 12.715 152 9 6640 1 2.55 2.8237 12.898 152 9 6641 1 2.83 2.6843 12.971 152 9 6642 1 2.70 2.7012 13.268 152 9 6643 1 2.73 2.7822 13.071 152 9 6654 1 2.77 3.0364 12.739 152 9 6655 1 2.74 2.9694 12.432 152 9 6713 1 2.91 2.4692 12.389 152 9 6714 1 2.74 2.6979 12.516 152 9 6757 1 2.87 1.7606 12.338 152 9 6922 1 2.99 2.9707 11.771 152 9 7111 1 2.81 2.6255 12.576 152 9 7247 1 2.90 2.2271 13.267 152 9 7260 1 2.89 2.7740 12.350 152 9 7268 1 2.76 2.7434 13.125 152 9 7502 1 2.82 2.9037 12.472 152 9 7503 1 2.67 2.9390 11.867 152 9 7563 1 2.62 2.8011 12.144 152 9 7567 1 3.00 2.4560 12.796 152 9 7570 1 2.84 2.3729 12.742 152 9 7571 1 2.82 2.9122 12.566 152 9 7572 1 2.82 2.6551 12.538 152 9 7574 1 2.86 2.7153 12.876 152 9 7577 1 2.94 1.9464 12.703 152 9 7578 1 2.69 2.7155 12.821 152 9 7579 1 2.79 2.8374 12.644 152 9 7582 1 2.89 2.7296 12.685 152 9 7585 1 2.85 2.1963 12.772 152 9 7587 1 2.79 2.2487 12.474 152 9 7590 1 2.78 2.1879 12.326 152 9 7636 1 2.98 2.7288 12.449 152 9 7670 1 2.97 2.6342 11.340 152 9 7762 1 2.87 2.7224 12.097 152 9 7765 1 2.93 2.7224 13.082 152 9 7766 1 2.81 2.7469 12.935 152 9 7767 1 2.81 2.8412 12.839 152 9 7768 1 2.98 2.7670 12.290 152 9 7780 1 2.77 2.7118 12.399 152 9 7781 1 2.84 2.9794 12.420 152 9 7784 1 2.59 3.0753 12.157 152 9 7785 1 2.83 2.6518 12.688 152 9 7795 1 2.93 2.9900 12.530 152 9 7796 1 2.95 2.5410 12.868 152 9 7797 1 2.73 2.4884 12.649 152 9 7798 1 2.92 2.1314 12.616 152 9 7799 1 2.77 2.2014 13.166 152 9 7822 1 2.78 2.9987 13.037 152 9 7831 1 2.81 2.6158 12.231 152 9 7877 1 2.93 2.0915 12.739 152 9 7878 1 2.69 2.4529 12.683 152 9 7924 1 2.97 1.7784 12.717 152 9 7978 1 2.97 2.1804 12.041 152 9 7984 1 2.86 2.3516 12.217 152 9 8015 1 2.83 2.3321 12.639 152 9 8017 1 2.92 2.4324 12.844 152 9 8018 1 2.74 2.8348 12.331 152 9 8019 1 2.74 3.0486 12.510 152 9 8054 1 2.97 2.1330 13.172 152 9 8073 1 2.91 2.9568 12.048 152 9 8074 1 2.79 2.9113 12.405 152 9 8075 1 2.81 2.6316 11.419 152 9 8076 1 2.91 3.0111 12.108 152 9 8079 1 2.82 2.3440 11.763 152 9 8082 1 2.74 2.4280 10.692 152 9 8084 1 2.96 2.0190 11.922 152 9 8085 1 2.74 2.5773 11.761 152 9 8087 1 2.96 2.3637 10.462 152 9 8091 1 2.92 1.9835 11.323 152 9 8114 1 2.67 3.0663 12.498 152 9 8115 1 2.87 2.8038 12.579 152 9 8478 1 2.58 2.5162 12.052 152 9 8479 1 2.66 2.8647 12.303 152 9 8480 1 2.68 3.0790 12.514 152 9 8487 1 2.76 1.9945 13.160 152 9 8494 1 2.77 3.0389 12.774 152 9 8495 1 2.86 2.8299 12.819 152 9 8496 1 2.78 2.4332 12.519 152 9 8498 1 2.90 2.7792 12.834 152 9 8499 1 2.92 2.4729 12.088 152 9 8528 1 2.94 2.5067 11.133 152 9 8618 1 2.64 2.6098 12.175 152 9 8619 1 2.84 2.6128 12.428 152 9 8620 1 2.80 2.2575 12.654 152 9 8628 1 2.94 2.9295 12.601 152 9 8651 1 2.85 2.5989 12.114 152 9 8961 1 2.76 2.0684 13.113 152 9 8962 1 2.80 2.4032 13.058 152 9 8963 1 2.75 2.6290 12.922 152 9 8971 1 2.80 3.0171 13.407 152 9 8972 1 2.85 2.5185 12.958 152 9 8973 1 2.72 2.6608 12.615 152 9 8988 1 2.86 2.9576 13.090 152 9 8989 1 2.95 2.5145 13.225 152 9 8991 1 2.96 2.7542 12.600 152 9 8992 1 2.70 2.8965 12.655 152 9 8993 1 2.79 2.4844 12.616 152 9 8994 1 2.90 2.6850 11.637 152 9 9106 1 2.67 2.4554 10.504 152 9 9108 1 2.83 2.8967 12.049 152 9 9110 1 2.88 1.9249 11.587 152 9 9112 1 2.87 2.9072 11.248 152 9 9113 1 2.94 2.7182 11.446 152 9 9119 1 2.86 2.5443 11.010 152 9 9120 1 2.99 2.8472 10.914 152 9 9121 1 2.89 2.7184 11.231 152 9 9123 1 2.74 2.8403 11.068 152 9 9131 1 2.81 2.5340 12.721 152 9 9192 1 2.89 1.8919 12.223 152 9 9193 1 2.96 2.5653 12.063 152 9 9232 1 2.79 2.6621 9.536 152 9 9250 1 2.75 2.7691 9.758 152 9 9251 1 2.71 2.7240 9.838 152 9 9275 1 2.98 2.8479 10.111 152 9 9277 1 2.84 2.3750 9.816 152 9 9298 1 2.95 2.7693 10.242 152 9 9318 1 2.65 2.8606 9.477 152 9 9325 1 2.89 2.5346 10.012 152 9 9326 1 2.91 2.9509 10.028 152 9 9327 1 2.82 2.6313 10.381 152 9 9328 1 2.84 2.1730 9.909 152 9 9329 1 2.86 2.7957 9.685 152 9 9331 1 2.79 2.6555 9.857 152 9 9332 1 2.90 2.7934 9.623 152 9 9335 1 2.65 2.5365 10.003 152 9 9336 1 2.74 2.5113 9.698 152 9 9337 1 2.78 2.5773 9.785 152 9 9338 1 2.77 2.4823 10.124 152 9 9339 1 2.78 2.6638 9.672 152 9 9340 1 2.93 2.6574 9.130 152 9 9341 1 2.73 2.8193 9.589 152 9 9342 1 2.84 2.6781 9.977 152 9 9348 1 2.99 2.0040 10.419 152 9 9376 1 2.97 2.9322 9.825 152 9 9410 1 2.75 2.5906 9.668 152 9 9439 1 2.89 2.7723 10.867 152 9 9440 1 2.85 2.6731 9.595 152 9 9441 1 2.74 2.6323 10.189 152 9 9442 1 2.69 2.5985 9.946 152 9 9443 1 2.78 2.9004 8.516 152 9 9444 1 2.66 2.8147 9.686 152 9 9445 1 2.87 2.7399 9.517 152 9 9446 1 2.66 2.9640 10.280 152 9 9521 1 2.86 2.9555 9.378 152 9 9524 1 2.97 2.5952 9.563 152 9 9525 1 2.72 3.0543 9.555 152 9 9526 1 2.85 2.8714 9.689 ## Starting information for simulation # 10 ## Starting information for simulation # 11 152 11 3050 1 2.76 2.3333 12.097 152 11 3209 1 2.88 2.5590 11.455 152 11 3210 1 2.98 2.7199 11.722 152 11 3211 1 2.84 2.5203 11.781 152 11 3212 1 2.67 2.8450 12.253 152 11 3213 1 2.85 3.0013 11.824 152 11 3214 1 2.72 2.6482 12.008 152 11 3215 1 2.68 2.6700 12.478 152 11 7298 1 2.84 2.8096 13.523 152 11 7580 1 2.80 2.7842 12.481 ## Starting information for simulation # 12 152 12 2458 1 2.80 2.6915 8.632 ## Starting information for simulation # 13 152 13 1678 1 2.82 2.6887 12.224 152 13 1682 1 2.90 2.8268 11.864 152 13 5321 1 2.73 2.7374 11.889 152 13 5322 1 2.69 2.9305 12.226 152 13 5324 1 2.69 2.4225 11.839 ## Starting information for simulation # 14 152 14 1037 1 2.87 2.4896 11.387 152 14 1052 1 2.88 2.4110 10.246 152 14 1060 1 2.94 1.9734 10.181 152 14 1118 1 2.85 2.5534 11.124 152 14 1119 1 2.85 2.5679 11.212 152 14 1141 1 2.72 2.5837 12.200 152 14 1241 1 2.64 2.3708 11.118 152 14 1279 1 2.93 2.8378 10.810 152 14 1281 1 2.80 2.7454 11.220 152 14 1289 1 2.75 2.5047 11.625 152 14 1430 1 2.86 2.4685 11.066 152 14 1431 1 2.62 2.5791 11.433 152 14 1432 1 2.87 2.6601 11.459 152 14 1434 1 2.66 2.0997 11.206 152 14 1435 1 2.83 2.8672 10.995 152 14 1451 1 2.73 2.7511 11.260 152 14 2131 1 2.76 2.6354 11.986 152 14 2132 1 2.86 2.4053 12.140 152 14 2133 1 2.69 2.7592 12.293 ## Starting information for simulation # 15 ## Starting information for simulation # 16 ## Starting information for simulation # 17 ## Starting information for simulation # 18 ## Starting information for simulation # 19 152 19 9731 1 2.68 2.5243 12.025 152 19 9732 1 2.66 2.9642 11.675 152 19 9733 1 2.85 2.7573 11.962 152 19 9736 1 2.81 2.1190 11.744 152 19 9745 1 2.87 2.9191 11.599 152 19 9746 1 2.66 2.9458 11.839 152 19 9747 1 2.67 2.9706 11.561 152 19 9748 1 2.78 2.7239 11.100 152 19 9749 1 2.56 2.6841 11.259 152 19 9750 1 2.61 2.9754 11.252 152 19 9751 1 2.91 2.9905 11.409 152 19 9752 1 2.94 2.7588 12.155 152 19 9753 1 2.93 2.9131 11.961 152 19 9768 1 2.65 2.7376 11.529 152 19 9769 1 2.99 2.8532 11.994 152 19 9770 1 2.76 2.7759 11.165 152 19 9772 1 2.77 2.7117 10.677 152 19 9773 1 2.83 2.8986 11.479 152 19 9774 1 2.84 2.8384 11.324 152 19 9775 1 2.99 2.8294 10.945 152 19 9782 1 2.80 2.8996 11.202 152 19 9783 1 2.66 3.0238 12.206 152 19 9784 1 2.72 2.8104 11.809 152 19 9785 1 2.70 2.8198 11.961 152 19 9786 1 2.71 2.8666 11.348 152 19 9787 1 2.79 2.6085 11.250 152 19 9788 1 2.79 3.0004 12.022 152 19 9789 1 2.63 2.4562 10.653 152 19 9790 1 2.76 2.8966 10.916 152 19 9804 1 2.87 1.7621 11.238 ## Starting information for simulation # 20 ## Starting information for simulation # 21 152 21 1329 1 2.89 2.3121 7.848 152 21 2395 1 2.80 2.8380 8.736 152 21 2396 1 2.50 2.7626 8.192 152 21 2397 1 2.72 2.6477 8.515 152 21 2400 1 2.83 2.6619 8.397 152 21 2401 1 2.79 2.3872 8.107 152 21 2407 1 2.99 2.2960 9.006 152 21 2408 1 2.78 2.5480 9.451 152 21 2711 1 2.84 2.7609 7.337 152 21 2756 1 2.82 2.4269 8.260 152 21 2757 1 2.85 3.0809 7.234 152 21 2759 1 2.85 2.8253 8.584 152 21 6433 1 2.82 3.0304 8.490 152 21 7132 1 2.98 2.8771 8.896 152 21 7354 1 2.74 2.3249 9.796 152 21 7904 1 2.94 2.2293 9.287 152 21 8232 1 2.89 1.8981 9.558 152 21 8857 1 2.84 2.5727 6.028 152 21 9463 1 2.90 2.5493 7.919 152 21 9470 1 2.91 1.7958 8.047 152 21 9471 1 2.76 2.5207 8.115 152 21 9473 1 2.66 2.6739 8.393 152 21 9481 1 2.90 2.1696 8.295 152 21 9482 1 2.73 2.0446 8.069 152 21 9499 1 2.69 2.7147 8.994 152 21 9500 1 2.69 2.4139 8.735 ## Starting information for simulation # 22 152 22 7250 1 2.68 2.7631 12.117 152 22 7251 1 2.82 2.4219 12.938 152 22 7347 1 2.73 2.6209 11.895 152 22 7371 1 2.64 2.7566 12.056 152 22 9165 1 2.92 2.7047 12.541 152 22 9172 1 2.71 2.7722 12.356 152 22 9173 1 2.68 2.5741 12.391 152 22 9174 1 2.73 2.8755 12.225 152 22 9175 1 2.68 2.8368 12.610 152 22 9177 1 2.98 2.7637 12.633 152 22 9181 1 2.83 3.0573 11.888 152 22 9186 1 2.90 2.7897 12.232 ## Starting information for simulation # 23 ## Starting information for simulation # 24 152 24 152 1 2.85 2.4746 12.597 152 24 2932 1 2.88 1.9827 10.787 152 24 3148 1 2.94 2.0647 12.332 152 24 5959 1 2.92 2.0534 13.004 152 24 5960 1 2.88 2.5724 12.052 152 24 7483 1 2.83 2.5835 12.372 152 24 7500 1 2.90 2.9201 11.852 152 24 7502 1 2.70 2.7871 12.242 152 24 7503 1 2.95 2.6430 13.124 152 24 7514 1 2.71 3.0292 12.429 152 24 7515 1 2.81 2.6637 12.449 152 24 7517 1 2.76 2.3719 12.504 152 24 7520 1 2.91 2.7992 12.726 152 24 7861 1 2.98 2.5942 12.247 152 24 8215 1 2.98 2.6976 12.792 152 24 8218 1 2.77 2.2311 12.637 152 24 8219 1 2.74 2.7220 13.229 152 24 8220 1 2.88 3.0003 12.918 152 24 8223 1 2.88 2.9080 12.196 ## Starting information for simulation # 25 152 25 4643 1 2.95 2.7024 12.085 152 25 4644 1 2.89 2.7317 12.147 152 25 4688 1 2.67 2.7576 11.698 152 25 4690 1 2.87 2.9150 12.128 152 25 4691 1 2.98 1.8764 11.771 152 25 4698 1 2.95 1.7616 11.365 152 25 5016 1 2.71 2.9819 12.459 152 25 5017 1 2.92 2.4561 12.278 152 25 5251 1 2.80 2.9530 11.301 152 25 5252 1 2.58 2.6813 11.257 152 25 5276 1 2.98 2.8024 11.918 ## Starting information for simulation # 26 ## Starting information for simulation # 27 152 27 3984 1 2.85 2.9272 9.671 152 27 3985 1 2.71 2.9834 9.664 ## Starting information for simulation # 28 ## Starting information for simulation # 29 ## Starting information for simulation # 30 152 30 477 1 2.82 2.5833 12.168 152 30 1281 1 2.67 2.8518 12.061 152 30 1282 1 2.68 2.6347 12.024 152 30 1299 1 2.81 2.6129 12.111 152 30 3035 1 2.69 3.0334 11.563 152 30 3111 1 2.80 2.8788 11.940 152 30 3112 1 2.73 2.9845 12.136 152 30 3113 1 2.60 2.7425 11.624 152 30 3114 1 2.89 2.4160 12.398 152 30 3118 1 2.69 2.6909 12.911 152 30 3119 1 2.85 2.5907 12.740 152 30 3120 1 2.83 2.5689 11.777 ## Starting information for simulation # 31 ## Starting information for simulation # 32 ## Starting information for simulation # 33 152 33 2429 1 2.77 2.6065 12.890 ## Starting information for simulation # 34 ## Starting information for simulation # 35 ## Starting information for simulation # 36