# Bonding information for index 200 -- 0MA_13@O5 0MA_12@H3O 0MA_12@O3 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 ## Starting information for simulation # 3 200 3 3145 1 2.77 3.0216 12.573 200 3 3818 1 2.94 3.0854 10.357 200 3 3819 1 2.64 2.5944 10.737 200 3 3820 1 2.89 2.5686 10.670 200 3 3822 1 2.97 2.6105 10.549 200 3 3950 1 2.98 2.8948 11.434 200 3 4242 1 2.69 3.0550 12.352 200 3 4244 1 2.64 2.2483 12.422 200 3 4245 1 2.71 2.9331 12.556 200 3 4248 1 2.84 2.3562 12.476 200 3 4249 1 2.87 2.9691 11.736 200 3 4250 1 2.78 2.9514 12.023 200 3 5933 1 2.85 2.6359 9.944 200 3 5934 1 2.55 2.9339 10.009 200 3 5935 1 2.88 2.3320 10.288 200 3 5948 1 2.89 2.7463 10.476 200 3 5950 1 2.75 2.5249 9.865 200 3 5953 1 2.76 3.0596 10.523 200 3 6015 1 2.79 2.6123 10.242 200 3 6017 1 2.61 2.1875 10.258 200 3 6019 1 2.57 2.6966 9.884 200 3 6020 1 2.93 2.9798 9.938 200 3 6021 1 2.73 2.7726 10.239 200 3 6022 1 2.81 2.3224 10.345 200 3 6026 1 2.94 2.4995 10.308 200 3 6027 1 2.65 2.9625 10.230 200 3 6030 1 2.98 2.7603 9.508 200 3 6074 1 2.97 2.2409 9.792 200 3 6076 1 2.95 2.7622 10.074 200 3 6096 1 2.64 2.7296 10.830 200 3 6258 1 2.88 2.1998 9.960 200 3 6259 1 2.92 2.5549 10.270 200 3 6344 1 2.82 2.6615 9.514 200 3 6345 1 2.81 2.5023 10.091 200 3 6346 1 2.93 3.0289 10.153 200 3 6385 1 2.93 2.8785 10.631 200 3 6389 1 2.80 2.4215 10.631 200 3 6390 1 2.96 2.9470 10.184 200 3 6642 1 2.84 2.0128 11.051 200 3 6643 1 2.66 3.0091 10.955 200 3 6653 1 2.91 2.7261 10.418 200 3 6656 1 3.00 2.9695 11.030 200 3 6657 1 2.90 2.7699 11.293 200 3 6658 1 2.73 2.9213 10.480 200 3 6659 1 2.82 2.8548 10.426 200 3 6660 1 2.82 2.6790 10.471 200 3 7032 1 2.82 2.8107 10.594 200 3 7198 1 2.73 2.7155 10.545 200 3 7201 1 2.70 2.5112 10.591 200 3 7202 1 2.92 2.7499 10.447 200 3 7441 1 2.82 2.9916 9.971 200 3 7887 1 2.91 2.7554 9.903 200 3 7892 1 2.63 2.7745 9.178 200 3 8125 1 2.84 2.0912 10.968 200 3 8126 1 2.67 2.6418 11.204 200 3 8129 1 2.78 2.3866 10.677 200 3 8130 1 2.97 2.4472 11.651 200 3 8131 1 2.66 2.3999 10.839 200 3 8132 1 2.92 2.1062 10.224 200 3 8276 1 2.76 3.0582 6.837 200 3 8292 1 2.84 2.1993 7.421 200 3 8330 1 2.81 2.8862 7.657 200 3 8331 1 2.87 2.9446 7.344 200 3 8332 1 2.97 2.2597 7.537 200 3 8349 1 2.93 2.0173 7.483 200 3 8351 1 2.59 2.9154 8.028 200 3 8352 1 2.97 2.6382 7.945 200 3 8534 1 2.79 2.6703 10.449 200 3 9358 1 2.68 2.2866 10.411 ## Starting information for simulation # 4 ## Starting information for simulation # 5 ## Starting information for simulation # 6 200 6 2 1 2.69 2.9429 13.012 200 6 3 1 2.64 2.3636 13.191 200 6 4 1 3.00 2.9011 12.678 200 6 5 1 2.91 3.0070 12.363 200 6 19 1 2.95 2.7739 12.986 200 6 162 1 2.88 2.6516 12.756 ## Starting information for simulation # 7 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 200 11 6609 1 2.92 2.8644 13.155 200 11 6610 1 2.97 2.4072 13.099 200 11 6613 1 2.89 2.2128 12.584 200 11 6614 1 2.68 2.8812 13.492 200 11 6615 1 2.87 3.0124 13.385 200 11 6617 1 2.95 2.0508 13.103 ## Starting information for simulation # 12 ## Starting information for simulation # 13 ## Starting information for simulation # 14 200 14 94 1 2.68 2.2267 11.130 200 14 271 1 2.66 3.0761 11.493 ## Starting information for simulation # 15 200 15 8037 1 2.89 2.7827 11.585 200 15 8038 1 2.92 2.5353 11.284 200 15 8039 1 2.99 2.3588 11.739 200 15 8045 1 2.89 2.4672 11.214 200 15 8273 1 2.77 2.9852 11.332 200 15 8415 1 2.70 2.5356 12.197 200 15 8461 1 2.81 2.5424 11.585 200 15 8463 1 2.80 2.8513 12.082 200 15 8464 1 2.68 2.8133 11.363 200 15 8465 1 2.79 2.5074 12.422 200 15 8467 1 2.84 3.1224 12.397 200 15 8468 1 2.89 2.9238 12.317 ## Starting information for simulation # 16 ## Starting information for simulation # 17 200 17 5596 1 2.66 2.9451 11.235 200 17 5597 1 2.83 2.4994 11.249 200 17 6148 1 2.70 2.6222 11.507 200 17 6149 1 3.00 1.7487 10.786 200 17 6219 1 2.87 2.6441 8.717 200 17 6946 1 2.85 2.4135 6.516 200 17 6949 1 2.68 1.7929 7.263 200 17 6950 1 2.82 2.8338 7.788 200 17 7337 1 2.89 2.4165 10.158 200 17 7344 1 2.92 2.5592 10.729 200 17 7345 1 2.91 2.2799 9.555 200 17 7351 1 2.97 2.0025 8.834 ## Starting information for simulation # 18 200 18 7662 1 2.93 2.2970 10.798 200 18 7665 1 2.68 3.0017 11.822 200 18 7666 1 2.73 2.6368 12.000 200 18 7667 1 2.92 2.8181 11.774 200 18 7668 1 2.77 2.9015 11.499 200 18 7669 1 2.89 2.3737 11.595 200 18 7670 1 2.67 3.0688 11.502 200 18 7675 1 2.92 1.9267 11.028 200 18 7676 1 2.77 2.6786 11.245 200 18 7679 1 2.58 2.5378 11.066 200 18 7680 1 2.83 2.9038 11.187 200 18 7683 1 2.72 2.4889 11.659 200 18 7684 1 2.77 2.9752 11.887 200 18 7685 1 2.77 2.9255 11.959 200 18 7692 1 2.91 2.1232 11.450 ## Starting information for simulation # 19 ## Starting information for simulation # 20 ## Starting information for simulation # 21 ## Starting information for simulation # 22 200 22 753 1 2.82 1.8183 11.978 200 22 2131 1 2.71 2.3718 13.206 200 22 2135 1 2.73 2.4650 12.599 200 22 2316 1 2.88 3.0784 12.615 200 22 2439 1 3.00 2.9279 12.236 200 22 2626 1 2.68 2.6442 11.663 200 22 2650 1 2.89 2.9034 11.671 200 22 3471 1 2.83 2.3267 11.297 200 22 3639 1 2.98 2.9223 11.124 200 22 3644 1 2.65 2.5090 11.075 200 22 3667 1 2.84 2.8968 10.824 200 22 3670 1 2.89 1.8464 10.744 200 22 4014 1 2.77 2.6083 11.735 200 22 4015 1 2.76 2.4747 11.730 200 22 4016 1 2.71 2.4728 11.568 ## Starting information for simulation # 23 200 23 146 1 2.78 2.6927 11.570 200 23 147 1 2.83 2.8262 11.364 200 23 160 1 2.93 2.2166 12.693 200 23 171 1 2.71 2.8164 11.620 200 23 178 1 2.75 2.8457 11.346 200 23 184 1 2.90 2.3318 11.703 200 23 186 1 2.79 2.4884 11.277 200 23 190 1 2.97 2.4636 12.028 200 23 196 1 2.98 2.0159 11.198 200 23 197 1 2.72 2.2127 11.217 200 23 201 1 2.97 2.1447 11.372 200 23 207 1 2.84 2.8145 11.703 200 23 213 1 2.97 2.9183 11.348 200 23 216 1 2.79 2.1108 11.521 200 23 219 1 2.71 2.9658 11.290 200 23 220 1 2.69 2.7644 11.270 200 23 221 1 2.94 2.8503 11.768 200 23 223 1 2.91 1.9456 11.277 200 23 230 1 2.89 2.7973 11.260 200 23 231 1 2.97 2.7259 11.182 200 23 241 1 2.69 2.7061 10.752 200 23 244 1 2.82 2.7798 11.054 200 23 326 1 2.83 2.6619 11.145 200 23 328 1 2.86 2.6102 11.432 200 23 329 1 2.73 2.8865 11.250 200 23 339 1 2.96 2.6197 11.581 200 23 344 1 2.65 2.7999 10.659 200 23 346 1 2.82 2.1014 10.777 200 23 349 1 2.70 2.7476 10.350 200 23 350 1 2.79 2.8448 10.761 200 23 358 1 2.91 2.3286 11.041 200 23 361 1 2.87 2.2716 10.824 200 23 363 1 2.59 2.6968 10.634 200 23 364 1 2.91 2.8284 10.822 200 23 367 1 2.96 2.5418 10.013 200 23 3769 1 2.70 3.0384 12.256 200 23 3770 1 2.73 2.9322 12.023 200 23 3772 1 2.94 2.6913 12.130 200 23 3773 1 2.66 2.8553 12.519 200 23 3775 1 2.76 2.5229 12.846 200 23 3778 1 2.94 2.7516 12.943 200 23 3782 1 2.82 2.5691 11.531 200 23 3783 1 2.72 2.1592 11.702 200 23 3784 1 2.87 2.7176 12.308 200 23 3789 1 2.80 2.7424 12.009 200 23 3794 1 2.88 2.8859 11.704 200 23 3813 1 2.84 3.0394 11.719 200 23 4459 1 2.68 2.7489 10.562 200 23 4460 1 2.85 2.6975 10.372 200 23 4461 1 2.85 2.5392 10.879 200 23 4503 1 2.68 2.5396 8.369 200 23 4628 1 2.79 2.9082 10.383 200 23 4630 1 2.96 2.5943 10.018 200 23 4631 1 2.86 2.0657 10.517 200 23 4633 1 2.91 2.3696 11.063 200 23 4636 1 2.70 2.0839 10.855 ## Starting information for simulation # 24 ## Starting information for simulation # 25 200 25 9646 1 2.83 2.8099 11.619 200 25 9683 1 2.88 3.0200 12.502 200 25 9686 1 2.83 2.8667 11.668 200 25 9742 1 2.81 2.7959 11.475 200 25 9743 1 2.77 2.9243 11.397 ## Starting information for simulation # 26 ## Starting information for simulation # 27 ## Starting information for simulation # 28 200 28 1715 1 2.79 2.9615 13.353 200 28 1763 1 2.94 2.8735 13.131 200 28 1792 1 2.85 1.8632 12.244 200 28 1796 1 2.64 2.8323 11.953 200 28 1797 1 2.72 2.2474 12.142 200 28 1810 1 2.86 2.3242 11.887 200 28 2663 1 2.84 2.9213 12.456 200 28 2881 1 2.89 2.2471 12.400 200 28 2889 1 2.86 2.9716 12.682 200 28 2890 1 2.95 2.3045 12.519 200 28 2891 1 2.97 3.0004 12.399 200 28 2928 1 2.74 2.6629 13.029 200 28 4622 1 2.70 2.9645 11.019 200 28 4636 1 2.95 1.7966 11.884 200 28 5024 1 2.90 2.8642 11.253 200 28 5026 1 2.89 2.5442 11.549 200 28 5028 1 2.82 2.8343 11.969 200 28 5053 1 2.88 2.1022 11.689 200 28 5055 1 2.93 2.0878 11.380 200 28 5057 1 2.90 2.7092 11.272 200 28 5199 1 2.92 2.7904 9.697 200 28 5200 1 2.75 2.7573 9.824 200 28 5202 1 2.82 3.0533 9.825 200 28 5220 1 2.86 2.9645 9.312 200 28 5524 1 2.68 2.8286 11.052 200 28 5534 1 2.66 2.8606 10.349 200 28 5619 1 2.85 2.6116 10.791 200 28 5742 1 2.90 1.9536 11.336 200 28 6504 1 2.65 2.9927 11.532 200 28 6509 1 2.71 2.7898 11.777 200 28 6723 1 2.98 2.8224 10.418 200 28 6724 1 2.99 3.0945 9.276 200 28 6728 1 2.91 2.9569 10.652 200 28 6942 1 2.85 2.5907 12.011 200 28 7123 1 2.64 2.7749 11.054 200 28 7701 1 2.79 2.4995 12.049 200 28 8529 1 2.62 2.7218 11.678 200 28 8531 1 2.88 2.0334 12.129 ## Starting information for simulation # 29 200 29 8979 1 2.70 2.5715 12.400 200 29 9109 1 2.81 2.6263 12.194 200 29 9310 1 2.56 2.8979 11.370 200 29 9315 1 2.95 2.8223 11.902 ## Starting information for simulation # 30 200 30 4109 1 2.98 2.7705 12.070 ## Starting information for simulation # 31 200 31 7517 1 2.97 2.0732 12.541 200 31 9456 1 2.94 2.9715 12.159 200 31 9458 1 2.92 3.0570 11.897 200 31 9459 1 2.86 2.7332 12.076 200 31 9475 1 2.88 2.7017 12.175 200 31 9476 1 2.70 2.7457 12.734 200 31 9495 1 2.91 2.4063 12.375 200 31 9497 1 2.59 2.8767 12.130 200 31 9851 1 3.00 2.5570 13.323 200 31 9855 1 2.93 2.4371 13.120 200 31 9856 1 2.87 2.4095 13.151 200 31 9874 1 2.77 2.2780 12.738 ## Starting information for simulation # 32 ## Starting information for simulation # 33 200 33 7359 1 2.83 2.7104 9.339 ## Starting information for simulation # 34 200 34 9037 1 2.91 2.4670 11.273 200 34 9049 1 2.82 2.9358 11.820 200 34 9050 1 2.89 2.9256 11.887 200 34 9051 1 2.95 2.1810 11.690 200 34 9056 1 2.82 2.9255 12.102 200 34 9057 1 2.98 2.7152 10.995 200 34 9066 1 2.99 2.7020 12.300 200 34 9401 1 2.69 2.6307 12.113 200 34 9402 1 2.97 1.7826 12.105 200 34 9404 1 2.83 2.6056 12.158 ## Starting information for simulation # 35 200 35 8214 1 2.73 1.7708 11.831 200 35 8216 1 2.77 2.4886 11.298 200 35 8217 1 2.70 2.6213 10.907 200 35 8218 1 2.71 2.7826 11.487 200 35 8220 1 2.55 2.9463 11.274 200 35 8221 1 2.74 2.5432 11.799 ## Starting information for simulation # 36