# Bonding information for index 345 -- 0MA_14@O6 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 # 3 345 3 3970 1 2.83 2.8104 12.679 ## Starting information for simulation # 4 ## Starting information for simulation # 5 ## Starting information for simulation # 6 ## Starting information for simulation # 7 345 7 821 1 2.80 2.9338 7.882 345 7 822 1 2.93 2.4824 8.386 345 7 823 1 2.85 2.7611 8.327 345 7 824 1 2.62 2.5003 7.759 345 7 825 1 2.98 2.7994 8.196 345 7 831 1 2.90 2.9319 7.728 345 7 832 1 2.96 3.0167 8.460 345 7 833 1 2.80 2.8681 8.209 345 7 834 1 2.62 2.5139 8.663 345 7 850 1 2.83 2.9898 8.357 345 7 851 1 2.80 2.9939 8.328 345 7 863 1 2.75 2.3270 9.385 345 7 865 1 2.76 2.7296 8.483 345 7 866 1 2.62 2.5297 8.652 345 7 867 1 2.65 3.0602 7.965 345 7 868 1 2.84 2.4200 8.563 345 7 988 1 2.82 2.7514 9.344 345 7 989 1 3.00 2.2434 9.183 345 7 1073 1 2.74 2.9687 9.629 345 7 1074 1 2.56 2.9011 9.525 345 7 1075 1 2.82 2.8562 9.717 345 7 1076 1 2.62 2.8269 9.279 345 7 1077 1 2.79 3.0612 9.813 345 7 1078 1 2.75 2.8280 9.125 345 7 1079 1 2.92 2.6948 9.194 345 7 1080 1 2.76 2.9411 9.295 345 7 1090 1 2.72 2.3848 9.140 345 7 1091 1 2.76 2.9238 8.688 345 7 1092 1 2.85 2.7009 8.936 345 7 1093 1 2.75 2.7545 8.765 345 7 1094 1 2.90 2.2704 9.469 345 7 1095 1 2.83 2.1125 9.565 345 7 1096 1 2.78 2.3687 8.859 345 7 1097 1 2.98 2.4594 9.677 345 7 1098 1 2.67 2.2079 9.718 345 7 1099 1 2.82 2.5450 9.480 345 7 1100 1 2.71 2.8590 8.620 345 7 1102 1 2.91 2.5864 9.325 345 7 1103 1 2.97 2.6830 8.543 345 7 1113 1 2.74 2.4384 9.101 345 7 1118 1 2.87 2.0066 9.157 345 7 1119 1 2.81 3.0931 9.403 345 7 1120 1 2.70 2.8274 9.607 345 7 1121 1 2.82 2.8189 9.666 345 7 1134 1 2.78 2.6705 9.286 345 7 1143 1 2.78 2.6759 8.171 345 7 1144 1 2.96 2.8615 8.255 345 7 1146 1 2.69 2.6659 8.860 345 7 1147 1 2.71 2.9448 9.001 345 7 1148 1 2.83 2.6984 9.623 345 7 1149 1 2.58 2.8524 9.747 345 7 1150 1 2.74 2.3876 9.028 345 7 1151 1 2.68 3.0057 9.463 345 7 1153 1 2.60 2.9390 9.625 345 7 1156 1 2.76 2.8452 9.854 345 7 1157 1 2.76 2.7946 9.871 345 7 1158 1 2.85 2.8480 9.679 345 7 1160 1 2.80 2.4475 9.406 345 7 1161 1 2.99 2.2285 9.765 345 7 1162 1 2.71 2.6769 9.227 345 7 1163 1 2.78 2.9300 9.214 345 7 1167 1 2.64 3.0412 10.072 345 7 1168 1 2.92 2.3070 9.750 345 7 1169 1 2.84 2.9779 10.338 345 7 1170 1 2.90 2.2659 10.857 345 7 1171 1 2.72 2.4774 10.459 345 7 1173 1 2.75 2.7002 9.795 345 7 1174 1 2.64 2.3796 9.214 345 7 1175 1 2.69 2.7078 9.269 345 7 1176 1 2.96 1.7956 9.678 345 7 1177 1 2.76 2.6666 9.534 345 7 1178 1 2.72 2.3553 9.634 345 7 1179 1 2.78 2.4023 9.267 345 7 1180 1 2.64 3.0609 9.189 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 345 11 7946 1 2.78 3.1384 11.768 345 11 8310 1 2.86 2.8393 13.324 345 11 8311 1 2.72 2.5221 12.700 345 11 8312 1 2.76 2.6421 12.695 345 11 8313 1 2.92 2.7263 12.429 345 11 8315 1 2.75 2.6793 12.462 345 11 8316 1 2.92 1.7463 12.142 345 11 8340 1 2.77 2.9388 11.778 345 11 8341 1 2.57 2.6137 11.663 345 11 8342 1 2.75 2.6140 11.705 345 11 8343 1 2.87 2.9259 11.771 345 11 8344 1 2.80 3.1306 11.406 345 11 8345 1 2.83 2.9130 11.969 345 11 8346 1 2.87 2.6783 12.500 345 11 8348 1 2.93 2.6114 11.722 345 11 8349 1 2.88 2.9908 11.293 345 11 8350 1 2.82 2.6935 12.481 345 11 8351 1 2.58 2.8069 12.171 345 11 8354 1 2.74 2.7963 12.999 345 11 8357 1 2.68 3.0049 12.266 345 11 8358 1 2.83 2.7682 12.526 345 11 8360 1 2.84 2.6335 12.061 345 11 8361 1 2.85 2.5158 11.708 345 11 8362 1 2.89 2.8448 11.801 345 11 8363 1 2.78 3.0385 12.141 345 11 8371 1 2.73 3.0092 12.936 345 11 8372 1 2.75 2.9877 12.584 345 11 8373 1 2.72 2.6479 12.780 345 11 8374 1 2.77 2.8109 12.678 345 11 8376 1 2.88 2.8841 12.774 345 11 8377 1 2.65 2.8455 12.805 345 11 8378 1 2.82 2.6328 11.285 345 11 8379 1 2.61 2.6358 11.683 345 11 8380 1 2.94 2.9221 10.921 345 11 8381 1 2.80 3.0036 12.396 345 11 8457 1 2.76 2.8060 13.192 345 11 8458 1 2.76 2.8084 12.985 345 11 8459 1 2.66 2.8850 12.485 345 11 8460 1 2.63 2.9189 13.191 345 11 8461 1 2.82 2.8733 13.124 345 11 8462 1 2.78 2.8244 12.879 345 11 8463 1 2.59 2.4358 12.553 345 11 8464 1 2.78 3.0693 12.007 345 11 8465 1 2.57 2.8518 12.422 345 11 8466 1 2.95 2.4107 12.434 345 11 8467 1 2.71 2.6672 12.623 345 11 8468 1 2.78 3.0565 12.345 345 11 8469 1 2.58 3.1058 13.006 345 11 8470 1 2.72 3.0724 12.348 345 11 8471 1 2.73 2.9026 12.057 345 11 8472 1 2.89 2.5971 12.311 345 11 8473 1 2.69 2.6726 12.533 345 11 8474 1 2.82 2.7835 11.997 345 11 8475 1 2.88 2.7349 11.274 345 11 8476 1 2.89 2.9373 11.657 345 11 8477 1 2.79 2.8178 11.983 345 11 8478 1 2.68 2.7757 10.496 345 11 8569 1 2.80 2.7796 12.975 345 11 8570 1 2.94 2.6718 13.130 ## Starting information for simulation # 12 ## Starting information for simulation # 13 345 13 1679 1 2.70 2.8376 11.872 345 13 3876 1 2.83 2.9993 13.323 345 13 3878 1 2.94 2.6540 12.666 345 13 3879 1 2.80 2.6177 12.531 345 13 3880 1 2.63 3.1200 12.819 345 13 3881 1 2.97 2.6502 12.764 345 13 3882 1 2.80 2.8511 12.009 ## Starting information for simulation # 14 ## Starting information for simulation # 15 ## Starting information for simulation # 16 ## Starting information for simulation # 17 345 17 3830 1 2.68 2.7719 12.869 345 17 3834 1 2.73 2.7898 11.955 345 17 3889 1 2.92 2.3376 12.447 345 17 3890 1 2.61 2.8566 12.329 ## Starting information for simulation # 18 ## Starting information for simulation # 19 345 19 6216 1 2.84 2.6678 7.355 ## Starting information for simulation # 20 ## Starting information for simulation # 21 ## Starting information for simulation # 22 345 22 4706 1 2.99 2.6893 12.830 345 22 4720 1 2.77 2.8831 12.739 345 22 4760 1 2.83 2.3727 12.524 345 22 4761 1 2.91 2.7311 12.359 345 22 4763 1 2.97 2.9924 12.183 345 22 4764 1 2.69 3.0601 12.205 345 22 4765 1 2.68 2.9480 13.106 345 22 4766 1 2.87 3.0216 13.153 345 22 4767 1 2.92 2.8778 12.857 345 22 4769 1 2.97 2.9223 12.876 345 22 4771 1 2.69 2.7031 13.029 345 22 4772 1 2.98 2.5313 13.259 345 22 4794 1 2.74 2.7487 12.778 345 22 4795 1 2.82 2.7749 12.440 345 22 4801 1 2.72 2.4537 12.294 345 22 5439 1 2.58 3.0549 12.539 345 22 5440 1 2.78 2.8535 12.359 345 22 5442 1 2.84 2.9286 12.216 345 22 5446 1 2.70 2.6667 12.655 345 22 5447 1 2.79 2.6554 12.487 345 22 5448 1 2.78 2.3682 12.464 345 22 5473 1 2.81 2.5173 12.534 345 22 5564 1 2.86 2.9509 12.618 345 22 5566 1 2.81 2.2046 11.683 345 22 5567 1 2.71 2.5255 11.954 345 22 5568 1 2.80 2.8587 11.603 345 22 5569 1 2.83 2.9197 11.503 345 22 5570 1 2.64 2.7515 11.825 345 22 5595 1 2.82 1.9687 12.800 345 22 5596 1 2.72 2.7493 12.719 345 22 5597 1 2.84 2.7666 12.943 345 22 5598 1 2.70 2.9238 12.669 345 22 5599 1 2.67 2.8052 13.130 345 22 5600 1 2.69 2.8114 13.374 345 22 5601 1 2.74 2.6658 12.802 345 22 5602 1 2.72 2.9017 12.932 345 22 5604 1 2.71 2.6597 13.147 345 22 5605 1 2.86 2.6740 12.721 345 22 5606 1 2.92 3.0703 13.013 345 22 5607 1 2.77 2.7985 12.823 345 22 5608 1 2.98 2.4973 12.612 345 22 5609 1 2.79 2.9294 13.192 345 22 5610 1 2.70 3.1037 12.817 345 22 5611 1 2.93 2.7702 12.659 345 22 5612 1 2.62 3.0341 12.938 345 22 5613 1 2.77 2.9977 12.725 345 22 5614 1 2.88 2.8231 13.127 345 22 5615 1 2.73 3.0566 12.681 345 22 5616 1 2.94 2.7550 12.728 345 22 5617 1 2.73 2.8450 12.485 345 22 5618 1 2.81 2.7635 12.705 345 22 5619 1 2.91 2.6629 12.348 345 22 5620 1 2.81 2.7965 12.765 345 22 5621 1 2.76 2.9265 12.476 345 22 5622 1 2.64 2.9234 12.589 345 22 5624 1 2.89 2.8638 12.696 345 22 5642 1 2.81 2.9984 12.673 345 22 5649 1 2.90 2.8776 12.611 345 22 5669 1 2.74 2.8460 13.091 345 22 5670 1 2.67 2.9859 12.686 345 22 5678 1 2.87 2.8687 12.514 345 22 5699 1 2.95 2.5594 12.945 345 22 5713 1 2.93 2.7872 12.499 345 22 5716 1 2.77 3.0445 11.922 345 22 5872 1 2.82 2.4102 12.574 345 22 5914 1 2.74 2.8566 12.323 345 22 6106 1 2.70 3.0512 12.397 345 22 6107 1 2.95 2.9655 13.518 345 22 6108 1 2.87 2.6239 13.227 345 22 6171 1 2.64 2.7987 12.229 345 22 6172 1 2.85 2.9233 12.397 345 22 6173 1 2.63 2.9373 12.277 345 22 6174 1 2.60 2.8751 13.301 345 22 6175 1 2.83 2.8200 13.144 345 22 6176 1 2.73 2.8834 12.836 345 22 6177 1 2.74 2.7698 12.440 345 22 6178 1 2.68 2.9368 12.409 345 22 6179 1 2.66 3.0188 12.582 345 22 6180 1 2.67 2.8416 13.323 345 22 6181 1 2.93 2.5326 13.545 345 22 6182 1 2.76 2.7606 12.713 345 22 6183 1 2.76 2.5319 12.828 345 22 6184 1 2.98 2.7560 12.128 345 22 6185 1 2.68 2.9970 12.791 345 22 6187 1 2.75 3.0987 12.316 345 22 6188 1 2.77 3.0182 12.629 345 22 6189 1 2.64 3.0069 12.224 345 22 6190 1 2.66 2.5089 12.888 345 22 6191 1 2.64 2.7640 13.030 345 22 6192 1 2.74 2.6563 13.167 345 22 6193 1 2.74 2.3181 13.107 345 22 6196 1 2.86 2.5674 12.734 345 22 6197 1 2.76 2.8878 13.041 345 22 6198 1 2.56 2.7115 12.543 345 22 6355 1 2.63 3.0316 12.436 345 22 6357 1 2.82 2.8391 12.353 345 22 6372 1 2.81 2.6006 12.519 345 22 6373 1 2.81 2.2686 12.899 345 22 6374 1 2.98 2.7000 12.969 345 22 6376 1 2.70 1.9679 12.288 345 22 6390 1 2.83 2.8079 12.519 345 22 6391 1 2.79 2.9687 12.787 345 22 6411 1 2.92 2.9436 12.410 345 22 7665 1 2.87 2.7613 13.065 345 22 7715 1 2.78 2.8837 11.151 345 22 8223 1 2.87 2.2486 13.032 345 22 8420 1 2.86 2.2811 13.477 345 22 8421 1 2.69 2.7081 13.078 345 22 8464 1 2.66 3.0070 13.528 345 22 8465 1 2.89 2.3752 13.138 345 22 8484 1 2.99 2.7897 12.291 345 22 8498 1 2.89 2.5471 12.702 345 22 8510 1 2.75 2.7478 12.204 345 22 8531 1 2.85 2.3748 12.725 345 22 8547 1 2.79 2.6744 12.722 345 22 8596 1 2.84 2.5263 13.295 345 22 8597 1 2.79 2.9006 13.362 345 22 8621 1 2.94 2.9238 12.195 345 22 8630 1 2.85 2.9757 13.148 345 22 8640 1 2.94 2.7884 12.780 345 22 8650 1 2.81 2.6264 13.101 345 22 9674 1 2.94 2.6175 12.137 345 22 9676 1 2.90 2.4522 12.436 345 22 9682 1 2.90 2.5865 12.260 345 22 9685 1 2.85 2.4606 12.631 345 22 9686 1 2.82 2.7661 12.525 345 22 9687 1 2.95 2.7599 12.082 345 22 9688 1 2.66 2.6713 12.297 345 22 9693 1 2.90 2.2019 12.316 345 22 9776 1 2.87 2.6942 11.529 345 22 9778 1 2.79 2.2631 12.072 345 22 9797 1 2.84 2.5514 13.304 345 22 9802 1 2.69 2.4210 11.540 345 22 9817 1 2.83 2.5835 12.141 345 22 9818 1 2.73 2.8564 12.240 345 22 9819 1 2.66 2.9641 11.907 345 22 9821 1 2.90 2.8919 11.900 345 22 9822 1 2.86 2.2945 12.345 345 22 9823 1 2.75 2.8262 12.751 345 22 9824 1 2.65 2.6621 12.051 345 22 9826 1 2.99 2.2483 12.034 345 22 9839 1 2.72 2.1270 12.913 345 22 9847 1 2.89 2.5273 11.708 345 22 9848 1 2.77 2.4958 12.148 345 22 9891 1 2.68 2.8857 13.113 345 22 9892 1 2.86 2.8080 13.666 345 22 9893 1 2.89 2.3288 13.412 345 22 9894 1 2.59 2.5910 13.571 345 22 9895 1 2.64 2.9539 13.525 345 22 9899 1 2.74 2.9058 12.700 345 22 9903 1 2.64 2.6199 12.329 345 22 9904 1 2.80 2.8588 12.301 345 22 9906 1 2.67 2.8265 12.968 345 22 9907 1 2.89 2.7598 12.542 345 22 9908 1 2.94 2.9410 13.030 ## Starting information for simulation # 23 ## Starting information for simulation # 24 ## Starting information for simulation # 25 ## Starting information for simulation # 26 ## Starting information for simulation # 27 ## Starting information for simulation # 28 345 28 162 1 2.98 2.9035 12.901 345 28 163 1 2.71 2.7463 13.093 345 28 164 1 2.81 3.0088 12.656 345 28 165 1 2.69 2.9318 12.438 345 28 166 1 2.75 3.0797 12.544 345 28 167 1 2.67 2.9281 12.998 345 28 170 1 2.89 2.8293 12.531 345 28 171 1 2.91 2.7161 12.223 ## Starting information for simulation # 29 345 29 2735 1 2.99 1.9586 13.421 ## Starting information for simulation # 30 345 30 2071 1 2.75 2.9072 13.329 345 30 2073 1 2.56 2.9768 13.164 345 30 2074 1 2.57 2.9804 13.347 345 30 2075 1 2.69 3.0345 12.889 345 30 2079 1 2.87 2.5618 13.174 ## Starting information for simulation # 31 345 31 5191 1 2.85 3.0214 11.810 345 31 5192 1 2.89 3.1051 12.095 345 31 6581 1 2.84 3.0239 12.194 ## Starting information for simulation # 32 ## Starting information for simulation # 33 345 33 8227 1 2.80 2.7363 9.392 345 33 8311 1 2.91 2.5668 9.239 345 33 8388 1 2.86 3.0637 9.185 345 33 8391 1 2.90 2.2572 9.072 345 33 8525 1 2.54 3.0647 8.560 345 33 8996 1 2.91 2.9844 8.869 345 33 9007 1 2.76 2.5472 9.339 ## Starting information for simulation # 34 345 34 6678 1 2.82 2.1221 13.985 345 34 7204 1 2.97 2.3788 14.405 345 34 7218 1 2.90 2.9839 14.318 345 34 7620 1 2.99 2.1232 12.908 345 34 7825 1 2.86 2.4456 13.897 345 34 7849 1 2.76 2.5253 13.255 345 34 7850 1 2.77 2.2867 13.579 345 34 7852 1 2.91 2.6868 12.457 345 34 7854 1 2.85 2.4048 13.243 345 34 7855 1 2.98 2.1261 13.423 345 34 8699 1 2.97 3.0120 13.804 ## Starting information for simulation # 35 ## Starting information for simulation # 36