# Bonding information for index 430 -- 0MA_15@O4 0MA_14@H4O 0MA_14@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 # 5 430 5 6787 1 2.85 2.4562 11.439 430 5 7392 1 2.80 2.6225 10.389 430 5 7397 1 2.95 2.2432 11.076 430 5 7398 1 2.78 2.7262 10.991 430 5 7400 1 2.81 2.3977 10.264 430 5 9828 1 2.84 2.2158 8.994 430 5 9833 1 2.66 2.9378 9.126 430 5 9834 1 2.82 2.5940 8.963 ## Starting information for simulation # 6 ## Starting information for simulation # 7 430 7 1726 1 2.92 1.9998 9.757 430 7 1731 1 2.98 2.2384 9.183 430 7 1836 1 2.69 2.4500 9.844 430 7 1841 1 2.91 2.6787 9.657 430 7 1843 1 2.81 2.6932 9.830 430 7 3174 1 2.78 2.7002 8.594 430 7 3362 1 2.89 2.6330 11.851 430 7 3672 1 2.75 2.7175 11.720 430 7 3674 1 2.67 2.3625 12.093 430 7 3675 1 2.80 2.7190 12.086 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 430 11 4542 1 2.80 1.8957 11.162 430 11 4807 1 2.71 2.1599 11.499 430 11 4811 1 2.83 2.1443 11.247 430 11 4813 1 2.80 1.7893 11.506 430 11 5015 1 2.59 2.4894 10.777 430 11 5016 1 2.91 2.6990 10.185 430 11 5283 1 2.74 2.3731 11.520 430 11 5345 1 2.87 2.9461 10.184 430 11 5355 1 2.76 2.5964 10.359 430 11 5398 1 2.92 2.1435 10.538 430 11 5649 1 2.93 2.6355 10.664 430 11 7909 1 2.69 2.4147 11.492 430 11 7911 1 2.97 2.0564 11.630 430 11 8004 1 2.80 2.8229 12.498 430 11 8120 1 2.72 2.8674 13.022 430 11 8203 1 2.91 2.5704 12.775 430 11 8204 1 2.73 2.9345 12.798 430 11 8205 1 2.55 2.8770 12.719 430 11 8578 1 2.78 2.6931 11.779 430 11 8579 1 2.81 2.9545 11.710 430 11 8580 1 2.79 2.8499 11.594 430 11 8909 1 2.64 2.8419 8.165 430 11 8910 1 2.81 2.5086 7.685 430 11 8911 1 2.83 2.6209 9.152 430 11 8912 1 2.85 2.2477 8.613 430 11 8921 1 2.86 1.8023 7.771 430 11 8943 1 3.00 2.0185 9.279 430 11 8956 1 2.85 2.5351 8.621 430 11 8985 1 2.63 2.8399 9.343 430 11 8988 1 3.00 2.0004 9.413 430 11 8989 1 2.66 2.4499 9.524 430 11 8991 1 2.81 2.6781 9.414 430 11 8992 1 2.82 2.8917 9.571 430 11 8993 1 2.66 2.7537 9.431 430 11 8995 1 2.79 2.6885 9.545 430 11 8998 1 2.83 2.4880 9.777 430 11 9049 1 2.87 2.2042 10.013 430 11 9069 1 2.66 2.8398 7.601 430 11 9108 1 2.92 1.9124 8.622 430 11 9309 1 2.92 2.4683 8.205 430 11 9310 1 2.75 2.6388 8.148 430 11 9311 1 2.92 2.3565 8.230 430 11 9493 1 2.69 1.9057 8.868 430 11 9505 1 2.93 2.7889 9.371 430 11 9681 1 2.86 2.5914 7.865 430 11 9685 1 2.86 2.4934 9.421 ## Starting information for simulation # 12 ## Starting information for simulation # 13 ## Starting information for simulation # 14 ## Starting information for simulation # 15 430 15 1454 1 2.82 2.1584 8.358 430 15 1818 1 2.73 2.7655 8.154 430 15 2555 1 2.91 2.1412 10.725 430 15 2583 1 2.76 2.5245 12.428 430 15 2584 1 2.84 2.2125 12.359 430 15 2587 1 2.97 1.8592 12.380 430 15 2591 1 2.95 2.3888 12.638 430 15 2600 1 2.90 1.9366 12.121 430 15 2603 1 2.85 2.7931 11.670 430 15 2604 1 2.74 2.6957 12.175 430 15 2606 1 2.68 2.6613 12.165 430 15 2607 1 2.91 2.6628 12.355 430 15 2609 1 2.84 2.5832 11.965 430 15 2610 1 2.81 2.1377 11.764 430 15 2611 1 2.87 2.8683 12.605 430 15 2617 1 2.97 2.1698 11.878 430 15 3071 1 2.91 1.8031 12.911 430 15 3140 1 2.95 2.9788 11.568 430 15 3150 1 2.76 2.8567 10.826 430 15 3151 1 2.84 2.6551 11.307 430 15 3154 1 2.77 2.6516 11.489 430 15 3156 1 2.92 2.2231 11.546 430 15 3375 1 2.97 2.0510 10.630 430 15 3411 1 2.97 2.8806 11.178 430 15 3413 1 2.79 2.8860 11.029 430 15 3415 1 2.69 2.3665 11.098 430 15 3417 1 2.77 1.8174 11.385 430 15 3421 1 2.77 2.8531 10.615 ## Starting information for simulation # 16 ## Starting information for simulation # 17 430 17 5921 1 2.84 2.0993 12.220 430 17 5930 1 2.83 2.1202 11.727 ## Starting information for simulation # 18 430 18 1104 1 2.96 2.6058 11.307 430 18 1105 1 2.99 2.6575 11.455 430 18 1106 1 2.73 2.3943 12.358 430 18 1108 1 2.64 2.7777 12.391 430 18 1110 1 2.85 2.6901 12.587 430 18 1112 1 2.67 2.5917 11.540 430 18 1135 1 2.94 2.6466 12.305 430 18 1136 1 2.79 2.6045 12.336 430 18 1137 1 2.82 2.6423 12.872 430 18 1138 1 2.94 2.5888 12.128 430 18 1139 1 2.74 2.4100 11.897 430 18 1142 1 2.58 2.2909 12.561 430 18 1144 1 2.75 2.7315 12.360 430 18 1145 1 2.68 2.8360 12.396 430 18 1146 1 2.83 2.1941 11.966 430 18 1147 1 2.87 1.8173 12.144 430 18 1259 1 2.60 2.3980 11.751 430 18 1260 1 2.94 2.2934 11.238 430 18 2583 1 2.94 2.5950 11.896 430 18 4553 1 2.70 2.9803 11.746 430 18 4554 1 2.67 2.9055 11.132 430 18 4555 1 2.65 2.4580 11.815 430 18 4785 1 2.96 2.0076 12.196 430 18 4786 1 2.74 2.9275 12.625 430 18 4787 1 2.63 2.7644 12.840 430 18 4788 1 2.93 2.7137 12.925 430 18 4793 1 2.99 1.7610 12.889 430 18 4844 1 2.98 1.8109 12.383 430 18 4848 1 2.87 2.6879 12.466 430 18 4849 1 2.87 2.9875 12.253 430 18 5010 1 2.81 2.5571 11.726 430 18 5013 1 2.72 2.7516 12.691 430 18 5029 1 2.82 2.1577 12.996 430 18 5252 1 2.99 2.4119 12.238 430 18 6572 1 2.99 2.0737 11.398 430 18 6576 1 2.77 2.2937 11.477 430 18 6582 1 2.74 2.3801 11.634 430 18 7259 1 2.70 2.8252 11.113 430 18 7271 1 2.91 1.8424 10.556 430 18 7295 1 2.75 2.5945 9.839 430 18 8929 1 2.99 1.8342 11.371 430 18 8931 1 2.98 2.0418 10.425 ## Starting information for simulation # 19 ## Starting information for simulation # 20 ## Starting information for simulation # 21 ## Starting information for simulation # 22 430 22 3990 1 2.69 2.8374 11.550 430 22 3991 1 2.69 2.2740 11.302 430 22 3992 1 2.68 2.8351 11.461 430 22 3993 1 2.75 2.6446 11.630 430 22 3995 1 2.74 2.1238 11.540 430 22 4000 1 3.00 2.7971 11.942 430 22 5190 1 2.83 2.5720 12.698 430 22 5948 1 2.83 1.9041 12.669 430 22 5949 1 2.81 2.2810 12.707 430 22 7073 1 2.92 1.8864 12.410 430 22 7607 1 2.77 2.5159 12.396 430 22 7608 1 2.93 3.0019 12.258 430 22 7611 1 2.94 1.9503 11.823 430 22 7734 1 2.50 2.8181 12.204 430 22 7735 1 2.68 2.3986 13.079 430 22 7741 1 2.92 2.3962 12.272 430 22 7746 1 2.75 2.8031 12.816 430 22 8276 1 2.91 2.2288 13.157 430 22 8277 1 2.85 3.0082 13.211 430 22 8461 1 2.88 1.8257 12.753 430 22 8476 1 2.67 2.5210 12.784 430 22 8499 1 2.89 2.2930 12.535 430 22 8570 1 2.91 2.5844 13.322 430 22 8573 1 2.66 2.7952 13.098 430 22 9523 1 2.98 2.2842 12.124 430 22 9529 1 2.75 2.8907 11.456 430 22 9530 1 2.67 2.6686 12.529 430 22 9547 1 2.81 2.5283 12.532 430 22 9556 1 2.80 2.3853 13.072 430 22 9591 1 2.75 2.9514 11.885 430 22 9592 1 2.85 2.6940 12.555 430 22 9790 1 2.81 2.3006 11.487 430 22 9791 1 2.89 2.1881 12.034 430 22 9793 1 2.80 2.6569 12.548 430 22 9797 1 2.66 3.0135 13.304 430 22 9806 1 2.79 2.1758 12.420 430 22 9807 1 2.85 2.9653 11.831 430 22 9863 1 2.92 2.9799 12.079 430 22 9883 1 2.85 2.8313 12.375 ## Starting information for simulation # 23 ## Starting information for simulation # 24 ## Starting information for simulation # 25 ## Starting information for simulation # 26 430 26 1193 1 2.89 2.5542 9.167 430 26 1196 1 2.75 2.1766 9.526 430 26 1197 1 2.73 2.5706 8.582 430 26 1198 1 2.77 2.8661 9.315 430 26 1199 1 2.83 2.4820 9.058 430 26 1200 1 2.89 2.7350 8.695 430 26 1201 1 2.66 2.1668 8.865 430 26 1203 1 2.83 2.4194 8.524 430 26 1204 1 2.71 2.6702 9.154 430 26 1229 1 2.88 2.5838 9.494 430 26 1328 1 2.79 2.7043 8.183 430 26 1330 1 2.91 3.0602 8.382 430 26 1331 1 2.84 3.0092 7.572 430 26 1332 1 2.67 2.9298 8.091 430 26 1333 1 2.77 2.4548 8.127 430 26 1336 1 2.80 2.9732 8.456 430 26 1340 1 2.81 2.5853 8.051 430 26 1341 1 2.69 3.0226 7.934 430 26 1522 1 2.78 2.7785 6.342 430 26 1523 1 2.92 2.5549 7.313 430 26 1617 1 2.71 2.4729 6.877 430 26 2186 1 2.64 2.4645 8.759 430 26 2198 1 2.77 2.9976 8.499 430 26 2787 1 2.80 3.0802 9.327 430 26 2789 1 2.90 2.0527 8.710 430 26 2794 1 2.89 2.3171 8.626 430 26 2801 1 2.88 2.0245 9.187 430 26 2842 1 2.95 1.9022 9.348 430 26 2843 1 2.95 2.2968 8.436 430 26 2880 1 2.50 2.7520 9.014 430 26 2881 1 2.90 2.7942 8.149 430 26 2882 1 2.62 2.8266 9.048 430 26 4014 1 2.89 2.0553 11.967 430 26 4294 1 2.79 2.5495 12.038 430 26 4304 1 2.66 2.7005 12.019 430 26 4305 1 2.73 2.9218 12.226 430 26 4344 1 2.61 2.6957 11.343 430 26 4345 1 2.65 2.8795 11.066 430 26 5030 1 2.80 2.5878 13.117 430 26 5033 1 2.81 2.5242 12.882 430 26 5034 1 2.81 2.3517 12.625 430 26 5064 1 2.94 1.8915 11.855 430 26 5069 1 3.00 2.7094 11.848 430 26 5070 1 2.69 2.6122 12.347 430 26 5071 1 2.67 2.5618 12.482 430 26 5072 1 2.95 2.6096 12.058 430 26 5073 1 2.89 2.5741 12.016 430 26 5074 1 2.73 2.5538 12.090 430 26 5075 1 2.81 2.5178 12.092 430 26 5076 1 2.67 2.6372 11.838 430 26 5077 1 2.81 2.6673 12.205 430 26 5079 1 2.85 2.1975 11.372 430 26 5080 1 2.85 2.3914 13.341 430 26 5185 1 2.90 2.0575 11.579 430 26 5272 1 2.65 2.5743 11.518 430 26 5273 1 2.75 2.5526 11.359 430 26 5274 1 2.67 2.6466 11.495 430 26 6137 1 2.83 2.5071 9.871 430 26 6141 1 2.87 3.0654 11.728 430 26 6145 1 2.87 2.2058 10.115 ## 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 ## Starting information for simulation # 32 ## Starting information for simulation # 33 ## Starting information for simulation # 34 430 34 9092 1 2.69 2.8070 10.962 430 34 9100 1 2.79 2.4176 9.992 430 34 9101 1 2.70 2.7189 9.179 430 34 9283 1 2.75 2.8528 13.226 430 34 9284 1 2.82 2.4656 13.315 430 34 9285 1 2.71 2.5347 12.959 430 34 9286 1 2.80 2.2726 13.118 430 34 9312 1 2.64 2.4246 13.121 430 34 9313 1 2.70 2.3752 13.365 430 34 9322 1 2.91 1.7576 11.226 430 34 9337 1 2.79 2.2541 12.360 430 34 9340 1 2.97 2.2646 12.042 430 34 9362 1 2.73 2.7670 11.714 430 34 9368 1 2.75 2.6651 12.716 430 34 9369 1 2.91 2.6135 12.171 430 34 9370 1 2.79 2.5552 13.078 430 34 9373 1 2.72 2.8845 12.053 430 34 9375 1 2.70 2.2015 11.508 430 34 9376 1 2.77 2.6917 13.437 430 34 9377 1 2.98 1.8707 12.782 430 34 9424 1 2.68 2.5993 10.678 ## Starting information for simulation # 35 ## Starting information for simulation # 36