# Bonding information for index 406 -- 0MA_15@O3 0MA_14@H6O 0MA_14@O6 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 406 2 467 1 2.66 2.7241 10.144 406 2 6488 1 2.66 2.8371 9.838 406 2 8349 1 2.85 2.5967 11.602 406 2 8351 1 2.95 2.6421 10.754 406 2 9249 1 2.60 2.9568 11.899 406 2 9252 1 2.68 2.7097 12.418 ## Starting information for simulation # 3 406 3 943 1 2.62 2.2797 9.311 406 3 1404 1 2.78 2.6398 10.631 406 3 4306 1 2.80 2.5565 11.455 406 3 4311 1 2.95 2.8474 11.770 406 3 4313 1 2.98 2.5427 11.844 406 3 4314 1 2.59 2.4658 12.293 406 3 4952 1 2.57 2.6747 12.087 ## Starting information for simulation # 4 ## Starting information for simulation # 5 ## Starting information for simulation # 6 406 6 282 1 2.76 2.7534 11.929 406 6 1150 1 2.67 2.8270 10.718 ## Starting information for simulation # 7 406 7 8125 1 2.62 2.9749 10.432 406 7 8129 1 2.82 2.6763 11.455 406 7 8131 1 2.83 2.1191 11.358 406 7 8132 1 2.99 2.7690 11.725 406 7 8428 1 2.75 2.7726 12.160 406 7 8429 1 2.56 2.9501 12.391 406 7 8431 1 2.73 2.6312 11.678 406 7 8432 1 2.62 2.5132 12.467 406 7 8433 1 2.97 2.5381 11.795 406 7 8440 1 2.74 2.8580 11.878 406 7 8441 1 3.00 3.0424 12.101 406 7 8442 1 2.71 2.8620 11.740 406 7 8452 1 2.80 2.3241 11.987 406 7 8707 1 2.96 2.0448 10.764 406 7 8719 1 2.83 2.6038 11.566 406 7 8720 1 2.76 2.8180 12.045 406 7 8721 1 2.89 2.5219 11.825 406 7 8844 1 2.76 2.5452 11.099 406 7 8845 1 2.95 2.8246 10.772 ## Starting information for simulation # 8 406 8 169 1 2.53 3.0665 9.640 ## Starting information for simulation # 9 ## Starting information for simulation # 10 406 10 8079 1 2.81 3.0868 7.775 406 10 8080 1 2.84 2.7126 8.113 406 10 8086 1 2.82 2.2282 7.865 406 10 8089 1 2.70 2.7818 8.529 406 10 8090 1 2.66 2.6797 9.134 406 10 8095 1 2.73 2.6401 9.202 406 10 8096 1 2.83 2.7356 8.116 406 10 8097 1 3.00 2.7436 8.403 406 10 8098 1 2.92 2.7420 8.895 406 10 8099 1 2.82 3.0433 8.156 406 10 8100 1 2.55 2.7661 8.042 406 10 8102 1 2.71 2.6669 9.730 406 10 8103 1 2.79 2.8899 9.359 406 10 8104 1 2.81 2.9423 9.525 406 10 8111 1 2.70 2.3289 9.794 406 10 8113 1 2.86 2.6210 8.578 406 10 8115 1 2.99 2.9054 8.169 406 10 8116 1 2.65 2.7545 9.392 406 10 8118 1 2.95 3.0241 8.885 406 10 8119 1 2.95 2.5960 8.817 406 10 8137 1 2.67 2.8838 7.874 406 10 8152 1 2.60 2.7029 8.181 406 10 8153 1 2.69 2.3147 8.930 406 10 8154 1 2.70 2.9375 9.163 406 10 8155 1 2.92 2.5841 8.606 406 10 8157 1 2.69 2.8870 7.911 406 10 8186 1 2.91 2.4664 8.889 406 10 8263 1 2.67 3.0989 7.193 406 10 8268 1 2.85 2.3351 6.641 406 10 8270 1 2.90 2.5330 7.482 406 10 8271 1 2.89 2.5620 7.156 406 10 8856 1 2.88 2.7891 8.251 406 10 8857 1 2.88 2.7010 8.863 406 10 8858 1 2.84 2.5303 8.212 406 10 8859 1 2.89 2.8932 7.958 406 10 8860 1 2.55 2.6996 8.235 406 10 8861 1 2.90 2.7772 8.395 406 10 8862 1 2.95 2.8936 7.867 ## Starting information for simulation # 11 ## Starting information for simulation # 12 ## Starting information for simulation # 13 ## Starting information for simulation # 14 ## Starting information for simulation # 15 406 15 1661 1 2.65 3.0759 9.504 406 15 1662 1 2.95 2.9720 8.934 406 15 5664 1 2.74 2.7701 11.934 406 15 8881 1 2.89 1.8883 12.187 406 15 8885 1 2.88 2.2738 11.318 406 15 8913 1 2.95 2.2032 11.938 406 15 8914 1 2.72 2.8028 12.248 406 15 8915 1 2.69 2.8827 11.983 406 15 8916 1 2.90 2.5170 12.046 406 15 8918 1 2.72 2.7812 11.605 406 15 8919 1 2.73 2.9438 11.990 406 15 8921 1 2.95 2.8477 11.495 406 15 8922 1 2.81 2.7662 11.540 406 15 8925 1 2.78 2.8310 11.675 406 15 8926 1 2.85 2.5197 11.042 406 15 8936 1 2.99 2.8647 10.979 406 15 8937 1 2.99 2.5409 10.432 406 15 9145 1 2.84 1.7507 11.408 406 15 9368 1 2.74 2.4105 11.531 406 15 9389 1 2.62 2.6832 10.395 406 15 9390 1 2.72 2.6805 11.249 406 15 9391 1 2.80 2.8449 11.674 ## Starting information for simulation # 16 ## Starting information for simulation # 17 ## Starting information for simulation # 18 406 18 7271 1 2.76 2.9028 10.556 406 18 7272 1 2.69 3.0565 10.459 406 18 7273 1 2.70 2.8156 10.748 406 18 7274 1 2.88 3.0226 10.595 406 18 7276 1 2.72 2.8529 11.640 406 18 7277 1 2.85 2.6691 11.425 406 18 8965 1 2.89 2.9567 10.962 406 18 8966 1 2.86 2.5392 11.118 ## Starting information for simulation # 19 ## Starting information for simulation # 20 406 20 8426 1 2.61 2.9531 6.607 406 20 8427 1 2.89 2.8330 6.606 406 20 9588 1 2.88 2.7227 6.536 406 20 9613 1 2.91 2.5972 6.641 406 20 9614 1 2.84 2.3653 5.758 406 20 9638 1 2.90 2.6579 6.556 406 20 9646 1 2.70 2.9094 5.893 406 20 9676 1 2.74 2.4059 6.178 406 20 9689 1 2.96 2.5897 6.457 406 20 9715 1 2.72 2.2805 6.267 406 20 9738 1 2.90 2.5690 6.265 406 20 9793 1 2.82 2.6885 7.142 406 20 9795 1 2.93 2.9458 6.580 ## Starting information for simulation # 21 406 21 3758 1 2.79 3.0639 6.441 406 21 3759 1 2.92 2.5088 6.855 406 21 3763 1 2.75 2.2852 6.837 406 21 3764 1 2.96 2.5284 6.328 406 21 3765 1 2.86 2.8840 5.752 406 21 3766 1 2.59 2.4670 5.742 406 21 3770 1 3.00 2.1591 6.240 406 21 3796 1 2.99 2.9554 6.939 406 21 3801 1 2.73 3.0080 6.851 406 21 3824 1 2.79 2.1001 5.635 406 21 3994 1 2.62 2.7496 7.107 406 21 3995 1 2.85 2.5692 6.427 406 21 3996 1 2.77 2.8833 6.469 406 21 3997 1 2.77 2.7613 6.338 406 21 3999 1 2.80 2.4901 6.431 406 21 4000 1 2.73 2.6735 6.406 406 21 4001 1 2.88 2.8713 6.547 406 21 4004 1 2.87 2.3628 6.475 406 21 4860 1 2.74 2.9233 7.203 406 21 4861 1 2.83 2.5785 7.052 406 21 4862 1 2.81 2.0685 6.583 406 21 4863 1 2.84 2.8550 6.270 406 21 4864 1 2.76 2.5623 7.114 406 21 4865 1 2.82 2.4388 6.890 406 21 4867 1 2.84 2.4171 7.016 406 21 4868 1 2.76 2.5633 6.825 406 21 4876 1 2.85 2.7993 6.263 406 21 4877 1 2.90 2.8011 5.792 406 21 4883 1 2.98 2.1973 6.102 406 21 4884 1 2.70 2.8779 6.174 406 21 4885 1 2.76 3.0654 6.204 406 21 4887 1 2.78 2.6710 7.134 406 21 4888 1 2.80 2.3378 7.054 406 21 4892 1 2.79 2.5153 6.310 406 21 4896 1 2.86 2.5685 6.204 406 21 4898 1 2.66 2.7069 5.894 406 21 4900 1 2.70 2.9595 6.075 406 21 4902 1 2.71 2.4950 6.292 406 21 4903 1 2.86 2.8542 6.185 406 21 4905 1 2.85 2.5183 6.373 406 21 4906 1 2.66 2.7631 6.313 406 21 4909 1 2.72 2.8713 6.037 406 21 4910 1 2.85 2.8247 6.522 406 21 4911 1 2.78 2.7614 6.003 406 21 4921 1 2.82 2.5105 6.062 406 21 4924 1 2.99 2.9741 5.967 406 21 4925 1 2.63 2.6572 5.953 406 21 4926 1 2.97 1.7852 6.067 406 21 4929 1 2.91 3.0019 6.001 406 21 4930 1 2.83 2.7070 6.168 406 21 4931 1 2.82 2.8439 6.210 406 21 4935 1 2.69 2.6099 5.941 406 21 4936 1 2.86 2.6614 6.364 406 21 4937 1 2.71 2.7779 6.021 406 21 4938 1 2.77 2.6168 5.395 406 21 4939 1 2.92 2.2132 6.344 406 21 5016 1 2.64 2.2457 6.661 406 21 5111 1 2.77 2.4476 6.449 406 21 5114 1 2.92 2.7746 6.299 406 21 5156 1 2.86 2.6668 6.510 406 21 5168 1 2.96 2.6392 6.281 406 21 5230 1 3.00 2.5811 6.005 406 21 5437 1 2.61 3.0310 5.802 406 21 5438 1 2.63 2.8906 5.717 406 21 5439 1 2.96 3.0207 5.936 406 21 5441 1 2.89 2.6242 5.461 406 21 5443 1 2.89 2.4118 5.353 ## Starting information for simulation # 22 406 22 9522 1 2.80 2.8105 12.170 406 22 9523 1 2.84 2.6767 12.124 406 22 9525 1 2.76 2.7438 12.506 406 22 9526 1 2.79 2.6606 12.594 ## Starting information for simulation # 23 406 23 4545 1 2.76 2.3391 9.825 406 23 4546 1 2.79 3.0160 10.576 406 23 4826 1 2.93 1.9317 11.074 406 23 4869 1 2.90 2.9011 10.551 406 23 4877 1 2.84 3.0912 10.875 406 23 4879 1 2.99 2.8092 10.937 406 23 5762 1 3.00 2.1070 9.362 406 23 5775 1 2.97 2.4169 10.446 406 23 5777 1 2.87 2.8746 10.765 406 23 5797 1 3.00 2.2182 9.948 406 23 6316 1 2.73 2.2734 10.474 406 23 6317 1 2.95 2.5182 10.672 406 23 6350 1 2.84 2.7634 10.480 406 23 6351 1 2.94 2.5720 10.772 406 23 7005 1 2.83 2.7554 10.363 406 23 7006 1 2.69 2.9295 10.509 ## Starting information for simulation # 24 406 24 4638 1 2.80 2.5271 11.336 406 24 4881 1 2.83 2.7132 10.673 406 24 4885 1 2.79 2.4632 10.189 406 24 5452 1 2.78 2.9395 11.134 406 24 5453 1 2.65 2.8154 11.171 406 24 5454 1 2.69 2.4929 11.336 406 24 5455 1 2.79 2.7125 11.078 406 24 5456 1 2.74 2.5705 11.246 406 24 9102 1 2.82 2.4179 11.873 406 24 9105 1 2.92 2.8229 11.821 406 24 9107 1 2.78 2.4563 12.629 406 24 9108 1 2.99 2.8169 12.275 406 24 9126 1 2.78 2.7716 12.260 406 24 9127 1 2.90 2.7228 12.103 ## Starting information for simulation # 25 406 25 5442 1 2.84 2.6882 12.053 406 25 5443 1 2.91 2.8884 12.404 406 25 5445 1 2.71 2.3309 12.705 406 25 5446 1 2.78 2.9576 12.440 406 25 5447 1 2.71 2.8911 12.834 406 25 5449 1 2.82 2.6054 12.399 406 25 5459 1 2.88 2.6155 11.973 406 25 6425 1 2.67 2.9717 11.927 ## Starting information for simulation # 26 406 26 225 1 3.00 2.6138 9.782 406 26 1993 1 2.78 2.5972 7.380 406 26 1994 1 2.81 2.3667 7.562 406 26 2020 1 2.69 2.7326 7.651 406 26 2021 1 2.85 2.5345 7.407 ## 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 # 33 406 33 3418 1 2.91 2.9712 13.120 406 33 3516 1 2.84 2.8831 13.458 406 33 5215 1 2.94 2.3808 13.092 406 33 5554 1 2.62 2.9636 12.070 406 33 6092 1 2.98 2.5869 12.743 406 33 6328 1 2.64 2.8625 8.867 406 33 6329 1 2.62 2.7951 9.364 406 33 6330 1 2.92 2.3612 9.375 ## Starting information for simulation # 34 ## Starting information for simulation # 35 ## Starting information for simulation # 36