# Bonding information for index 157 -- 0VA_14@O2N 0VA_12@H6O 0VA_12@O6 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 157 1 1985 1 2.71 3.0541 11.465 157 1 1990 1 2.80 2.3165 11.372 ## Starting information for simulation # 2 157 2 5380 1 2.89 2.9378 10.073 ## Starting information for simulation # 3 ## Starting information for simulation # 4 ## Starting information for simulation # 5 157 5 4810 1 2.73 2.6308 12.326 157 5 4816 1 2.89 2.3951 12.165 157 5 5099 1 2.78 2.5101 10.684 157 5 5100 1 2.74 2.7626 11.104 157 5 5102 1 2.82 2.4478 10.999 157 5 5851 1 2.70 2.3672 11.036 157 5 6047 1 2.75 3.1161 10.839 157 5 6157 1 2.77 3.1069 11.715 ## Starting information for simulation # 6 157 6 6442 1 2.76 2.7825 10.390 ## Starting information for simulation # 7 ## Starting information for simulation # 8 157 8 916 1 2.60 2.3986 10.021 ## Starting information for simulation # 9 157 9 5051 1 2.65 2.7039 10.710 ## Starting information for simulation # 10 ## Starting information for simulation # 11 ## Starting information for simulation # 12 ## Starting information for simulation # 13 ## Starting information for simulation # 14 157 14 7855 1 2.85 2.6545 10.604 ## Starting information for simulation # 15 157 15 823 1 2.78 3.0419 13.959 157 15 824 1 2.78 2.7811 13.624 157 15 888 1 2.71 3.0099 13.208 157 15 892 1 2.61 2.5554 12.673 157 15 898 1 2.59 2.6631 13.035 157 15 899 1 2.50 2.5510 13.312 157 15 904 1 2.69 2.4727 13.032 157 15 3985 1 2.85 2.7428 13.033 157 15 5431 1 2.62 2.7572 13.012 157 15 5753 1 2.77 2.4789 14.011 157 15 5754 1 2.47 2.9591 13.886 157 15 5755 1 2.77 2.7704 13.582 157 15 5756 1 2.67 2.9106 13.460 157 15 5757 1 2.80 2.5172 13.690 157 15 5758 1 2.93 2.8597 13.521 157 15 5760 1 2.77 2.8374 13.871 157 15 5761 1 2.60 2.7178 13.930 157 15 5762 1 2.79 2.7357 14.343 157 15 5763 1 2.95 2.8546 13.747 157 15 5765 1 2.97 2.8249 14.341 157 15 5767 1 2.99 2.7446 13.950 157 15 5769 1 2.74 2.8076 14.228 157 15 5772 1 2.87 2.8649 13.969 157 15 5773 1 2.72 2.6774 13.670 157 15 5774 1 2.65 2.9153 14.019 157 15 5776 1 2.63 2.6113 14.280 157 15 5777 1 2.62 2.9851 14.306 157 15 5778 1 2.96 2.8720 13.910 157 15 5779 1 2.69 2.6320 13.876 157 15 5780 1 2.58 2.4560 13.965 157 15 5781 1 2.61 3.1031 13.598 157 15 5782 1 2.89 3.1196 13.329 157 15 5784 1 2.75 2.4557 13.907 157 15 5785 1 2.67 2.8731 13.904 157 15 5786 1 2.83 2.5729 13.898 157 15 5787 1 2.62 3.0092 13.941 157 15 5788 1 2.76 2.7580 13.671 157 15 5789 1 2.76 2.9502 13.943 157 15 5790 1 2.80 3.0108 13.776 157 15 5792 1 2.55 2.8325 14.181 157 15 5793 1 2.61 2.7002 13.898 157 15 5794 1 2.87 3.0459 14.135 157 15 5795 1 2.72 2.8535 14.178 157 15 5796 1 2.92 2.5354 14.027 157 15 5797 1 2.76 2.6285 14.194 157 15 5798 1 2.58 2.6150 13.940 157 15 5800 1 2.62 2.6842 14.053 157 15 5801 1 2.88 2.5011 13.869 157 15 5802 1 2.91 3.0246 14.241 157 15 5803 1 2.65 3.0074 13.985 157 15 5804 1 2.75 2.8031 13.733 157 15 5805 1 2.75 2.6667 13.779 157 15 5806 1 2.85 2.5381 13.660 157 15 5807 1 2.94 2.7016 14.036 157 15 5809 1 2.86 2.2559 13.574 157 15 5810 1 2.70 2.5589 13.974 157 15 5812 1 2.65 2.6766 13.972 157 15 5813 1 2.74 2.6111 13.268 157 15 5816 1 2.80 2.0826 14.155 157 15 5817 1 2.63 2.8631 14.131 157 15 5818 1 2.92 2.7227 13.434 157 15 5819 1 2.86 2.7727 13.948 157 15 5820 1 2.80 3.0395 13.218 157 15 5821 1 2.79 3.0413 13.868 157 15 5822 1 2.88 2.5763 14.065 157 15 5824 1 2.86 2.8464 13.865 157 15 5825 1 2.68 2.7080 13.769 157 15 5826 1 2.95 2.5304 13.703 157 15 5827 1 2.64 2.9091 13.642 157 15 5828 1 2.84 2.2312 13.904 157 15 5829 1 2.75 3.0651 13.352 157 15 5830 1 2.89 2.5972 13.690 157 15 5831 1 2.94 2.9793 13.753 157 15 5833 1 2.68 2.8394 13.805 157 15 5834 1 2.89 2.8054 13.881 157 15 5836 1 2.78 2.8714 13.843 157 15 5837 1 2.88 3.0581 13.619 157 15 5840 1 2.89 2.5831 13.677 157 15 5841 1 2.63 3.0996 13.999 157 15 5842 1 2.87 2.6542 13.797 157 15 5843 1 2.74 2.7069 14.172 157 15 5844 1 2.71 2.5431 13.638 157 15 5845 1 2.93 2.7269 14.189 157 15 5846 1 2.74 2.7275 13.561 157 15 5847 1 2.68 2.9533 13.536 157 15 5848 1 2.57 2.7215 13.833 157 15 5849 1 2.72 2.9005 13.955 157 15 5850 1 2.92 2.5473 13.929 157 15 5852 1 2.67 2.9212 13.783 157 15 5853 1 2.99 2.7828 13.565 157 15 5854 1 2.99 2.8245 13.754 157 15 5855 1 2.67 2.2927 13.661 157 15 5856 1 2.77 3.0260 13.434 157 15 5857 1 2.54 2.8731 13.600 157 15 5858 1 2.90 2.9641 13.307 157 15 5859 1 2.85 2.9722 13.374 157 15 5860 1 2.69 3.0196 13.713 157 15 5861 1 2.69 3.0207 13.959 157 15 5862 1 2.72 2.7175 13.931 157 15 5863 1 2.73 2.8356 13.864 157 15 5864 1 2.81 2.9239 13.575 157 15 5865 1 2.87 3.0157 13.403 157 15 5866 1 2.72 2.9219 13.567 157 15 5867 1 2.78 2.7056 14.055 157 15 5868 1 2.57 2.8091 13.999 157 15 5870 1 2.71 2.7065 14.079 157 15 5873 1 2.77 2.8818 13.765 157 15 5875 1 2.82 2.7328 13.858 157 15 5876 1 2.83 2.2807 14.080 157 15 5877 1 2.92 2.7195 14.117 157 15 5878 1 2.75 2.7993 13.954 157 15 5879 1 2.66 3.0679 13.444 157 15 5902 1 2.70 2.8646 13.916 157 15 5903 1 2.99 2.5350 13.816 157 15 5904 1 2.61 2.7464 13.800 157 15 5905 1 2.63 2.4443 14.011 157 15 5906 1 2.67 2.8153 13.748 157 15 5907 1 2.70 2.5072 14.065 157 15 5908 1 2.85 2.8021 13.754 157 15 5909 1 2.69 2.4944 13.833 157 15 5910 1 2.86 2.6567 13.657 157 15 5911 1 2.81 2.7725 13.519 157 15 5913 1 2.88 2.9409 13.233 157 15 5914 1 2.91 2.8382 14.031 157 15 5915 1 2.80 2.8145 13.662 157 15 5917 1 2.66 3.0625 13.468 157 15 5918 1 2.67 2.7052 13.877 157 15 5919 1 2.94 2.6359 14.048 157 15 5920 1 2.71 2.6801 13.715 157 15 5921 1 2.71 2.8222 13.831 157 15 5922 1 2.65 2.4801 13.904 157 15 5923 1 2.64 2.7814 13.898 157 15 5924 1 2.65 2.8256 13.881 157 15 5925 1 2.72 2.5175 12.995 157 15 5927 1 2.65 2.8316 13.880 157 15 5928 1 2.64 2.5978 13.901 157 15 5930 1 2.63 2.6854 13.806 157 15 5931 1 2.77 2.5723 13.837 157 15 5932 1 2.86 2.7218 13.981 157 15 5933 1 2.76 2.5046 13.372 157 15 5934 1 2.63 2.9324 13.671 157 15 5935 1 2.78 2.7558 13.417 157 15 5936 1 2.53 2.9471 13.610 157 15 5937 1 2.77 2.8581 13.508 157 15 5938 1 2.50 2.9213 13.580 157 15 5939 1 2.76 2.6351 13.850 157 15 5941 1 2.78 2.5741 13.866 157 15 5942 1 2.71 2.7044 13.629 157 15 5943 1 3.00 2.6521 13.648 157 15 5944 1 2.54 2.6484 13.774 157 15 5945 1 2.70 2.5107 13.659 157 15 5946 1 2.80 2.7987 13.772 157 15 5947 1 2.56 2.4837 13.725 157 15 5948 1 2.66 3.0215 13.848 157 15 5949 1 2.60 2.7208 13.882 157 15 5950 1 2.72 2.5155 13.703 157 15 5952 1 2.65 2.9781 13.673 157 15 5953 1 2.88 3.0683 13.521 157 15 5954 1 2.74 2.6783 13.614 157 15 5955 1 2.72 3.0811 13.503 157 15 5956 1 2.65 2.8468 13.695 157 15 5958 1 2.71 2.8027 13.609 157 15 5959 1 2.71 2.3700 13.462 157 15 5960 1 2.77 2.7470 14.024 157 15 5962 1 2.77 2.9388 13.471 157 15 5963 1 2.90 2.8921 13.759 157 15 5964 1 2.76 2.6226 14.218 157 15 5966 1 2.67 3.1058 13.611 157 15 5967 1 2.76 2.5929 13.440 157 15 5968 1 2.85 2.8141 13.740 157 15 5969 1 2.68 2.8892 13.584 157 15 5970 1 2.82 2.5943 13.716 157 15 5971 1 2.81 2.4669 13.632 157 15 5972 1 2.90 2.8023 13.853 157 15 5973 1 2.75 2.3418 13.627 157 15 5974 1 2.82 2.8432 13.580 157 15 5975 1 2.87 2.6082 13.589 157 15 5976 1 2.71 2.6772 13.639 157 15 5977 1 2.70 2.7494 13.289 157 15 5978 1 2.95 2.6601 13.490 157 15 5979 1 2.77 2.8429 13.835 157 15 5981 1 2.83 3.0376 13.657 157 15 5982 1 2.75 2.8859 14.050 157 15 5986 1 2.59 2.7133 13.954 157 15 5987 1 2.74 2.6191 13.906 157 15 5988 1 2.82 2.1003 14.145 157 15 5989 1 2.94 2.7019 13.931 157 15 5991 1 2.83 2.5773 13.854 157 15 5993 1 2.70 2.9600 13.653 157 15 5994 1 2.69 2.8416 13.575 157 15 5995 1 2.85 2.6130 13.706 157 15 5996 1 2.88 2.8470 13.659 157 15 5997 1 2.99 2.7777 13.289 157 15 5998 1 2.61 2.4871 13.594 157 15 5999 1 2.58 2.5693 14.079 157 15 6000 1 2.85 2.9435 13.761 157 15 6001 1 2.56 2.1075 13.508 157 15 6002 1 2.77 2.9968 13.916 157 15 6003 1 2.89 2.8273 13.539 157 15 6004 1 2.67 2.9493 13.664 157 15 6005 1 2.61 2.4880 13.462 157 15 6006 1 2.93 2.5027 13.983 157 15 6007 1 2.79 2.5906 13.614 157 15 6008 1 2.84 2.6850 13.938 157 15 6009 1 2.81 2.9015 13.794 157 15 6010 1 2.73 2.8220 13.905 157 15 6011 1 2.72 2.8190 13.735 157 15 7362 1 2.58 2.9763 13.232 157 15 7365 1 2.73 2.7183 12.771 157 15 7368 1 2.63 2.9427 13.592 157 15 7369 1 2.66 2.6906 13.616 157 15 7370 1 2.74 2.8992 13.431 157 15 7371 1 2.63 2.7143 13.278 157 15 7373 1 2.69 2.4606 13.694 157 15 7374 1 2.89 2.4047 13.354 157 15 7375 1 2.88 2.9974 13.716 157 15 7376 1 2.63 2.9445 14.127 157 15 7378 1 2.60 2.5376 13.337 157 15 7380 1 2.87 2.8558 13.875 157 15 7381 1 2.87 2.7278 13.868 157 15 7382 1 2.70 2.8576 13.986 157 15 7383 1 2.71 2.6862 13.778 157 15 7384 1 2.68 2.7837 13.276 157 15 7385 1 2.78 3.0839 14.008 157 15 7386 1 2.73 2.9851 14.207 157 15 7387 1 2.78 3.0058 14.217 157 15 7388 1 2.75 2.6827 13.723 157 15 7389 1 2.77 2.7193 14.341 157 15 7392 1 2.77 2.9354 14.093 157 15 7393 1 2.56 2.6648 13.796 157 15 7394 1 2.75 2.6818 14.095 157 15 7395 1 2.67 2.9554 13.281 157 15 7396 1 2.78 2.8167 13.701 157 15 7398 1 2.79 2.7305 13.723 157 15 7400 1 2.73 2.7269 14.030 157 15 7401 1 2.71 2.8280 13.688 157 15 7402 1 2.73 2.7117 13.777 157 15 7403 1 2.77 2.5798 13.912 157 15 7404 1 2.98 2.7058 14.138 157 15 7405 1 2.88 2.7371 13.731 157 15 7406 1 2.76 2.8996 13.575 157 15 7407 1 2.72 2.7413 13.435 157 15 7408 1 2.63 2.6806 13.759 157 15 7409 1 2.91 2.0423 13.758 157 15 7411 1 2.52 2.6077 13.562 157 15 7412 1 2.65 2.8128 13.518 157 15 7413 1 2.88 2.9530 13.853 157 15 7414 1 2.79 2.7640 13.810 157 15 7415 1 2.74 2.6513 14.025 157 15 7416 1 2.57 2.8042 14.181 157 15 7417 1 2.71 2.6008 14.208 157 15 7418 1 2.88 2.6431 14.095 157 15 7419 1 2.65 2.8152 14.385 157 15 7420 1 2.90 2.3586 13.889 157 15 7421 1 2.68 2.3910 13.957 157 15 7422 1 2.65 2.5753 13.965 157 15 7423 1 2.84 2.8565 14.065 157 15 7424 1 2.98 2.8559 13.810 157 15 7425 1 2.85 2.4336 13.825 157 15 7426 1 2.89 3.1335 13.953 157 15 7427 1 2.60 2.8680 14.088 157 15 7428 1 2.83 2.9010 13.854 157 15 7429 1 2.72 2.5835 13.863 157 15 7430 1 2.87 2.8360 13.954 157 15 7431 1 2.74 2.5813 13.914 157 15 7432 1 2.64 2.9244 14.012 157 15 7433 1 2.87 2.5209 14.110 157 15 7434 1 2.71 2.9898 14.345 157 15 7435 1 2.87 2.8567 13.807 157 15 7437 1 2.68 2.7472 14.299 157 15 7438 1 2.62 2.7693 13.803 157 15 7439 1 2.61 2.2940 13.791 157 15 7440 1 2.72 2.6161 13.965 157 15 7441 1 2.69 2.9644 13.556 157 15 7443 1 2.94 2.8614 13.965 157 15 7444 1 2.71 2.5258 13.554 157 15 7907 1 2.97 2.6233 12.833 157 15 7908 1 2.49 2.6198 12.713 157 15 7909 1 2.67 2.6142 12.668 157 15 7910 1 2.83 2.5961 12.916 157 15 7913 1 2.68 2.8178 12.944 157 15 7914 1 2.76 2.6176 12.989 157 15 7915 1 2.73 2.9006 12.611 157 15 7916 1 2.80 2.4109 12.742 157 15 7917 1 2.65 2.7067 12.657 157 15 9643 1 2.89 2.7495 11.743 ## Starting information for simulation # 16 ## Starting information for simulation # 17 ## Starting information for simulation # 18 ## Starting information for simulation # 19 ## Starting information for simulation # 20 ## Starting information for simulation # 21 ## Starting information for simulation # 22 ## Starting information for simulation # 23 ## Starting information for simulation # 24 ## Starting information for simulation # 25 157 25 5319 1 2.72 2.9509 10.672 ## Starting information for simulation # 26 ## 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