# Bonding information for index 130 -- 0MA_13@O2 0MA_14@H3O 0MA_14@O3 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 130 2 6117 1 2.68 2.9617 10.261 130 2 6119 1 2.72 3.0363 10.934 ## Starting information for simulation # 3 130 3 699 1 2.96 2.4215 12.599 130 3 863 1 2.89 2.8132 12.030 130 3 1680 1 2.75 2.7089 11.756 130 3 1681 1 2.71 2.7964 11.900 130 3 1684 1 2.79 2.7105 12.374 130 3 1685 1 2.98 2.8100 12.238 130 3 1906 1 2.92 2.9435 12.147 130 3 1907 1 2.81 2.3054 11.943 130 3 2056 1 2.77 2.2834 11.652 130 3 2883 1 2.87 1.7752 11.283 130 3 3412 1 2.93 2.7381 12.188 130 3 3737 1 2.98 2.0832 12.175 130 3 3836 1 2.97 2.2301 12.056 130 3 5331 1 2.75 3.0314 13.081 130 3 5393 1 2.68 2.9973 12.571 130 3 5394 1 2.74 2.4419 12.100 130 3 5586 1 2.98 2.0322 12.237 130 3 5695 1 2.94 2.6213 12.758 130 3 5858 1 2.97 1.8781 11.510 130 3 5983 1 2.68 3.0078 10.424 130 3 5984 1 2.89 1.7583 10.098 130 3 6325 1 2.89 2.5499 10.355 130 3 6991 1 2.74 2.8943 10.844 130 3 7147 1 2.92 2.7203 10.779 130 3 8514 1 2.87 2.6055 10.387 130 3 8573 1 2.89 2.3181 10.481 130 3 8584 1 2.78 1.9705 10.289 130 3 8849 1 2.80 2.6157 11.017 130 3 9853 1 2.93 1.8672 10.645 ## Starting information for simulation # 4 130 4 1305 1 2.69 2.8970 12.006 130 4 1399 1 2.99 2.6854 12.066 130 4 1400 1 2.86 2.8070 11.899 130 4 1402 1 3.00 2.4033 12.136 130 4 1403 1 2.83 2.3402 12.063 130 4 1440 1 2.65 3.0266 12.032 130 4 1441 1 2.90 2.8252 11.893 130 4 1442 1 2.76 2.7972 12.364 130 4 1443 1 2.85 2.6383 12.215 130 4 1444 1 2.94 2.7809 12.230 130 4 1548 1 2.88 2.9248 12.252 130 4 1560 1 2.93 2.9800 11.754 130 4 1590 1 2.95 2.3939 12.258 130 4 1591 1 2.77 2.7031 12.395 130 4 1593 1 2.57 2.6465 12.229 130 4 1594 1 2.85 3.0532 12.246 130 4 1595 1 2.95 2.5930 12.014 130 4 1596 1 2.77 2.9559 12.052 130 4 1597 1 2.93 2.7127 12.051 130 4 1623 1 2.73 2.5280 12.310 130 4 1624 1 2.85 2.8603 12.520 130 4 1685 1 2.80 2.7306 12.092 130 4 1704 1 2.65 2.9249 11.954 130 4 1710 1 2.86 2.3770 12.268 130 4 1711 1 2.76 2.6292 11.766 130 4 1714 1 2.67 2.8456 12.075 130 4 1715 1 2.80 2.6483 11.897 130 4 1716 1 2.79 2.8498 11.880 130 4 1717 1 2.79 2.8977 11.804 130 4 1718 1 2.87 2.6039 11.867 130 4 1721 1 2.65 2.8021 11.756 130 4 1723 1 2.79 2.8967 12.079 130 4 2783 1 2.54 2.8991 10.037 130 4 2785 1 2.64 2.6611 10.771 130 4 2786 1 2.91 2.5028 9.641 130 4 2787 1 2.82 2.7560 10.339 130 4 2789 1 2.70 2.4965 10.491 130 4 2798 1 2.71 2.9371 9.915 130 4 2799 1 2.58 2.6151 10.191 130 4 2801 1 2.58 3.0153 10.478 130 4 2802 1 2.75 2.8659 9.322 130 4 2803 1 2.82 2.9658 9.911 130 4 2804 1 2.87 2.8581 9.869 130 4 2811 1 2.70 2.7360 10.684 130 4 8755 1 2.86 3.0179 10.660 ## Starting information for simulation # 5 130 5 111 1 2.97 2.9857 9.604 130 5 537 1 2.99 2.2421 11.657 130 5 591 1 2.64 2.4980 11.813 ## Starting information for simulation # 6 130 6 1231 1 2.79 3.0408 11.462 130 6 4231 1 2.98 2.1847 9.861 130 6 4232 1 2.92 2.0402 10.281 130 6 4242 1 2.89 2.6355 10.249 ## Starting information for simulation # 7 ## Starting information for simulation # 8 130 8 69 1 2.86 2.5666 9.328 130 8 74 1 2.71 2.8271 9.613 130 8 75 1 2.75 2.8812 10.183 130 8 91 1 2.50 2.6260 8.938 130 8 92 1 2.82 2.6639 9.345 130 8 717 1 2.90 2.9322 10.059 130 8 728 1 2.87 1.9176 10.736 130 8 730 1 2.95 2.7848 10.109 130 8 732 1 2.98 2.3813 10.111 130 8 733 1 2.75 2.6191 9.965 130 8 735 1 2.86 2.8789 9.429 130 8 785 1 2.97 2.1705 9.750 130 8 812 1 2.94 2.3849 9.921 130 8 1631 1 2.96 2.4112 9.106 130 8 1660 1 2.96 2.1035 9.377 130 8 1691 1 2.73 2.5611 10.080 130 8 1716 1 2.83 2.3170 9.429 130 8 1730 1 2.99 2.5089 10.278 130 8 3074 1 2.74 2.9762 10.427 130 8 3338 1 2.74 2.9035 9.625 130 8 3340 1 2.96 1.8923 9.347 130 8 3364 1 2.75 1.9840 10.338 130 8 3489 1 2.95 2.2951 9.405 130 8 3591 1 2.63 2.7215 9.203 130 8 3608 1 2.89 2.5756 8.836 130 8 3609 1 2.73 2.9129 9.285 130 8 3610 1 2.84 2.8134 8.721 130 8 3998 1 2.75 2.6232 10.184 130 8 4268 1 2.98 2.6465 10.732 130 8 4402 1 2.66 2.8583 11.161 130 8 4426 1 2.75 2.4189 10.436 130 8 4664 1 2.70 2.7860 10.264 130 8 4665 1 2.55 2.8332 9.971 130 8 4689 1 2.92 2.9840 8.501 130 8 5156 1 2.83 2.7081 9.734 130 8 5157 1 2.63 2.7517 10.464 130 8 5158 1 2.70 2.8262 10.743 130 8 5172 1 2.92 2.8459 10.966 130 8 5173 1 2.75 2.5082 10.714 130 8 5202 1 2.82 3.0720 10.260 130 8 5262 1 2.82 2.9906 9.896 130 8 5267 1 2.70 2.7773 10.903 130 8 5271 1 2.75 2.7134 10.793 130 8 5272 1 2.72 2.7566 10.840 130 8 5273 1 2.85 2.8117 10.267 130 8 5274 1 2.84 2.5113 10.817 130 8 5283 1 2.64 2.7162 11.028 130 8 5419 1 2.90 3.0132 10.333 130 8 5426 1 2.91 3.0292 10.893 130 8 5740 1 2.79 2.6725 10.065 130 8 5741 1 2.72 2.2415 8.917 130 8 5844 1 2.95 2.7754 10.018 130 8 5845 1 2.83 2.9426 10.814 130 8 5846 1 2.85 2.6121 10.690 130 8 5847 1 2.94 2.8962 10.043 130 8 5848 1 2.83 2.7625 10.646 130 8 5849 1 2.77 2.5264 10.766 130 8 5850 1 2.84 2.9802 10.396 130 8 5863 1 2.80 2.7609 10.402 130 8 5864 1 2.81 2.0476 10.928 130 8 5945 1 2.92 2.8021 10.741 130 8 5946 1 2.86 2.6435 11.401 130 8 5961 1 2.76 2.8265 11.665 130 8 6637 1 2.82 3.0825 9.048 130 8 6897 1 2.87 2.8589 9.766 130 8 7002 1 2.86 2.6975 10.202 130 8 7022 1 2.87 1.9368 10.719 130 8 7629 1 2.80 2.7598 7.937 130 8 7690 1 2.95 2.7210 9.558 130 8 7750 1 3.00 2.6787 10.574 130 8 7751 1 2.75 2.7514 10.407 130 8 7848 1 2.82 3.0924 9.508 130 8 7850 1 2.84 2.7137 9.732 130 8 7851 1 2.81 2.7750 9.087 130 8 7852 1 2.98 2.7600 8.886 130 8 7853 1 2.85 3.0523 9.195 130 8 7854 1 2.93 2.5482 8.390 130 8 7860 1 2.71 2.6152 8.865 130 8 7868 1 2.87 2.7705 9.416 130 8 7883 1 2.93 1.9690 9.996 130 8 8041 1 2.96 2.1953 10.533 130 8 8055 1 2.61 2.5615 10.126 130 8 8056 1 2.89 2.7418 10.613 130 8 8256 1 2.94 2.7978 9.475 130 8 8566 1 2.86 2.2616 10.195 130 8 8835 1 2.99 2.2652 9.835 130 8 8865 1 2.99 2.4994 10.407 130 8 9048 1 2.84 2.7863 10.303 130 8 9064 1 2.98 2.4220 10.313 130 8 9068 1 2.91 2.0057 10.545 130 8 9076 1 2.92 2.3640 10.071 130 8 9637 1 2.77 2.4213 10.185 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 ## Starting information for simulation # 12 ## Starting information for simulation # 13 ## Starting information for simulation # 14 130 14 3924 1 2.73 2.6628 8.447 130 14 3930 1 2.89 2.2373 8.767 130 14 3932 1 2.88 2.6886 8.789 130 14 4148 1 2.99 2.2745 9.682 130 14 4335 1 2.66 2.7635 8.677 130 14 4602 1 2.99 1.9126 9.402 ## Starting information for simulation # 15 130 15 7576 1 2.65 2.8390 11.137 130 15 7928 1 2.98 2.1984 12.892 ## Starting information for simulation # 16 130 16 1898 1 2.84 2.7307 6.168 ## Starting information for simulation # 17 130 17 888 1 2.86 2.8862 12.403 130 17 900 1 2.67 2.9103 11.278 130 17 901 1 2.60 2.9026 11.768 130 17 1356 1 2.64 2.6430 11.484 130 17 1637 1 2.75 2.9576 11.332 130 17 2029 1 2.67 2.8358 12.077 130 17 2033 1 2.96 2.0341 11.730 130 17 2386 1 2.86 2.9840 12.455 130 17 2391 1 2.91 2.5577 12.267 130 17 2500 1 2.92 2.7758 10.495 130 17 3004 1 2.86 2.2771 9.412 130 17 3021 1 2.92 2.6022 10.466 130 17 3515 1 2.95 2.2323 11.285 130 17 3539 1 2.90 2.9585 11.257 130 17 3759 1 2.78 1.7703 11.183 130 17 4699 1 2.76 1.9757 8.991 130 17 4706 1 2.82 1.8136 9.381 130 17 5237 1 2.96 2.8942 9.884 130 17 6843 1 3.00 1.7566 9.730 130 17 7095 1 2.91 2.8843 9.260 130 17 7111 1 2.72 3.0260 7.871 130 17 7206 1 2.88 1.9675 8.027 130 17 7225 1 2.74 2.3749 9.365 130 17 7226 1 2.95 1.9170 9.345 130 17 7259 1 2.99 1.7509 10.192 130 17 7260 1 2.70 2.7502 10.406 130 17 7425 1 2.87 2.6073 11.122 130 17 7426 1 2.72 3.0378 10.862 130 17 8378 1 2.88 1.9801 12.679 130 17 8431 1 2.98 2.7125 12.582 130 17 8432 1 2.71 2.6385 12.584 130 17 8434 1 2.83 2.6626 12.461 130 17 8464 1 2.93 2.2721 12.411 130 17 8751 1 2.75 2.6655 12.712 130 17 8752 1 2.89 2.5342 12.518 ## Starting information for simulation # 18 ## Starting information for simulation # 19 ## Starting information for simulation # 20 130 20 9492 1 2.92 1.9815 9.177 130 20 9771 1 2.94 3.0735 8.527 130 20 9876 1 2.94 2.9563 9.078 ## Starting information for simulation # 21 130 21 1454 1 2.96 1.7823 9.317 ## Starting information for simulation # 22 ## Starting information for simulation # 23 ## Starting information for simulation # 24 ## Starting information for simulation # 25 130 25 6238 1 2.71 2.5555 10.101 130 25 6240 1 2.91 1.9924 10.803 130 25 6252 1 2.67 2.9217 10.994 130 25 6253 1 2.76 2.9165 11.354 130 25 6254 1 2.69 2.7738 10.998 130 25 6256 1 2.77 2.9235 10.738 130 25 6257 1 2.83 2.6965 9.835 130 25 6258 1 2.89 2.7655 9.662 130 25 8918 1 2.96 2.0605 13.072 130 25 9057 1 3.00 1.8498 12.752 130 25 9200 1 2.72 2.1437 13.171 130 25 9493 1 2.78 2.4854 11.981 130 25 9541 1 2.99 1.8478 11.721 ## Starting information for simulation # 26 130 26 537 1 2.81 2.8105 8.529 130 26 539 1 2.75 2.5095 8.206 130 26 540 1 2.59 2.9965 8.368 130 26 710 1 2.79 2.8144 8.224 ## Starting information for simulation # 27 130 27 2395 1 2.96 2.0255 11.826 130 27 2555 1 2.83 2.3452 11.766 130 27 2556 1 2.76 2.9549 11.910 130 27 3189 1 2.88 2.8413 11.035 130 27 3190 1 2.60 2.5847 11.225 130 27 3191 1 2.86 2.7186 11.067 130 27 6389 1 2.72 2.9169 11.034 130 27 7873 1 2.98 2.8695 10.241 130 27 8710 1 2.90 2.6884 13.408 130 27 8711 1 2.88 2.7418 13.094 130 27 8712 1 2.71 2.9927 13.513 130 27 8714 1 2.67 2.8582 13.379 130 27 8716 1 2.71 2.9953 13.232 130 27 8717 1 2.82 2.8764 13.056 130 27 8719 1 2.78 2.9886 12.741 130 27 8720 1 2.63 2.8113 13.106 130 27 8721 1 2.84 2.5514 13.100 130 27 8722 1 2.69 2.9650 13.302 130 27 8723 1 2.82 2.9623 13.225 130 27 8724 1 2.85 2.9092 12.457 ## Starting information for simulation # 28 130 28 9424 1 3.00 2.2180 11.917 130 28 9432 1 2.64 2.6581 12.301 ## Starting information for simulation # 29 ## Starting information for simulation # 30 ## Starting information for simulation # 31 130 31 51 1 2.71 2.7624 9.941 130 31 189 1 2.75 2.9356 10.364 130 31 192 1 2.92 2.7803 10.250 130 31 539 1 2.77 2.7419 10.727 130 31 829 1 2.83 2.6476 10.746 130 31 1007 1 2.99 2.3862 10.599 130 31 1212 1 2.75 2.5804 9.874 130 31 1339 1 2.77 3.0743 10.502 130 31 2195 1 2.96 2.0773 10.359 130 31 2495 1 2.79 2.7117 10.994 130 31 2496 1 2.94 2.6851 11.062 130 31 2497 1 2.83 2.8972 10.961 130 31 2504 1 2.99 2.0021 10.315 130 31 2520 1 2.85 2.7265 10.351 130 31 2681 1 2.69 2.9165 10.911 130 31 2859 1 2.73 2.8310 10.582 130 31 3086 1 2.95 1.8997 11.209 130 31 3161 1 2.98 2.6481 10.604 130 31 3180 1 2.88 2.6337 10.951 130 31 3223 1 2.75 2.3767 10.283 130 31 3241 1 2.65 3.1048 10.595 130 31 3252 1 2.90 2.9482 11.157 130 31 3253 1 2.94 3.0160 11.962 130 31 3254 1 2.80 2.8510 12.458 ## Starting information for simulation # 32 ## Starting information for simulation # 33 130 33 979 1 2.68 3.0507 12.106 130 33 981 1 2.73 2.3842 12.258 130 33 984 1 2.97 2.7342 11.716 130 33 985 1 2.71 2.7370 11.488 130 33 986 1 2.98 2.6256 12.175 130 33 987 1 2.79 2.6009 11.442 130 33 988 1 2.75 2.6474 11.536 130 33 990 1 2.87 2.6632 11.384 130 33 991 1 2.76 2.8717 11.760 130 33 992 1 2.71 2.8620 12.204 130 33 993 1 2.64 3.0047 12.279 130 33 994 1 2.98 2.6904 12.235 130 33 995 1 2.65 2.8648 12.553 130 33 996 1 2.71 2.7590 11.898 130 33 998 1 2.65 2.9607 11.931 130 33 999 1 2.80 2.8815 11.621 130 33 1000 1 2.66 2.8579 11.832 130 33 1001 1 2.94 2.7217 11.896 130 33 1003 1 2.83 2.8607 11.255 130 33 1004 1 2.71 2.5830 11.156 130 33 1005 1 2.78 2.5231 11.766 130 33 1006 1 2.74 2.8482 11.581 130 33 1007 1 2.74 2.6682 11.807 130 33 1008 1 2.82 2.8816 11.804 130 33 1009 1 2.86 2.3573 11.321 130 33 1010 1 2.70 2.7325 11.602 130 33 1011 1 2.71 2.7728 11.617 130 33 1012 1 2.94 2.7077 11.928 130 33 1013 1 2.74 2.5864 11.746 130 33 1014 1 2.81 2.6222 11.455 130 33 1015 1 2.85 2.8691 11.519 130 33 1016 1 2.67 3.0196 11.250 130 33 1018 1 2.65 3.0312 11.408 130 33 1019 1 2.92 2.4147 11.760 130 33 1020 1 2.84 2.9552 11.258 130 33 1021 1 2.85 2.7578 11.655 130 33 1023 1 2.57 2.8669 11.333 130 33 1024 1 2.78 2.9906 11.719 130 33 1025 1 2.74 2.5498 12.153 ## Starting information for simulation # 34 ## Starting information for simulation # 35 130 35 7927 1 2.69 2.6475 11.407 130 35 8023 1 2.83 2.2142 11.767 130 35 8200 1 2.79 2.7677 12.171 130 35 8202 1 2.80 2.8984 11.970 130 35 8525 1 2.97 2.2030 12.854 130 35 8583 1 2.93 2.9926 12.618 130 35 9541 1 2.83 3.0787 11.648 130 35 9567 1 2.95 3.0321 11.748 130 35 9878 1 2.75 2.8020 11.315 130 35 9879 1 3.00 2.4151 11.632 130 35 9938 1 2.88 1.8308 11.803 130 35 9972 1 2.90 2.5467 12.308 ## Starting information for simulation # 36