# Bonding information for index 493 -- ACE_1@O 0MA_12@H2O 0MA_12@O2 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 493 1 7700 2 2.93 2.8558 8.390 493 1 7989 2 2.79 2.6101 7.592 493 1 8040 2 2.76 2.6854 7.913 493 1 8340 2 2.83 2.6904 7.581 493 1 8467 2 2.92 2.7287 7.767 493 1 8677 2 2.84 2.7342 7.890 493 1 8678 2 2.84 2.2824 7.502 493 1 8679 2 2.72 2.7521 7.480 493 1 8682 2 2.99 2.6344 7.509 493 1 8841 2 2.93 2.9091 7.631 493 1 8842 2 2.79 2.8571 7.510 493 1 8844 2 2.86 2.9882 7.819 493 1 8845 2 2.73 2.7298 6.853 493 1 8846 2 2.94 2.2442 6.872 ## Starting information for simulation # 2 ## Starting information for simulation # 3 493 3 9821 2 2.66 2.8883 11.318 493 3 9822 2 2.64 2.8984 11.586 ## Starting information for simulation # 4 493 4 4132 2 2.67 2.7857 12.150 493 4 4166 2 2.95 2.5319 12.214 ## Starting information for simulation # 5 ## Starting information for simulation # 6 493 6 2015 2 2.87 3.0534 11.529 ## Starting information for simulation # 7 493 7 373 2 2.75 2.5806 10.651 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 493 10 701 2 2.81 2.9835 10.002 493 10 702 2 2.92 2.7153 9.926 493 10 703 2 2.90 2.2259 9.970 493 10 704 2 2.81 2.7825 9.964 493 10 705 2 2.76 2.3399 10.838 493 10 706 2 2.81 2.7299 10.862 493 10 870 2 2.88 1.9835 8.717 493 10 1286 2 2.99 2.0933 9.872 493 10 1295 2 2.88 2.3886 9.344 493 10 7340 2 2.91 2.8895 11.556 493 10 7771 2 2.74 2.8935 9.004 493 10 8810 2 2.58 2.6018 10.987 493 10 8811 2 2.66 2.8663 11.009 493 10 8812 2 2.93 2.9795 11.653 493 10 9218 2 2.75 2.7188 8.806 493 10 9220 2 2.93 2.3797 9.115 493 10 9365 2 2.93 2.4055 12.130 493 10 9585 2 2.82 2.5008 7.969 ## 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 ## Starting information for simulation # 16 ## Starting information for simulation # 17 493 17 1229 2 2.96 2.9439 13.671 ## Starting information for simulation # 18 ## Starting information for simulation # 19 ## Starting information for simulation # 20 ## Starting information for simulation # 21 ## Starting information for simulation # 22 493 22 350 2 2.72 2.9841 12.679 ## Starting information for simulation # 23 ## Starting information for simulation # 24 ## Starting information for simulation # 25 ## Starting information for simulation # 26 493 26 1260 2 2.88 2.8080 10.403 493 26 1599 2 2.96 3.0051 7.554 ## Starting information for simulation # 27 ## Starting information for simulation # 28 ## Starting information for simulation # 29 493 29 5526 2 2.80 2.8956 13.084 493 29 5527 2 2.73 2.7934 12.885 ## Starting information for simulation # 30 ## Starting information for simulation # 31 ## Starting information for simulation # 32 493 32 363 2 2.78 2.4913 11.665 493 32 364 2 2.78 2.0280 12.439 493 32 613 2 2.95 2.5078 10.738 ## Starting information for simulation # 33 ## Starting information for simulation # 34 ## Starting information for simulation # 35 ## Starting information for simulation # 36 493 36 49 2 2.89 2.2995 10.575 493 36 52 2 2.94 2.8434 11.431 493 36 54 2 2.86 2.1544 11.234 493 36 55 2 2.54 2.6640 11.206 493 36 56 2 2.69 3.0437 10.869 493 36 140 2 2.99 1.8504 8.921 493 36 143 2 2.58 2.8925 8.605 493 36 144 2 2.65 2.7549 8.658 493 36 145 2 2.86 2.7178 8.787 493 36 146 2 2.78 2.7906 8.253 493 36 147 2 2.70 3.0334 8.862 493 36 148 2 2.85 2.8363 8.977 493 36 149 2 2.83 2.8105 8.897 493 36 150 2 2.75 2.8055 9.160 493 36 151 2 2.89 3.0051 9.172 493 36 152 2 2.73 3.0710 9.312 493 36 153 2 2.62 2.6165 8.930 493 36 156 2 2.61 2.9232 8.283 493 36 356 2 2.65 2.8600 7.848 493 36 377 2 2.66 2.7634 7.204 493 36 378 2 2.90 2.9919 7.412 493 36 379 2 2.93 2.6874 7.627 493 36 384 2 2.90 2.6338 8.345 493 36 387 2 2.71 2.7205 9.754 493 36 388 2 2.60 2.6543 9.811 493 36 389 2 2.94 2.8962 10.048 493 36 539 2 2.92 2.7486 8.570 493 36 540 2 2.58 2.8861 8.178 493 36 638 2 2.78 2.3490 6.929 493 36 648 2 2.90 2.5946 7.122 493 36 649 2 2.74 2.3799 6.667 493 36 680 2 2.88 2.8977 7.883 493 36 682 2 2.89 2.5239 8.193 493 36 683 2 2.73 2.1886 8.812 493 36 685 2 2.58 2.8297 8.521 493 36 686 2 2.77 2.7914 8.027 493 36 687 2 2.71 2.7999 8.126 493 36 688 2 2.65 2.9978 8.234 493 36 689 2 2.71 2.8063 8.360 493 36 690 2 2.75 2.9315 8.354 493 36 691 2 2.55 2.9701 7.986 493 36 692 2 2.57 2.8492 8.672 493 36 693 2 2.74 2.5615 8.713 493 36 709 2 2.77 2.7373 8.871 493 36 747 2 2.73 2.8211 9.036 493 36 748 2 2.90 2.5338 8.683 493 36 755 2 2.47 2.5216 8.388 493 36 756 2 2.88 2.9119 8.903 493 36 757 2 2.67 3.0779 8.576 493 36 759 2 2.56 2.6157 8.731 493 36 780 2 2.73 2.6362 8.124 493 36 781 2 2.82 2.6706 8.465 493 36 782 2 2.70 2.6720 8.510 493 36 783 2 2.68 2.2708 7.581 493 36 787 2 2.68 2.7555 8.294 493 36 788 2 2.72 2.8402 8.178 493 36 789 2 2.63 2.8700 8.263 493 36 790 2 2.77 3.0292 7.896 493 36 791 2 2.87 2.3430 7.845 493 36 1045 2 2.76 2.8700 8.738 493 36 5567 2 2.79 2.7160 9.658 493 36 5573 2 2.60 2.7741 10.068 493 36 5594 2 2.86 2.5292 9.499 493 36 5595 2 2.55 2.6879 10.342 493 36 5596 2 2.77 2.5494 10.282 493 36 5597 2 2.71 2.9168 10.211 493 36 5600 2 2.72 2.1675 9.364 493 36 5601 2 2.48 2.8786 9.506 493 36 5602 2 2.67 2.7275 9.543 493 36 6786 2 2.62 2.7869 8.626