# Bonding information for index 344 -- 0MA_14@O6 0MA_12@H2O 0MA_12@O2 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 344 2 851 1 2.87 3.0744 13.592 344 2 972 1 2.76 2.6130 12.854 344 2 1040 1 2.79 2.7518 12.818 344 2 1041 1 2.74 2.6502 12.521 344 2 1042 1 2.78 2.9794 12.821 344 2 1043 1 2.67 2.8525 13.271 344 2 1044 1 2.74 2.6174 13.158 344 2 1045 1 2.52 2.6195 12.900 344 2 1046 1 2.79 3.0602 12.605 344 2 1047 1 2.62 2.7733 12.851 344 2 1048 1 2.95 2.3624 11.937 344 2 1051 1 2.86 2.6287 13.122 344 2 1053 1 2.81 2.5549 12.340 ## Starting information for simulation # 3 344 3 6271 1 2.70 2.4211 10.511 ## Starting information for simulation # 4 ## Starting information for simulation # 5 344 5 6902 1 2.70 3.0404 11.015 ## Starting information for simulation # 6 ## Starting information for simulation # 7 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 344 11 8305 1 2.80 3.0456 12.152 344 11 8306 1 2.83 2.9598 12.418 344 11 8307 1 2.87 2.7088 13.049 344 11 8309 1 2.89 2.6252 13.087 344 11 8310 1 2.79 2.6451 13.324 344 11 8314 1 2.84 2.8580 12.946 344 11 8315 1 2.99 2.1048 12.462 344 11 8316 1 2.81 2.8992 12.142 344 11 8317 1 2.65 2.8964 12.469 344 11 8338 1 2.85 2.5206 10.888 344 11 8339 1 2.78 2.9589 11.401 344 11 8340 1 2.81 2.2550 11.778 344 11 8343 1 2.83 2.1592 11.771 344 11 8344 1 2.99 1.8497 11.406 344 11 8366 1 2.82 3.0574 11.533 344 11 8368 1 2.90 1.7598 12.780 344 11 8370 1 2.82 2.0864 12.490 344 11 8372 1 2.88 2.4473 12.584 344 11 8373 1 2.86 2.7717 12.780 344 11 8375 1 2.77 2.3367 12.879 344 11 8377 1 2.88 2.4109 12.805 344 11 8379 1 2.77 2.4954 11.683 344 11 8380 1 2.90 2.6371 10.921 344 11 8440 1 2.75 2.7764 11.675 ## Starting information for simulation # 12 ## Starting information for simulation # 13 344 13 750 1 2.77 2.7694 11.019 344 13 754 1 2.93 2.7624 10.750 344 13 936 1 2.96 2.4512 11.135 344 13 938 1 2.86 2.6592 11.051 344 13 3883 1 2.73 2.7205 13.675 344 13 3884 1 2.75 2.9810 13.147 344 13 3885 1 2.74 2.8176 12.825 344 13 3886 1 2.83 2.5353 12.962 344 13 3887 1 2.82 2.2528 13.341 ## Starting information for simulation # 14 ## Starting information for simulation # 15 ## Starting information for simulation # 16 ## Starting information for simulation # 17 344 17 2074 1 2.92 2.5237 14.301 344 17 2076 1 2.70 2.5709 14.277 344 17 2083 1 2.63 2.6820 13.887 344 17 3820 1 2.76 2.7227 12.285 344 17 3821 1 2.73 2.8194 12.225 344 17 3822 1 2.70 2.7967 12.170 344 17 3823 1 2.97 2.5344 12.436 344 17 3824 1 2.94 2.7408 12.343 344 17 3825 1 2.92 2.8331 12.527 344 17 3826 1 2.87 2.8824 12.822 344 17 3828 1 2.98 2.4861 12.660 344 17 3829 1 2.71 2.6890 12.745 344 17 3883 1 2.67 2.9620 12.664 344 17 3884 1 2.80 2.8736 12.600 344 17 3886 1 2.77 2.9762 12.429 344 17 3887 1 2.74 2.8241 12.499 344 17 3954 1 2.94 3.0290 13.095 344 17 3955 1 2.80 2.5095 13.043 344 17 3956 1 2.97 2.9593 13.070 344 17 3957 1 2.98 2.5534 12.600 ## Starting information for simulation # 18 ## Starting information for simulation # 19 ## Starting information for simulation # 20 ## Starting information for simulation # 21 ## Starting information for simulation # 22 344 22 4703 1 2.91 2.8574 12.736 344 22 4706 1 2.75 2.3766 12.830 344 22 4770 1 2.58 3.0185 12.619 344 22 4772 1 2.89 2.5995 13.259 344 22 5440 1 2.60 2.7823 12.359 344 22 5441 1 2.68 2.8883 12.276 344 22 5442 1 2.83 2.9156 12.216 344 22 5445 1 2.90 3.0475 12.891 344 22 5598 1 2.97 2.3761 12.669 344 22 5602 1 3.00 2.2976 12.932 344 22 5603 1 2.74 2.8441 13.443 344 22 5614 1 2.75 2.2382 13.127 344 22 5624 1 2.99 2.1126 12.696 344 22 5625 1 2.94 2.3994 12.650 344 22 5626 1 2.79 2.5930 12.531 344 22 5648 1 2.83 2.4756 12.922 344 22 5650 1 2.96 2.2273 12.746 344 22 5653 1 2.99 2.6325 12.769 344 22 5654 1 2.83 2.7520 12.579 344 22 5655 1 2.90 2.2548 12.611 344 22 5656 1 2.98 2.6450 12.860 344 22 5657 1 2.83 2.4970 12.627 344 22 5658 1 2.96 2.8945 12.466 344 22 5659 1 2.98 1.9818 11.998 344 22 5661 1 2.99 2.5464 12.587 344 22 5663 1 2.87 2.4486 12.565 344 22 5669 1 2.72 2.8427 13.091 344 22 5670 1 2.91 2.4106 12.686 344 22 5677 1 2.87 1.8429 12.614 344 22 5679 1 2.78 2.9525 12.462 344 22 5680 1 2.93 2.2529 12.103 344 22 5681 1 2.86 2.0681 11.943 344 22 5686 1 2.83 1.8531 12.317 344 22 5735 1 2.67 2.4078 12.382 344 22 5872 1 2.91 2.6895 12.574 344 22 5897 1 2.89 2.9532 12.616 344 22 5899 1 2.89 1.8956 12.269 344 22 5901 1 2.64 2.5655 12.448 344 22 5905 1 2.67 2.9126 12.023 344 22 5914 1 2.85 2.2693 12.323 344 22 5916 1 2.79 2.9853 12.329 344 22 5956 1 2.84 1.8897 12.512 344 22 5960 1 2.71 2.5588 13.043 344 22 6016 1 2.89 3.0341 12.959 344 22 6136 1 2.99 3.0306 12.744 344 22 6137 1 2.86 2.4603 12.558 344 22 6138 1 2.79 2.9380 12.606 344 22 6139 1 2.91 3.0201 12.816 344 22 6169 1 2.65 3.0635 11.985 344 22 6170 1 2.98 2.1801 12.428 344 22 6173 1 2.92 2.1762 12.277 344 22 6180 1 2.72 2.5255 13.323 344 22 6183 1 2.82 2.9458 12.828 344 22 6185 1 2.65 2.9469 12.791 344 22 6186 1 2.97 2.5882 12.478 344 22 6190 1 2.97 1.8753 12.888 344 22 6191 1 2.96 2.1140 13.030 344 22 6192 1 2.72 1.9748 13.167 344 22 6194 1 2.85 2.5064 12.962 344 22 6363 1 2.92 2.3621 12.802 344 22 6374 1 2.98 2.6182 12.969 344 22 7710 1 2.72 2.4955 12.876 344 22 7717 1 2.70 2.6171 11.923 344 22 8225 1 2.80 2.9436 12.728 344 22 8418 1 2.91 2.6939 13.775 344 22 8419 1 2.89 2.5325 13.360 344 22 8420 1 2.61 2.9768 13.477 344 22 8421 1 2.91 2.8700 13.078 344 22 8438 1 2.89 1.8061 12.593 344 22 8460 1 2.90 2.5588 12.484 344 22 8461 1 2.94 2.8349 12.753 344 22 8462 1 2.76 2.9796 12.703 344 22 8463 1 2.81 2.5078 13.538 344 22 8464 1 2.81 1.8103 13.528 344 22 8589 1 2.80 2.4915 12.998 344 22 8590 1 2.73 2.7799 12.726 344 22 8623 1 2.96 1.8056 13.440 344 22 8640 1 2.74 1.7971 12.780 344 22 9683 1 2.86 2.3284 12.556 344 22 9684 1 2.73 2.8521 12.257 344 22 9686 1 2.71 2.8125 12.525 344 22 9687 1 2.66 2.6060 12.082 344 22 9688 1 2.61 3.0057 12.297 344 22 9690 1 2.92 2.2510 12.077 344 22 9821 1 2.65 2.9044 11.900 344 22 9822 1 2.93 2.3540 12.345 344 22 9825 1 2.61 2.6375 11.776 344 22 9870 1 2.87 2.7566 12.606 344 22 9878 1 2.79 2.5426 12.710 344 22 9893 1 2.85 2.5008 13.412 344 22 9899 1 2.77 2.1702 12.700 344 22 9903 1 2.90 2.1269 12.329 344 22 9906 1 2.92 2.3096 12.968 344 22 9909 1 2.91 2.4618 13.114 ## Starting information for simulation # 23 ## Starting information for simulation # 24 ## Starting information for simulation # 25 ## Starting information for simulation # 26 ## Starting information for simulation # 27 ## Starting information for simulation # 28 ## Starting information for simulation # 29 344 29 2598 1 2.96 2.3171 13.285 ## 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 ## Starting information for simulation # 35 ## Starting information for simulation # 36