# Bonding information for index 800 -- PRO_2@O 0MA_15@H2O 0MA_15@O2 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 ## Starting information for simulation # 3 800 3 7907 2 2.80 2.7396 9.502 800 3 8263 2 2.65 2.9084 7.399 ## Starting information for simulation # 4 ## Starting information for simulation # 5 ## 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 ## Starting information for simulation # 12 800 12 5803 2 2.88 2.5812 7.604 800 12 5804 2 2.67 3.0190 7.531 800 12 5805 2 2.67 2.5965 7.599 800 12 5806 2 2.63 2.9484 7.856 800 12 5997 2 2.69 2.5818 7.624 800 12 7198 2 2.64 2.8549 7.291 800 12 7199 2 2.45 2.9836 7.449 800 12 7200 2 2.70 2.7256 7.730 800 12 7494 2 2.99 2.4962 8.037 800 12 7517 2 2.89 2.6505 7.216 800 12 7623 2 2.95 2.5937 7.685 800 12 8189 2 2.88 2.8124 8.209 800 12 8251 2 2.61 2.6432 7.941 800 12 8998 2 2.68 2.8868 7.764 800 12 8999 2 2.96 2.6349 7.403 800 12 9001 2 2.61 2.8660 7.982 800 12 9002 2 2.67 2.9873 7.619 800 12 9003 2 2.56 2.7334 7.378 ## Starting information for simulation # 13 ## Starting information for simulation # 14 ## Starting information for simulation # 15 800 15 9725 2 2.67 3.0159 11.107 800 15 9726 2 2.86 2.9301 11.627 800 15 9727 2 2.73 2.8241 11.117 800 15 9728 2 2.90 1.8022 11.594 800 15 9729 2 2.91 1.9439 11.126 800 15 9730 2 2.66 3.0434 11.767 800 15 9733 2 2.93 3.0361 10.779 800 15 9734 2 2.69 2.8653 11.232 800 15 9735 2 2.64 2.9006 11.211 800 15 9737 2 2.76 2.9086 11.441 800 15 9738 2 2.83 2.4469 11.808 800 15 9739 2 2.71 2.6589 11.873 800 15 9740 2 2.64 2.8697 11.790 800 15 9741 2 2.66 2.7366 10.846 800 15 9742 2 2.62 2.9987 11.065 800 15 9743 2 2.74 2.9509 11.578 800 15 9744 2 2.82 2.8160 11.122 800 15 9750 2 2.91 2.5978 11.619 800 15 9751 2 2.86 1.7779 11.095 800 15 9827 2 2.78 1.9875 11.560 800 15 9829 2 2.98 2.4893 11.425 800 15 9832 2 2.74 2.5409 11.675 800 15 9837 2 2.89 1.8027 11.212 800 15 9883 2 2.76 2.9385 11.451 800 15 9884 2 2.66 2.6653 11.862 800 15 9885 2 2.85 2.7344 11.640 800 15 9886 2 2.52 2.6108 11.921 800 15 9887 2 2.70 2.4844 11.843 800 15 9888 2 2.77 2.4362 12.311 800 15 9889 2 2.67 2.8427 11.313 800 15 9891 2 2.71 2.9437 11.395 800 15 9892 2 2.61 3.0965 11.399 800 15 9898 2 2.64 3.0115 11.563 800 15 9899 2 2.75 2.8978 11.301 800 15 9902 2 2.86 2.4749 12.302 800 15 9903 2 2.98 2.5329 11.241 800 15 9904 2 2.76 2.8590 11.217 800 15 9905 2 2.70 2.9228 11.938 800 15 9906 2 2.67 2.3831 11.994 800 15 9907 2 2.82 2.5686 11.690 800 15 9909 2 2.82 2.9140 11.864 800 15 9910 2 2.61 2.6064 11.710 800 15 9911 2 2.74 2.9333 11.264 800 15 9912 2 2.67 2.7593 11.014 800 15 9913 2 2.77 2.7236 10.918 800 15 9914 2 2.94 2.6767 11.457 800 15 9917 2 2.68 2.3364 11.173 800 15 9918 2 2.83 2.6065 11.715 800 15 9941 2 2.56 2.6745 11.220 800 15 9942 2 2.90 2.8057 11.310 800 15 9944 2 2.80 2.6958 11.693 800 15 9945 2 2.77 2.4986 11.212 800 15 9946 2 2.68 2.7860 11.318 ## 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 # 22 800 22 2629 2 2.80 2.4919 11.057 800 22 2631 2 2.77 2.7636 10.600 800 22 2637 2 2.88 2.4885 12.111 800 22 2654 2 2.62 2.9358 11.428 800 22 2657 2 2.84 2.5248 11.843 800 22 2658 2 2.85 2.6295 11.474 800 22 2659 2 2.68 2.7750 11.568 800 22 2660 2 2.91 2.6396 11.804 800 22 2661 2 2.99 2.1064 12.041 800 22 2662 2 2.95 2.3363 11.682 800 22 2663 2 2.73 2.7726 12.023 800 22 2664 2 2.70 2.4477 11.732 800 22 2665 2 2.70 2.6553 12.081 800 22 2739 2 2.89 2.9665 11.871 800 22 2740 2 2.70 2.3940 11.730 800 22 2741 2 2.61 2.6868 11.664 800 22 2840 2 2.89 2.7631 11.674 800 22 2938 2 2.60 2.5540 11.682 800 22 2939 2 2.70 2.7138 12.285 800 22 2941 2 2.74 2.9735 11.530 800 22 2942 2 2.72 2.9107 11.523 800 22 2943 2 2.68 2.4708 11.607 ## Starting information for simulation # 23 ## Starting information for simulation # 24 ## Starting information for simulation # 25 ## Starting information for simulation # 26 ## Starting information for simulation # 27 800 27 2539 2 2.90 2.5747 12.271 800 27 2542 2 2.67 2.9524 11.581 800 27 2543 2 2.63 2.7792 11.801 800 27 2544 2 2.80 2.7989 12.098 800 27 2545 2 2.66 3.0406 11.664 800 27 2546 2 2.65 2.9282 11.177 800 27 2547 2 2.70 2.8808 11.687 800 27 2548 2 2.77 2.7677 11.844 800 27 2549 2 2.62 2.9217 12.000 800 27 2551 2 2.95 2.7936 12.012 800 27 2555 2 2.87 2.9068 11.766 800 27 2556 2 2.68 2.8990 11.910 800 27 2558 2 2.69 2.4340 11.208 800 27 2559 2 2.95 2.8898 11.240 800 27 2564 2 2.68 2.6894 11.306 800 27 2565 2 2.72 2.7397 11.142 800 27 2566 2 2.69 2.9027 11.714 800 27 2568 2 2.63 2.8385 11.450 800 27 2570 2 2.73 2.6622 11.467 800 27 2571 2 2.85 2.4826 11.609 800 27 2572 2 2.95 2.5725 11.696 800 27 2573 2 2.86 2.7656 10.520 800 27 2575 2 2.64 2.7789 11.575 800 27 2576 2 2.80 2.7235 11.538 800 27 2580 2 2.83 2.9563 11.885 800 27 2581 2 2.75 2.6477 11.781 800 27 2587 2 2.95 2.6123 11.444 800 27 2588 2 2.73 2.7323 11.888 800 27 2589 2 2.65 2.7882 11.349 800 27 2590 2 2.87 2.5505 11.604 800 27 2591 2 2.71 2.9247 11.618 800 27 2592 2 2.70 2.2495 11.096 800 27 2598 2 2.65 2.6306 11.560 800 27 2599 2 2.63 3.0068 12.201 800 27 2600 2 2.75 2.8561 11.719 800 27 2601 2 2.58 2.8383 11.596 800 27 2602 2 2.61 2.6929 11.563 800 27 2604 2 2.80 2.8037 12.007 800 27 2606 2 2.81 2.7369 12.179 800 27 2608 2 2.73 2.9264 12.034 800 27 2609 2 2.79 2.9531 11.200 800 27 2610 2 2.89 2.8977 11.023 800 27 2611 2 2.77 2.5937 11.632 800 27 2974 2 2.83 2.1832 10.801 800 27 2977 2 2.90 2.7952 11.434 800 27 2978 2 2.67 2.2336 11.004 800 27 2979 2 2.77 2.6695 10.806 800 27 2980 2 2.87 2.8259 11.445 800 27 2981 2 2.82 2.7118 11.268 800 27 2984 2 2.59 2.9988 11.410 800 27 2985 2 2.90 2.6723 11.546 800 27 2986 2 2.60 2.9906 10.804 800 27 2989 2 2.67 2.7618 10.899 800 27 5763 2 2.70 2.9721 10.882 800 27 5945 2 2.76 2.2824 11.621 800 27 5946 2 2.58 3.1154 11.017 800 27 5947 2 2.90 2.9136 10.680 800 27 5948 2 2.61 2.9893 10.651 800 27 5949 2 2.70 2.5652 10.282 800 27 5950 2 2.69 2.9555 10.146 800 27 5951 2 2.72 2.7517 11.172 ## Starting information for simulation # 28 ## Starting information for simulation # 29 ## Starting information for simulation # 30 ## Starting information for simulation # 31 800 31 2696 2 2.78 2.8448 8.587 ## Starting information for simulation # 32 ## Starting information for simulation # 33 ## Starting information for simulation # 34 ## Starting information for simulation # 35 ## Starting information for simulation # 36 800 36 138 2 2.57 2.9830 8.421 800 36 139 2 2.60 2.7291 8.513 800 36 140 2 2.72 2.9547 8.921 800 36 141 2 2.91 2.7127 8.787 800 36 142 2 2.63 3.0676 7.943 800 36 143 2 2.63 2.7490 8.605 800 36 144 2 2.62 2.9963 8.658 800 36 145 2 2.81 2.9198 8.787 800 36 146 2 2.64 2.9210 8.253 800 36 147 2 2.61 2.7634 8.862 800 36 148 2 2.75 3.0303 8.977 800 36 149 2 2.86 2.8174 8.897 800 36 150 2 2.90 2.8495 9.160 800 36 152 2 2.74 2.8076 9.312 800 36 153 2 2.77 2.8945 8.930 800 36 154 2 2.72 2.8885 8.600 800 36 155 2 2.82 2.7728 8.683 800 36 156 2 2.68 2.9686 8.283 800 36 157 2 2.62 2.9761 9.188 800 36 160 2 2.68 2.7089 8.640