# Bonding information for index 260 -- 0MA_14@O2 0MA_15@H3O 0MA_15@O3 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 260 2 6326 1 2.76 2.5173 8.686 260 2 6331 1 2.96 2.7618 9.412 260 2 6340 1 2.76 2.8276 7.975 ## Starting information for simulation # 3 260 3 1401 1 2.95 2.6182 11.417 ## Starting information for simulation # 4 ## Starting information for simulation # 5 ## Starting information for simulation # 6 ## Starting information for simulation # 7 260 7 595 1 3.00 2.5676 10.272 260 7 634 1 2.87 2.6265 9.725 260 7 717 1 2.91 2.5489 9.505 260 7 769 1 2.75 2.9790 9.470 260 7 906 1 2.91 2.5816 8.164 260 7 921 1 2.90 2.1484 7.776 260 7 951 1 2.98 2.3052 9.369 260 7 953 1 2.65 2.8782 8.580 260 7 954 1 2.82 2.4293 8.363 260 7 955 1 2.66 2.7704 8.400 260 7 958 1 2.89 2.7060 7.969 260 7 1229 1 2.98 2.9821 9.728 260 7 1383 1 2.97 2.0130 9.526 260 7 1458 1 2.98 1.8568 9.363 260 7 1639 1 2.77 2.7956 9.914 260 7 1646 1 2.83 2.6140 9.518 260 7 1653 1 2.73 2.7987 9.097 260 7 1661 1 2.92 2.9782 9.056 260 7 1679 1 2.93 1.7638 9.208 260 7 2004 1 2.73 3.0341 9.531 260 7 2092 1 2.89 2.1932 9.593 260 7 2094 1 2.89 2.3016 8.945 260 7 2120 1 2.86 2.3223 9.270 260 7 2228 1 2.84 2.5336 9.420 260 7 2254 1 2.82 2.9866 9.259 260 7 2339 1 2.70 2.6795 9.518 260 7 2408 1 2.88 2.6686 8.974 260 7 2460 1 2.78 2.9056 9.397 260 7 2461 1 2.70 2.6175 9.609 260 7 2462 1 2.66 2.7492 9.280 260 7 2463 1 2.75 3.0301 9.223 260 7 2831 1 2.71 2.5922 8.691 260 7 2832 1 2.82 2.3753 8.815 260 7 2945 1 2.95 1.8615 9.786 260 7 2955 1 2.96 2.3763 11.195 260 7 2971 1 2.77 2.8047 11.666 260 7 2972 1 2.75 2.4010 10.752 260 7 3285 1 2.80 2.7849 11.825 260 7 3426 1 2.81 2.8421 11.430 260 7 3543 1 2.88 2.0988 12.424 260 7 3947 1 2.95 2.5849 12.807 260 7 3948 1 2.93 2.7764 13.002 260 7 3949 1 2.61 2.9741 13.069 260 7 3979 1 2.78 2.6055 12.579 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 260 10 8144 1 2.98 2.0857 8.552 ## Starting information for simulation # 11 260 11 4511 1 2.96 2.3181 10.858 260 11 4529 1 2.86 2.7426 11.054 260 11 5243 1 2.94 2.3208 11.209 260 11 5965 1 2.95 3.0646 10.907 260 11 6215 1 3.00 2.1822 10.146 260 11 7155 1 2.65 2.6475 12.458 260 11 7161 1 2.94 2.1783 12.539 260 11 7377 1 2.99 1.9970 11.914 260 11 7408 1 2.88 2.8647 11.568 260 11 8288 1 2.69 2.9079 11.755 260 11 8289 1 2.86 2.6315 12.286 260 11 8290 1 2.83 2.5179 12.866 260 11 8291 1 2.94 2.7770 12.726 260 11 8314 1 2.78 2.9886 12.946 260 11 8435 1 2.75 2.8738 10.843 260 11 8474 1 2.92 2.5353 11.997 260 11 9402 1 2.96 1.8530 9.495 260 11 9626 1 2.96 1.8455 9.334 260 11 9696 1 2.69 2.7001 9.270 ## Starting information for simulation # 12 ## Starting information for simulation # 13 ## Starting information for simulation # 14 260 14 8352 1 2.99 1.9373 6.653 260 14 8359 1 2.90 2.1639 6.633 260 14 8408 1 3.00 2.5731 6.507 ## Starting information for simulation # 15 260 15 1246 1 2.94 1.8441 11.475 260 15 1796 1 2.81 2.5126 8.549 260 15 1957 1 2.93 1.8179 8.235 260 15 1969 1 2.89 2.9426 8.949 260 15 2185 1 2.97 2.7515 8.738 260 15 3511 1 2.90 2.4685 10.590 260 15 8877 1 2.70 2.8839 12.120 260 15 8878 1 2.86 2.6999 12.286 260 15 8882 1 2.79 2.6043 10.684 260 15 8883 1 2.87 2.6394 11.273 260 15 8884 1 2.83 2.8521 10.999 260 15 8885 1 2.56 2.9752 11.318 260 15 8886 1 2.96 2.6743 10.444 260 15 8887 1 2.86 2.8271 9.742 ## Starting information for simulation # 16 ## Starting information for simulation # 17 260 17 5606 1 2.61 2.7484 11.410 260 17 5609 1 3.00 1.8230 11.391 260 17 5745 1 2.97 1.9221 11.194 260 17 5852 1 2.88 1.9342 11.747 260 17 5877 1 2.98 2.3401 11.964 260 17 5886 1 2.96 2.5106 11.739 260 17 6063 1 2.65 2.5130 10.950 260 17 6064 1 2.56 2.6505 11.050 260 17 6065 1 2.60 2.9196 11.706 260 17 6066 1 2.87 2.9658 11.681 260 17 6067 1 2.75 2.8671 11.798 260 17 6068 1 2.68 2.9160 11.663 260 17 6070 1 2.77 2.9531 10.966 260 17 6091 1 2.87 2.8001 11.512 ## Starting information for simulation # 18 260 18 1171 1 2.80 2.3315 10.706 260 18 1664 1 2.91 2.8399 10.224 260 18 1765 1 2.84 2.7323 11.272 260 18 1766 1 2.68 2.9084 11.102 260 18 1767 1 2.79 2.7214 11.134 260 18 1770 1 2.87 2.4400 11.130 260 18 1771 1 2.90 2.5416 10.353 260 18 1773 1 2.70 2.5199 10.677 260 18 1981 1 2.80 2.7149 11.714 260 18 1998 1 2.97 2.0653 10.947 260 18 2148 1 2.82 2.8186 10.852 260 18 2149 1 2.90 2.7175 11.422 260 18 2461 1 2.76 2.8750 10.551 260 18 2631 1 2.96 2.9433 10.680 260 18 2647 1 2.91 2.4238 11.309 260 18 3217 1 2.99 1.8642 10.704 260 18 3502 1 2.90 2.7804 10.714 260 18 3914 1 2.80 1.9933 11.923 260 18 3937 1 2.99 2.1525 12.500 260 18 3938 1 3.00 2.7525 12.667 260 18 4441 1 2.77 2.9887 10.383 260 18 4654 1 2.92 2.1618 12.161 260 18 5419 1 2.78 2.6908 11.798 260 18 5716 1 2.80 2.7609 10.705 260 18 5718 1 2.83 2.7572 10.886 260 18 6410 1 2.86 2.8466 11.450 260 18 6411 1 2.82 2.3623 11.309 260 18 6449 1 2.96 1.7889 10.890 260 18 6485 1 2.80 2.3505 10.203 260 18 6488 1 2.96 2.0908 10.757 260 18 6790 1 2.76 1.9078 11.958 260 18 6864 1 2.95 2.0515 11.860 260 18 7227 1 2.95 2.4777 11.179 260 18 7762 1 2.84 2.8536 13.009 260 18 7769 1 2.95 2.4082 11.521 260 18 8299 1 2.65 2.7822 11.973 ## Starting information for simulation # 19 ## Starting information for simulation # 20 ## Starting information for simulation # 21 ## Starting information for simulation # 22 260 22 3467 1 2.77 2.8419 10.993 260 22 3476 1 2.78 2.4480 10.722 260 22 3569 1 2.98 2.6943 10.547 260 22 3893 1 2.74 2.1470 10.036 260 22 3967 1 2.84 2.8071 11.646 260 22 3968 1 2.75 2.7959 12.205 260 22 4130 1 2.69 2.7833 12.236 260 22 4172 1 2.52 2.8619 10.559 260 22 4175 1 2.75 2.7482 10.924 260 22 4394 1 2.83 2.9432 13.342 260 22 4763 1 2.69 3.1360 12.183 260 22 4765 1 2.75 2.7225 13.106 260 22 4969 1 2.90 2.1857 12.485 260 22 5025 1 2.81 2.6709 11.631 260 22 5117 1 2.94 2.2896 12.563 260 22 5222 1 2.81 2.9917 12.439 260 22 5223 1 2.72 2.9738 12.816 260 22 5554 1 3.00 2.2994 12.627 260 22 5558 1 2.97 2.4685 12.852 260 22 5559 1 2.91 2.3976 12.685 260 22 5575 1 2.93 2.0492 13.646 260 22 5733 1 2.80 2.7159 12.386 260 22 5734 1 2.75 2.8863 12.082 260 22 5743 1 2.82 1.8136 12.379 260 22 5904 1 2.96 3.0451 12.150 260 22 6138 1 2.65 2.3027 12.606 260 22 6143 1 2.92 2.6751 12.753 260 22 6202 1 2.79 2.7055 12.976 260 22 6336 1 2.57 2.9036 12.856 260 22 6337 1 2.81 3.0600 12.281 260 22 6338 1 2.83 3.1101 13.374 260 22 6343 1 2.75 2.6279 13.231 260 22 6344 1 2.91 2.6822 13.724 260 22 6612 1 2.98 2.5119 12.421 260 22 6615 1 2.93 2.9523 12.868 260 22 6639 1 2.86 2.8669 12.027 260 22 6748 1 2.83 2.5199 11.664 260 22 6851 1 2.71 2.7921 12.706 260 22 6952 1 2.65 2.4649 12.675 260 22 6957 1 2.97 1.9455 12.531 260 22 7003 1 2.94 1.9793 12.313 260 22 7004 1 3.00 2.4778 11.998 260 22 7054 1 2.96 2.8994 11.850 260 22 7178 1 2.86 2.3771 11.321 260 22 7953 1 2.80 2.8481 13.229 260 22 8421 1 2.94 2.7075 13.078 260 22 8650 1 2.93 1.8870 13.101 ## Starting information for simulation # 23 260 23 5666 1 2.77 2.4165 9.738 260 23 5677 1 2.98 1.8204 10.013 260 23 5678 1 2.96 2.0455 10.131 260 23 5681 1 2.55 2.8716 10.290 260 23 5687 1 2.95 2.7878 9.953 260 23 5689 1 2.78 2.8606 9.954 260 23 5690 1 2.70 2.7892 9.692 260 23 5691 1 2.80 2.9224 9.653 260 23 5692 1 2.91 2.8410 10.388 260 23 5694 1 2.85 2.5240 10.095 260 23 5696 1 2.70 2.8788 10.185 260 23 5697 1 2.71 2.9546 9.848 260 23 5699 1 2.99 2.7632 9.770 260 23 5700 1 2.86 2.9811 9.813 260 23 5701 1 2.85 2.7814 9.495 260 23 5702 1 2.67 2.9757 9.373 260 23 5703 1 2.84 2.9213 9.679 260 23 5704 1 2.96 2.6645 9.495 260 23 5710 1 2.98 2.1064 9.249 260 23 5721 1 2.96 2.4940 10.102 260 23 5722 1 2.76 2.7517 10.083 260 23 5724 1 2.75 2.8066 9.193 260 23 5726 1 2.78 2.6983 10.275 260 23 5743 1 2.89 2.8641 9.071 260 23 5744 1 2.57 3.0333 9.259 260 23 5745 1 2.65 3.0063 9.495 260 23 5750 1 2.78 2.8437 9.686 260 23 5751 1 2.73 2.1391 9.134 260 23 5756 1 2.81 3.0225 9.751 260 23 5757 1 2.83 2.4327 9.782 260 23 5758 1 2.64 2.8818 9.709 260 23 5759 1 2.76 3.0988 9.974 260 23 5760 1 2.71 3.0275 9.892 260 23 5761 1 2.92 3.0827 9.792 260 23 5762 1 2.74 3.0794 9.362 260 23 5763 1 2.84 2.3756 9.941 260 23 5765 1 2.65 3.0281 9.850 260 23 5766 1 2.84 2.7635 9.422 260 23 5767 1 2.66 3.0895 9.572 260 23 5768 1 2.71 3.0420 9.567 260 23 5769 1 2.69 2.7352 10.362 260 23 5770 1 2.73 2.9531 10.633 260 23 5771 1 2.67 2.8302 10.988 260 23 5772 1 2.86 2.9477 10.672 260 23 5773 1 2.74 2.9025 10.136 260 23 5774 1 2.80 2.5148 10.101 260 23 5775 1 2.71 2.9986 10.446 260 23 5776 1 2.83 3.0582 10.521 260 23 5777 1 2.87 3.0243 10.765 260 23 5778 1 2.71 2.5502 10.145 260 23 5779 1 2.95 2.9506 10.232 260 23 5780 1 2.90 2.9262 10.636 260 23 5781 1 2.99 2.5618 9.939 260 23 5782 1 2.70 3.0095 10.226 260 23 5783 1 2.90 2.7459 10.016 260 23 5785 1 2.77 2.6726 10.056 260 23 5786 1 2.68 2.9083 9.854 260 23 5791 1 2.69 2.8651 9.994 260 23 5792 1 2.64 3.1270 9.922 260 23 5793 1 2.64 2.9430 9.709 260 23 5795 1 2.92 2.6674 9.691 260 23 5796 1 2.69 2.7415 9.544 260 23 5797 1 2.85 2.9058 9.948 260 23 5798 1 2.67 3.0294 10.103 260 23 5799 1 2.77 2.8896 10.273 260 23 5800 1 2.69 2.4907 10.104 ## Starting information for simulation # 24 260 24 8621 1 2.83 2.8923 12.309 260 24 8628 1 2.97 2.8064 12.176 260 24 8630 1 2.92 2.6767 12.948 260 24 9125 1 2.81 2.9684 12.426 ## Starting information for simulation # 25 260 25 4290 1 2.63 2.9170 11.049 ## Starting information for simulation # 26 260 26 831 1 2.81 1.7467 9.662 260 26 832 1 2.88 2.2284 8.259 260 26 833 1 2.84 2.9899 9.831 260 26 968 1 2.72 2.7987 8.893 260 26 979 1 2.66 2.6424 9.227 260 26 981 1 2.82 2.8134 9.328 260 26 1009 1 2.70 1.7700 8.285 260 26 1033 1 2.70 2.8743 9.550 260 26 1034 1 2.82 2.5627 10.033 260 26 1035 1 2.87 2.8630 9.334 260 26 1073 1 2.94 2.6719 10.970 260 26 2064 1 2.99 2.2807 9.031 260 26 2317 1 2.97 2.1793 10.319 260 26 2503 1 2.92 2.0815 11.104 260 26 2635 1 2.68 2.4389 10.079 260 26 2642 1 2.96 2.4296 10.866 260 26 3121 1 2.76 2.9497 10.346 260 26 3148 1 2.90 1.8858 10.095 260 26 3181 1 2.81 2.6453 10.723 260 26 3392 1 2.74 2.3666 10.445 260 26 3701 1 2.96 2.5260 10.432 260 26 3844 1 2.86 2.8937 10.730 260 26 3909 1 2.88 2.9794 11.463 260 26 4570 1 2.94 1.8248 12.406 260 26 4831 1 2.91 2.6499 12.128 260 26 5304 1 3.00 2.7252 11.608 260 26 5434 1 2.90 1.7531 11.696 ## 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 ## Starting information for simulation # 33 260 33 3419 1 2.93 3.0931 13.146 ## Starting information for simulation # 34 260 34 9049 1 2.59 2.9521 11.820 260 34 9050 1 2.72 2.9176 11.887 260 34 9051 1 2.76 2.8113 11.690 ## Starting information for simulation # 35 ## Starting information for simulation # 36 260 36 1440 1 2.97 2.1978 9.087 260 36 1441 1 2.82 2.2694 9.262 260 36 1448 1 2.84 2.8780 9.566 260 36 1474 1 2.81 2.8937 8.773