# Bonding information for index 151 -- 0MA_13@O3 0MA_12@H4O 0MA_12@O4 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 ## Starting information for simulation # 3 ## Starting information for simulation # 4 151 4 110 1 2.98 2.2173 13.292 151 4 295 1 2.91 2.3772 12.304 151 4 297 1 2.98 2.1207 11.955 151 4 409 1 2.94 2.6789 11.722 151 4 413 1 2.76 2.6074 12.191 151 4 451 1 2.74 2.8329 12.171 151 4 453 1 2.88 2.8078 12.458 151 4 490 1 2.85 2.8035 12.259 151 4 498 1 2.62 2.5326 12.715 151 4 499 1 2.90 2.6840 12.418 151 4 500 1 2.73 2.4870 12.548 151 4 519 1 2.93 1.9300 13.314 151 4 521 1 2.73 2.4536 13.141 151 4 591 1 2.87 2.6133 12.780 151 4 594 1 2.87 2.0271 12.260 151 4 595 1 2.90 1.8598 12.341 151 4 798 1 2.89 2.2772 12.759 151 4 805 1 2.89 2.7052 13.513 151 4 814 1 2.72 2.5268 13.374 151 4 815 1 2.80 2.5750 12.831 151 4 816 1 2.93 2.3087 13.142 151 4 819 1 2.92 2.4051 13.081 151 4 845 1 2.71 2.7306 13.075 151 4 846 1 2.98 2.6024 13.397 151 4 850 1 3.00 1.8866 13.442 151 4 880 1 2.82 2.3114 13.957 151 4 885 1 2.96 2.2209 13.845 ## Starting information for simulation # 5 151 5 6877 1 2.82 2.7135 10.032 151 5 7210 1 2.89 2.4732 9.593 151 5 7211 1 2.91 2.7490 9.460 151 5 8131 1 2.80 2.7974 10.350 ## Starting information for simulation # 6 151 6 6203 1 2.73 2.3696 9.059 151 6 6217 1 2.98 2.5017 8.763 151 6 6219 1 2.67 2.5069 9.024 151 6 6294 1 2.97 2.7435 9.415 151 6 6296 1 2.88 2.6015 8.498 151 6 6370 1 2.72 2.9082 9.100 151 6 6371 1 2.79 2.5891 9.558 151 6 6451 1 2.89 2.8121 8.834 151 6 6618 1 2.86 1.9716 8.588 151 6 6619 1 2.77 1.8018 8.235 151 6 6995 1 2.70 2.6357 8.696 151 6 6996 1 2.85 2.5826 8.896 151 6 6997 1 2.89 2.6840 9.095 151 6 7402 1 3.00 1.8633 8.949 151 6 7867 1 2.74 2.9107 10.549 151 6 7956 1 2.76 2.9100 10.168 151 6 8004 1 2.68 2.8611 8.692 151 6 8068 1 2.91 2.7482 9.054 151 6 8069 1 2.78 2.5832 9.080 151 6 8070 1 2.62 2.6712 8.932 151 6 8071 1 2.94 2.6821 9.017 151 6 8146 1 2.78 2.8254 9.039 151 6 8147 1 2.70 2.3673 9.326 151 6 8156 1 2.97 2.3153 8.760 151 6 8159 1 2.99 2.9686 9.165 151 6 8217 1 2.87 2.5634 9.330 151 6 8220 1 2.78 2.9216 9.021 ## Starting information for simulation # 7 151 7 883 1 2.81 2.8737 7.775 151 7 888 1 2.87 2.2129 8.423 151 7 2523 1 2.88 2.4720 9.572 151 7 2524 1 2.57 2.8605 8.657 151 7 2609 1 2.96 2.5902 9.304 151 7 2614 1 2.93 2.2811 8.843 151 7 2616 1 2.64 2.7760 7.861 151 7 2632 1 2.95 2.6940 9.201 151 7 2635 1 2.90 1.9624 8.529 151 7 2839 1 2.81 2.9284 8.717 151 7 2854 1 2.66 2.6986 8.926 151 7 3031 1 2.74 2.3745 9.256 151 7 3166 1 2.83 2.4528 7.924 151 7 3167 1 2.87 2.3888 8.430 151 7 3178 1 2.73 2.5487 8.868 151 7 3179 1 2.95 2.0665 9.151 151 7 3263 1 2.77 1.8251 10.686 151 7 3270 1 2.85 2.3262 9.955 151 7 3271 1 2.94 2.3465 11.184 151 7 3384 1 2.99 2.1292 11.753 151 7 3435 1 2.78 2.5603 11.041 151 7 3436 1 2.77 2.6282 11.761 151 7 3437 1 2.68 3.0096 11.589 151 7 3438 1 2.75 2.4973 11.385 151 7 3445 1 2.99 2.1259 13.177 151 7 3455 1 3.00 2.2208 12.239 151 7 3458 1 2.84 2.7734 12.287 151 7 3459 1 2.94 2.6492 12.391 151 7 3460 1 2.93 2.5218 12.804 151 7 3712 1 2.83 2.6159 12.413 151 7 3720 1 2.80 2.7329 12.164 151 7 3726 1 3.00 2.3809 11.755 151 7 3727 1 2.74 2.6850 12.142 151 7 3803 1 2.98 1.7853 12.454 151 7 3805 1 2.77 2.6024 12.555 151 7 3906 1 2.85 2.5432 13.639 151 7 3914 1 2.84 2.5676 12.653 151 7 3976 1 2.91 2.2812 12.680 151 7 3978 1 2.57 2.9138 12.640 151 7 3979 1 2.78 2.6835 12.579 151 7 3982 1 2.76 2.4255 12.703 151 7 3983 1 2.91 2.5948 11.869 151 7 4039 1 2.78 2.9549 12.330 151 7 4040 1 2.88 2.7070 12.273 151 7 4041 1 2.99 2.5439 12.404 151 7 4042 1 2.84 2.7479 12.496 151 7 4044 1 2.98 2.5278 12.494 151 7 4045 1 2.92 2.6416 13.257 151 7 4052 1 2.82 1.8164 12.490 151 7 4056 1 2.87 1.8978 13.806 151 7 4063 1 2.65 2.6842 13.310 151 7 4064 1 2.91 3.0209 13.516 151 7 4065 1 2.97 2.5259 13.302 151 7 4066 1 2.72 2.8349 13.029 151 7 4067 1 2.70 2.6937 13.630 151 7 4340 1 2.92 2.8088 11.760 151 7 4342 1 2.80 3.1076 11.338 151 7 4344 1 2.97 2.5133 12.477 151 7 4381 1 2.93 2.3923 12.015 151 7 4461 1 2.99 2.7083 12.612 151 7 4976 1 2.82 2.1912 12.404 151 7 4981 1 2.95 2.7385 12.735 151 7 4982 1 2.81 2.6148 12.660 151 7 4988 1 2.93 1.8812 12.742 151 7 5010 1 2.73 2.7557 12.314 ## 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 ## Starting information for simulation # 13 ## Starting information for simulation # 14 ## Starting information for simulation # 15 151 15 6564 1 2.83 2.6936 10.887 151 15 6565 1 2.74 2.5233 11.170 151 15 8551 1 2.89 2.6396 11.242 151 15 8552 1 2.73 2.4187 11.898 151 15 8553 1 2.89 2.3510 11.301 151 15 9003 1 2.89 2.6356 11.538 151 15 9294 1 2.88 3.0557 13.078 151 15 9295 1 2.74 2.5670 13.017 151 15 9296 1 2.85 2.8333 12.615 ## Starting information for simulation # 16 ## Starting information for simulation # 17 ## Starting information for simulation # 18 ## Starting information for simulation # 19 151 19 38 1 2.82 2.2780 12.290 151 19 104 1 2.74 2.5214 12.908 151 19 109 1 2.72 2.9607 12.104 151 19 832 1 2.70 2.4521 10.783 151 19 1474 1 2.79 2.2522 9.256 151 19 1475 1 2.85 2.5827 9.850 151 19 1535 1 2.79 2.7372 10.851 151 19 1569 1 2.88 2.9371 10.493 151 19 1571 1 2.83 2.3728 10.206 151 19 1572 1 2.80 2.7119 10.236 151 19 1573 1 2.84 1.9964 10.278 151 19 1575 1 2.94 2.3681 9.927 151 19 1578 1 2.83 2.3782 10.299 151 19 1582 1 2.77 2.4461 10.261 151 19 1583 1 2.76 2.2155 10.436 151 19 2281 1 2.93 2.6065 10.198 151 19 2459 1 2.84 2.4126 10.494 151 19 2478 1 2.81 2.6196 10.532 151 19 2563 1 2.86 1.7727 13.095 151 19 2581 1 2.97 2.5304 13.759 151 19 2607 1 2.85 2.6438 12.624 151 19 2855 1 2.76 2.7689 8.259 151 19 3354 1 2.92 2.2051 8.979 151 19 3505 1 2.76 2.4028 11.604 151 19 3536 1 2.61 2.4852 13.231 151 19 3554 1 2.63 2.8458 12.504 151 19 3558 1 2.81 2.7519 13.014 151 19 3566 1 2.80 3.0377 12.050 151 19 3696 1 2.80 2.9806 12.750 151 19 3802 1 2.65 2.6151 13.547 151 19 3803 1 2.80 2.6583 13.326 151 19 3804 1 2.89 2.4260 13.292 151 19 3805 1 2.89 2.5425 13.609 151 19 3807 1 2.94 2.6411 13.871 151 19 3809 1 2.78 2.9762 13.222 151 19 3810 1 2.84 2.7235 13.530 151 19 3811 1 2.97 2.8137 12.571 151 19 3812 1 2.66 2.4703 12.801 151 19 3815 1 2.77 2.3616 12.484 151 19 3867 1 2.90 2.6504 12.832 151 19 3885 1 2.59 2.7696 13.242 151 19 3896 1 2.90 2.5303 13.134 151 19 3897 1 2.91 2.2316 13.286 151 19 3901 1 2.97 2.1502 13.195 151 19 3902 1 2.91 2.3988 13.327 151 19 3904 1 2.59 2.6071 13.159 151 19 3905 1 2.89 2.7498 13.273 151 19 3906 1 2.69 2.4921 13.131 151 19 3915 1 2.78 2.9478 12.794 151 19 4348 1 2.80 2.5015 12.431 151 19 4350 1 2.86 2.7566 13.075 151 19 4351 1 2.87 2.2230 12.365 151 19 4352 1 2.95 2.5762 12.888 151 19 4355 1 2.86 2.7382 13.026 151 19 4356 1 2.69 2.8569 13.229 151 19 4357 1 2.70 2.2303 12.609 151 19 4358 1 2.99 2.7758 11.818 151 19 4363 1 2.66 2.6031 12.725 151 19 4364 1 2.99 2.6008 13.052 151 19 4365 1 2.70 2.7337 12.665 151 19 4366 1 3.00 1.9660 12.796 151 19 4407 1 2.85 2.6192 13.066 151 19 4408 1 2.88 2.3985 13.244 151 19 4426 1 2.65 2.8718 13.154 151 19 4427 1 2.89 2.9302 13.327 151 19 4430 1 2.91 3.1204 12.635 151 19 4433 1 2.84 2.6726 12.260 151 19 4434 1 2.82 2.5723 12.677 151 19 4435 1 2.91 2.6461 12.409 151 19 4437 1 2.82 2.5577 12.403 151 19 4439 1 2.94 1.7858 12.205 151 19 4440 1 2.71 2.1130 11.810 151 19 4441 1 2.79 2.7125 12.671 151 19 4442 1 2.92 2.6155 11.942 151 19 4444 1 2.93 2.6597 12.657 151 19 4445 1 2.94 2.4570 13.241 151 19 4446 1 2.92 2.9098 12.845 151 19 4451 1 2.93 2.8481 12.945 151 19 4461 1 2.85 2.7607 12.521 151 19 4475 1 2.85 2.8283 12.186 151 19 4675 1 2.71 2.4640 13.708 151 19 4721 1 2.91 2.7148 13.325 151 19 4775 1 2.89 2.6823 14.019 151 19 4781 1 2.94 1.8192 13.546 151 19 5546 1 2.88 2.4258 12.447 151 19 5688 1 2.84 2.8320 12.577 151 19 6236 1 2.80 2.5505 8.239 151 19 6323 1 2.62 2.1979 7.008 151 19 6325 1 2.75 2.7629 7.506 151 19 6334 1 2.65 1.8730 7.664 151 19 6340 1 2.91 2.0248 7.856 151 19 6529 1 2.68 2.7327 8.677 151 19 6603 1 2.93 1.8272 7.559 151 19 6604 1 2.61 2.6298 7.651 151 19 6608 1 2.83 2.1416 8.224 151 19 6614 1 2.89 2.7145 7.297 151 19 6621 1 2.81 2.4484 8.241 151 19 6786 1 2.98 2.2615 7.603 151 19 6790 1 2.72 1.8769 8.082 151 19 6792 1 2.74 2.5914 7.825 151 19 7148 1 2.83 2.5034 8.518 151 19 7151 1 2.92 2.3442 8.922 151 19 7157 1 2.76 2.6497 8.053 151 19 7164 1 2.95 2.4092 9.169 151 19 7165 1 2.84 2.8065 8.909 151 19 7172 1 2.82 2.8201 9.698 151 19 7177 1 2.98 1.9807 7.989 151 19 7178 1 2.78 2.5529 8.288 151 19 7179 1 2.91 2.5095 8.527 151 19 7180 1 2.69 2.6290 8.413 151 19 7362 1 2.82 2.3712 8.302 151 19 7363 1 2.93 2.2029 8.704 151 19 7750 1 2.75 2.1021 6.265 151 19 7751 1 2.79 2.7408 6.693 151 19 7752 1 2.87 2.6944 6.448 151 19 7753 1 2.97 1.9847 7.296 151 19 7754 1 2.98 2.5695 6.783 151 19 7755 1 2.84 2.4252 6.725 151 19 7759 1 2.65 2.8535 7.181 151 19 7764 1 2.88 2.6245 6.918 151 19 7765 1 3.00 2.0298 6.995 151 19 7766 1 2.80 2.4405 7.215 151 19 7871 1 2.95 2.0200 10.190 151 19 7923 1 2.91 2.5410 11.269 151 19 8239 1 2.80 2.4616 9.913 151 19 8257 1 2.94 2.4616 10.791 151 19 8290 1 2.80 2.8185 11.979 151 19 8291 1 2.86 1.9884 12.070 151 19 8292 1 2.73 2.7946 12.802 151 19 8366 1 2.79 2.6796 12.115 151 19 8636 1 2.83 2.5733 12.571 151 19 8638 1 2.93 2.0210 12.451 151 19 8675 1 2.89 1.8069 12.788 151 19 8716 1 2.70 2.5261 12.142 151 19 8786 1 2.97 2.0618 12.425 151 19 8789 1 2.86 1.9379 12.542 151 19 8802 1 2.96 2.0221 12.276 151 19 8830 1 2.93 2.6108 11.773 151 19 8831 1 2.69 2.6444 12.053 151 19 8832 1 2.70 2.6853 12.201 151 19 8897 1 2.88 2.5688 11.872 151 19 8899 1 2.81 2.5100 12.286 ## Starting information for simulation # 20 ## Starting information for simulation # 21 ## Starting information for simulation # 22 ## Starting information for simulation # 23 ## Starting information for simulation # 24 ## Starting information for simulation # 25 151 25 2886 1 2.93 2.0654 9.881 151 25 2887 1 2.81 2.4779 10.430 151 25 2889 1 2.80 2.3451 10.079 151 25 2890 1 2.90 2.3443 10.135 ## Starting information for simulation # 26 ## Starting information for simulation # 27 151 27 5857 1 2.94 2.6036 10.997 ## 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 # 33 151 33 110 1 2.98 2.2173 13.292 151 33 295 1 2.91 2.3772 12.304 151 33 297 1 2.98 2.1207 11.955 151 33 409 1 2.94 2.6789 11.722 151 33 413 1 2.76 2.6074 12.191 151 33 451 1 2.74 2.8329 12.171 151 33 453 1 2.88 2.8078 12.458 151 33 490 1 2.85 2.8035 12.259 151 33 498 1 2.62 2.5326 12.715 151 33 499 1 2.90 2.6840 12.418 151 33 500 1 2.73 2.4870 12.548 151 33 519 1 2.93 1.9300 13.314 151 33 521 1 2.73 2.4536 13.141 151 33 728 1 2.89 2.4172 13.664 151 33 729 1 2.69 2.6275 12.984 151 33 734 1 2.73 2.4118 12.897 151 33 741 1 2.94 2.4685 13.814 151 33 742 1 2.64 2.7034 13.707 151 33 744 1 2.93 2.4154 13.311 151 33 745 1 2.78 2.2029 13.526 151 33 802 1 2.94 2.5185 11.572 151 33 848 1 2.86 2.3958 13.265 151 33 851 1 2.64 2.4799 12.802 151 33 855 1 2.66 2.7801 11.772 151 33 879 1 2.91 2.6656 12.832 151 33 926 1 2.94 2.5233 12.475 151 33 927 1 2.82 2.7481 12.588 151 33 1158 1 2.97 1.9627 12.781 151 33 1337 1 2.80 2.3521 12.817 151 33 1339 1 2.65 2.4564 12.385 151 33 1340 1 2.91 2.3622 12.422 151 33 1461 1 2.69 2.6312 13.705 151 33 1479 1 2.87 2.3090 13.404 151 33 1494 1 2.88 2.6371 13.436 151 33 1497 1 2.84 3.0129 12.831 151 33 1824 1 2.91 2.1364 12.099 151 33 1825 1 2.67 2.8657 12.167 151 33 1826 1 2.93 2.0265 12.337 151 33 1950 1 2.90 2.5379 12.586 151 33 1953 1 2.74 2.6776 12.728 151 33 1954 1 2.90 2.3996 12.479 151 33 1956 1 2.80 3.0591 12.535 151 33 1957 1 2.87 2.9011 12.854 151 33 2003 1 2.90 2.8720 12.850 151 33 2004 1 2.72 2.4633 12.533 151 33 2005 1 2.81 2.9016 12.405 151 33 2008 1 2.72 2.6418 13.175 151 33 2009 1 2.68 2.3981 12.844 151 33 2085 1 2.81 2.4254 13.089 151 33 2334 1 2.87 2.7966 12.916 151 33 2335 1 2.92 2.2507 12.719 151 33 2372 1 2.85 1.7987 12.708 151 33 2375 1 2.88 2.4110 12.990 151 33 2386 1 2.88 1.9317 12.642 151 33 2391 1 2.69 2.8568 12.814 151 33 2392 1 2.70 2.3215 12.605 151 33 2394 1 2.92 2.2699 12.323 151 33 2397 1 2.96 2.5264 12.397 151 33 2399 1 2.83 2.5952 12.263 151 33 2550 1 2.94 2.2849 12.963 151 33 2573 1 2.81 2.8759 12.813 151 33 2603 1 2.72 2.6185 12.617 151 33 2609 1 2.78 2.9743 12.354 151 33 2652 1 2.80 2.7005 12.655 151 33 2653 1 2.94 2.6031 13.187 151 33 2666 1 2.86 2.7748 12.601 151 33 2671 1 2.87 2.2822 12.328 151 33 2672 1 2.69 2.6435 12.538 151 33 2675 1 2.63 3.0826 12.192 151 33 2680 1 2.85 2.7091 12.190 151 33 2681 1 2.79 2.4411 12.206 151 33 2682 1 2.96 2.7154 11.937 151 33 2683 1 2.90 2.4870 12.309 151 33 2782 1 2.85 2.6866 12.724 151 33 2784 1 2.76 2.5485 12.265 151 33 4637 1 2.67 2.6422 12.088 151 33 4645 1 2.77 2.5551 12.986 151 33 4646 1 2.85 2.5158 12.662 151 33 4647 1 2.95 2.6886 12.926 151 33 4653 1 2.70 2.0632 12.894 151 33 4654 1 2.89 2.2491 13.000 151 33 5110 1 2.72 2.6805 12.602 151 33 5112 1 2.81 2.0371 12.634 151 33 5114 1 2.95 2.6191 12.884 151 33 5179 1 2.88 2.7923 12.367 151 33 5193 1 2.82 2.1906 12.728 151 33 5634 1 3.00 2.4459 13.106 151 33 5740 1 2.88 2.1388 12.178 151 33 5854 1 2.86 2.2084 13.075 151 33 5917 1 2.99 2.3402 12.431 151 33 5918 1 2.79 2.2109 11.662 151 33 5921 1 2.88 2.5936 12.941 151 33 5929 1 2.93 2.2293 13.467 151 33 5941 1 2.84 2.6803 12.842 151 33 5975 1 2.76 2.4896 12.861 151 33 5977 1 2.99 2.8686 12.517 151 33 5978 1 2.80 2.1292 12.939 151 33 6013 1 2.83 2.6968 12.563 151 33 6122 1 2.82 2.8271 12.520 151 33 6123 1 2.91 2.4905 12.231 151 33 6245 1 2.93 2.0997 13.210 151 33 6340 1 2.95 2.5579 9.703 151 33 6341 1 2.89 2.4232 9.043 151 33 6352 1 2.72 2.2001 10.123 151 33 6425 1 2.75 2.5646 9.587 151 33 6426 1 2.84 2.4744 9.800 151 33 6635 1 2.96 2.4076 10.065 151 33 6636 1 2.96 2.6244 10.651 151 33 6637 1 2.82 2.5040 10.727 151 33 6975 1 2.86 2.1532 8.482 151 33 6977 1 2.87 2.6342 8.303 151 33 7242 1 2.74 2.8480 8.733 151 33 7243 1 2.64 2.8371 8.445 151 33 7244 1 2.80 2.9256 8.652 151 33 7267 1 2.87 1.7894 9.157 151 33 7641 1 2.74 2.6557 9.491 151 33 7642 1 2.96 2.4290 9.344 151 33 7648 1 2.93 2.4504 9.273 151 33 7650 1 2.74 2.7282 8.671 151 33 7676 1 2.94 2.8446 9.656 151 33 7677 1 2.68 2.3914 9.318 151 33 7678 1 2.87 2.1868 9.173 151 33 7679 1 2.68 2.7021 9.031 151 33 7680 1 2.91 2.0847 8.871 151 33 7757 1 2.68 3.0600 8.946 151 33 7810 1 2.93 2.4260 9.120 151 33 7815 1 2.96 1.7934 9.135 151 33 7821 1 2.83 2.1813 8.794 151 33 7823 1 2.75 2.4947 9.262 151 33 7830 1 2.98 2.2372 8.707 151 33 8918 1 2.75 2.7106 9.529 151 33 8919 1 2.95 2.3203 9.933 151 33 9440 1 2.67 2.5569 9.473 151 33 9446 1 2.80 2.9517 10.368 151 33 9447 1 2.94 2.4919 9.659 ## Starting information for simulation # 34 ## Starting information for simulation # 35 151 35 148 1 2.92 1.8437 12.447 151 35 149 1 2.99 2.4083 11.928 151 35 157 1 2.73 2.6906 11.904 151 35 163 1 2.82 2.7064 11.850 151 35 164 1 2.86 2.4089 11.051 ## Starting information for simulation # 36