# Bonding information for index 326 -- 0MA_14@O5 0MA_13@H3O 0MA_13@O3 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 326 1 247 1 2.77 2.8722 8.888 326 1 250 1 2.78 2.6196 9.324 326 1 266 1 2.55 2.7397 9.665 326 1 529 1 3.00 2.1136 8.428 326 1 564 1 2.74 2.5600 8.491 326 1 565 1 2.99 1.7744 8.885 326 1 566 1 2.63 2.8126 8.563 326 1 567 1 2.91 2.9866 8.813 326 1 568 1 2.71 2.9024 8.928 326 1 571 1 2.84 2.3841 8.703 326 1 572 1 2.99 2.4811 9.021 326 1 573 1 2.95 2.0187 9.029 326 1 1695 1 2.98 2.8274 8.444 326 1 1696 1 2.86 2.9154 8.541 326 1 1697 1 2.70 3.0043 8.348 326 1 1840 1 2.62 2.6149 8.544 326 1 1842 1 2.88 2.4209 8.016 326 1 2027 1 2.92 2.0031 8.251 326 1 2140 1 2.87 2.7868 8.231 326 1 2171 1 2.71 2.8426 8.717 326 1 2172 1 2.84 2.6140 8.396 326 1 2254 1 2.72 2.8677 7.783 326 1 2755 1 2.75 3.0431 8.052 326 1 2756 1 2.83 2.9239 7.992 326 1 2757 1 2.88 2.8627 7.933 326 1 3027 1 2.87 2.5956 8.968 326 1 3228 1 2.86 3.0975 7.441 326 1 3229 1 2.60 2.6849 7.476 326 1 3230 1 2.74 2.9726 7.703 326 1 3253 1 2.78 2.5786 7.766 326 1 3254 1 2.83 2.8948 7.817 326 1 3255 1 2.74 2.6564 7.986 326 1 3256 1 2.76 2.8338 7.791 326 1 3257 1 2.68 2.7440 8.009 326 1 3258 1 2.85 2.9010 8.102 326 1 3259 1 2.89 2.7927 7.640 326 1 3314 1 2.88 2.5585 8.351 326 1 3316 1 2.81 2.8543 7.952 326 1 3317 1 2.65 2.7199 8.223 326 1 4270 1 2.69 2.3976 9.782 326 1 4446 1 2.94 2.9333 8.745 326 1 4447 1 2.91 2.7744 8.967 326 1 4448 1 2.93 2.3350 8.928 326 1 4524 1 2.88 2.7376 6.990 326 1 4525 1 2.95 2.5138 6.560 326 1 4527 1 2.87 2.9420 7.018 326 1 4529 1 2.98 1.9341 6.571 326 1 5153 1 2.81 2.7651 8.016 326 1 5154 1 2.78 2.8439 8.340 326 1 5161 1 2.78 3.0144 8.040 326 1 5163 1 2.92 2.0144 7.786 326 1 5167 1 2.74 2.8397 8.200 326 1 5169 1 2.77 2.4647 6.969 326 1 5229 1 2.89 2.0014 8.135 326 1 5232 1 2.83 3.0397 7.867 326 1 5294 1 2.80 2.9711 6.970 326 1 5297 1 2.87 1.9098 6.906 326 1 5642 1 3.00 2.0472 7.627 326 1 6363 1 2.80 2.7987 7.475 326 1 6387 1 2.78 3.0818 7.850 326 1 6389 1 2.84 2.1008 8.060 326 1 6941 1 2.99 2.7660 7.266 326 1 6942 1 2.54 2.5410 8.244 326 1 6943 1 2.80 2.6276 6.524 326 1 6946 1 2.79 2.8793 6.394 326 1 6947 1 2.68 2.6584 6.678 326 1 6948 1 2.94 1.9092 6.860 326 1 6950 1 2.86 2.6721 7.213 326 1 6951 1 2.58 2.9654 6.772 326 1 6952 1 2.73 2.4635 6.575 326 1 7345 1 2.82 2.1809 7.434 326 1 7348 1 2.87 1.8680 7.130 326 1 7349 1 2.94 2.9805 7.013 326 1 7350 1 2.79 2.7745 7.153 326 1 7779 1 2.69 2.8092 7.887 326 1 7879 1 2.75 3.0280 7.905 326 1 8005 1 2.76 2.9805 7.086 326 1 8006 1 2.80 2.6706 7.270 326 1 8010 1 2.95 1.8364 7.393 326 1 8011 1 2.52 2.4424 7.321 326 1 8063 1 2.74 2.7419 8.293 326 1 8065 1 2.83 2.8018 8.116 326 1 8102 1 2.81 2.5372 8.248 326 1 8149 1 2.86 2.0633 9.210 326 1 8175 1 2.83 2.7447 8.560 326 1 8311 1 2.97 2.8961 7.345 326 1 8312 1 2.66 2.7627 7.928 326 1 8313 1 2.94 2.7870 7.401 326 1 8314 1 2.62 3.0242 7.589 326 1 8315 1 2.93 2.9132 7.995 326 1 8319 1 2.84 2.3291 7.702 326 1 8320 1 2.90 2.6488 7.661 326 1 8321 1 2.80 2.8710 7.339 326 1 8543 1 2.77 2.9053 7.546 326 1 8546 1 2.97 2.4988 7.972 326 1 8547 1 2.68 2.9220 8.017 326 1 8595 1 2.72 2.7916 8.311 326 1 9086 1 2.76 3.1150 9.070 326 1 9100 1 2.82 2.5455 8.585 326 1 9107 1 2.93 2.9426 8.847 326 1 9422 1 2.93 3.0380 8.370 326 1 9423 1 2.71 2.8144 8.720 326 1 9425 1 2.76 2.4013 8.011 326 1 9426 1 2.77 2.7055 9.023 326 1 9427 1 2.83 2.9447 8.985 326 1 9429 1 2.72 2.8674 8.447 326 1 9430 1 2.86 2.9280 8.609 326 1 9431 1 2.82 2.6927 8.618 326 1 9432 1 2.86 1.9353 8.860 326 1 9522 1 2.97 1.9506 8.317 ## Starting information for simulation # 2 ## Starting information for simulation # 3 ## Starting information for simulation # 4 ## Starting information for simulation # 5 ## Starting information for simulation # 6 ## Starting information for simulation # 7 326 7 259 1 2.87 1.9669 10.726 326 7 1079 1 2.98 2.7491 9.194 326 7 1080 1 2.78 2.4156 9.295 326 7 3197 1 2.91 2.9130 8.324 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 326 11 9156 1 2.93 2.9288 9.880 326 11 9157 1 2.83 2.5297 9.043 326 11 9159 1 2.79 2.6915 8.948 326 11 9160 1 2.73 2.8904 8.948 326 11 9171 1 2.76 2.7591 9.597 326 11 9192 1 2.97 2.2594 9.851 326 11 9730 1 2.70 2.5805 8.988 326 11 9731 1 2.90 2.5823 8.949 ## Starting information for simulation # 12 326 12 18 1 2.67 2.6987 9.246 326 12 756 1 2.93 2.9497 10.151 326 12 1446 1 2.79 2.3619 10.106 326 12 1640 1 2.87 3.0754 9.626 326 12 3241 1 2.96 2.4978 6.375 326 12 3250 1 2.69 2.8185 6.054 326 12 3587 1 2.74 2.8738 6.438 326 12 3710 1 2.92 2.7751 6.650 326 12 3711 1 2.72 2.5753 6.576 326 12 3712 1 2.83 2.7640 5.593 326 12 3713 1 2.71 2.4883 6.433 326 12 3716 1 2.99 2.0332 6.482 326 12 3769 1 2.96 2.7217 6.197 326 12 3770 1 2.90 2.4868 6.742 326 12 3771 1 2.88 2.6693 6.044 326 12 3772 1 2.75 3.0631 6.225 326 12 3807 1 2.77 2.6199 6.410 326 12 3811 1 2.73 2.9312 6.200 326 12 3812 1 2.92 1.8472 6.400 326 12 3815 1 2.65 2.5863 6.444 326 12 3816 1 2.67 2.8720 6.158 326 12 3886 1 2.90 3.0697 6.088 326 12 3889 1 2.94 2.7614 6.514 326 12 4367 1 2.80 2.9358 6.026 326 12 4368 1 2.97 3.0473 6.151 326 12 4369 1 2.61 2.9164 6.382 326 12 4371 1 2.75 2.7214 5.974 326 12 4545 1 2.86 2.7832 5.977 326 12 4652 1 2.88 2.9752 6.440 326 12 5002 1 2.80 1.9674 7.203 326 12 5003 1 2.65 2.7911 6.600 326 12 5054 1 2.72 3.0359 6.194 326 12 5063 1 2.61 2.8739 5.975 326 12 5064 1 2.94 2.7308 6.080 326 12 5065 1 2.55 2.7973 6.082 326 12 5067 1 2.77 2.5191 6.764 326 12 5068 1 2.90 2.5936 6.255 326 12 5069 1 2.56 2.8403 6.790 326 12 5073 1 2.75 2.6638 6.438 326 12 5075 1 2.98 2.8149 6.003 326 12 5076 1 2.86 3.0572 5.883 326 12 5077 1 2.71 2.6767 6.085 326 12 5078 1 2.83 2.9714 6.321 326 12 5079 1 2.94 2.7584 5.753 326 12 5081 1 2.50 2.8417 5.429 326 12 5082 1 2.69 2.7302 5.990 326 12 5084 1 2.89 2.8042 6.554 326 12 5087 1 2.75 2.8177 6.278 326 12 5088 1 2.77 1.9128 6.273 326 12 5089 1 2.87 2.8171 6.191 326 12 5090 1 2.72 2.8575 6.641 326 12 5091 1 2.70 2.8027 6.180 326 12 5092 1 2.78 2.5419 6.303 326 12 5094 1 2.66 2.6743 6.330 326 12 5095 1 2.67 2.5454 6.999 326 12 5099 1 2.76 2.8739 7.453 326 12 5172 1 2.61 2.6758 6.610 326 12 5399 1 2.93 3.1054 7.566 326 12 5822 1 2.85 2.8384 7.650 326 12 6050 1 2.87 2.9069 7.908 326 12 6381 1 2.84 2.8846 7.862 326 12 6384 1 2.94 2.9526 7.936 326 12 7303 1 2.80 2.7960 7.811 326 12 7305 1 2.74 2.8489 7.885 326 12 7306 1 2.90 3.0358 7.727 326 12 7307 1 2.76 2.9721 8.142 326 12 7308 1 2.79 2.8445 7.738 326 12 7309 1 2.89 2.7231 7.771 326 12 7312 1 2.91 2.6283 7.616 326 12 7313 1 2.89 3.1134 7.578 326 12 7314 1 2.60 2.5862 7.746 326 12 8301 1 2.63 2.8530 7.953 326 12 8848 1 2.67 3.0234 7.561 326 12 8850 1 2.79 2.9649 8.234 326 12 8851 1 2.86 2.6924 7.984 326 12 8853 1 2.97 2.5288 7.938 326 12 8856 1 2.75 2.5936 7.458 326 12 8858 1 2.84 2.5687 7.688 326 12 8860 1 2.72 2.8949 7.900 326 12 8861 1 2.76 2.2861 8.271 326 12 8862 1 2.95 2.3869 7.863 326 12 8863 1 2.83 2.0053 7.958 326 12 8864 1 2.90 2.8871 7.638 326 12 8865 1 2.75 2.8233 8.141 326 12 8867 1 2.99 1.9283 7.876 326 12 8870 1 2.81 2.8534 7.889 326 12 8872 1 2.74 2.5413 7.843 326 12 8873 1 2.87 2.0953 7.847 326 12 8874 1 2.89 2.6591 7.641 326 12 8875 1 2.57 2.3480 7.628 326 12 8876 1 2.67 2.9545 7.838 326 12 8877 1 2.72 2.3676 7.631 326 12 8879 1 2.91 2.7783 7.931 326 12 8880 1 2.81 2.4908 8.075 326 12 8881 1 2.68 2.8823 7.691 326 12 9448 1 2.99 2.6508 8.275 326 12 9658 1 2.97 1.7937 6.701 ## Starting information for simulation # 13 ## Starting information for simulation # 14 326 14 400 1 2.98 2.7503 9.411 326 14 430 1 2.79 2.5987 8.705 326 14 435 1 2.98 2.3141 9.773 ## Starting information for simulation # 15 326 15 1274 1 2.71 2.7451 10.521 326 15 1317 1 2.87 2.7323 9.003 326 15 1388 1 2.98 2.2399 7.975 326 15 1393 1 2.74 2.9568 8.171 326 15 1394 1 2.94 2.6659 9.336 326 15 1456 1 2.85 2.7558 8.465 326 15 1466 1 2.81 2.8734 8.221 326 15 1467 1 2.77 2.5131 9.014 326 15 1527 1 2.92 2.3829 9.555 326 15 1569 1 2.65 2.8958 7.601 326 15 1602 1 3.00 2.1796 9.646 326 15 1948 1 2.81 2.1985 9.162 326 15 2013 1 2.98 2.6301 8.597 326 15 2221 1 2.93 2.8766 9.285 326 15 2222 1 2.64 2.3541 9.473 326 15 2225 1 2.72 2.5326 9.509 326 15 2226 1 2.79 2.6681 9.917 326 15 2274 1 2.96 1.9980 10.594 326 15 2276 1 2.93 3.0849 11.077 326 15 2284 1 2.96 2.2727 10.012 ## Starting information for simulation # 16 326 16 32 1 2.82 2.7436 9.321 326 16 34 1 2.85 2.6751 9.784 326 16 35 1 2.98 2.3777 9.348 326 16 36 1 2.87 3.0210 8.795 ## Starting information for simulation # 17 ## Starting information for simulation # 18 326 18 718 1 2.81 2.4957 9.642 326 18 719 1 2.78 2.6134 9.352 326 18 720 1 2.78 2.9459 9.785 326 18 721 1 2.68 2.1292 10.238 326 18 722 1 2.81 2.7632 10.169 326 18 723 1 2.75 2.2857 10.132 326 18 724 1 2.65 3.0952 10.063 326 18 725 1 2.86 2.5404 9.699 326 18 727 1 2.81 2.7135 9.303 326 18 729 1 2.74 2.5496 8.904 326 18 730 1 2.70 2.7171 9.339 326 18 744 1 2.76 2.0088 8.861 326 18 751 1 2.93 2.6751 9.130 326 18 764 1 2.84 2.6849 9.569 326 18 765 1 2.87 2.2844 9.997 326 18 768 1 2.88 2.4238 9.286 326 18 781 1 2.72 2.6602 7.979 ## Starting information for simulation # 19 ## Starting information for simulation # 20 326 20 6529 1 2.84 2.3925 9.734 326 20 6530 1 2.76 2.4911 10.739 326 20 6532 1 2.93 2.0060 10.307 326 20 6537 1 2.78 2.2076 10.738 326 20 7033 1 2.93 2.6986 7.499 326 20 7034 1 2.99 2.4742 7.392 326 20 7035 1 2.74 2.5349 7.030 326 20 7038 1 2.74 2.8669 7.876 326 20 7040 1 2.74 2.7789 8.297 326 20 7173 1 2.63 3.0607 6.510 326 20 7175 1 2.86 2.4581 6.327 326 20 8040 1 2.85 2.9527 6.470 326 20 8094 1 2.83 2.6549 5.925 326 20 8623 1 2.84 1.9310 9.392 326 20 8634 1 2.75 2.5250 9.443 326 20 8688 1 2.61 2.8147 8.902 326 20 8689 1 2.57 2.5781 8.637 326 20 8693 1 2.83 2.6040 9.191 326 20 8695 1 2.75 2.8075 8.919 326 20 8698 1 2.97 2.9909 9.040 326 20 8706 1 2.93 3.0409 9.406 326 20 8709 1 2.78 2.6328 9.327 326 20 8712 1 2.89 2.7228 10.282 326 20 8713 1 2.64 2.8175 10.137 326 20 8781 1 2.84 2.7163 9.162 326 20 8782 1 2.74 2.5174 9.267 326 20 8783 1 2.88 3.0821 9.149 326 20 8798 1 2.95 2.5942 7.691 326 20 8799 1 2.82 2.9564 8.029 326 20 8811 1 2.86 3.0174 9.245 326 20 8816 1 3.00 2.9228 9.152 326 20 8818 1 2.81 2.1289 9.103 326 20 8820 1 2.99 2.9739 9.637 326 20 8923 1 2.90 2.7359 9.334 326 20 9185 1 2.70 2.9194 9.643 326 20 9188 1 2.78 2.1019 9.203 326 20 9189 1 2.99 2.7911 9.794 326 20 9191 1 2.79 2.7297 8.809 326 20 9193 1 2.77 2.7839 9.033 326 20 9397 1 2.96 3.0338 9.317 326 20 9922 1 2.85 1.7654 9.410 326 20 9923 1 2.94 2.0594 9.555 ## Starting information for simulation # 21 ## Starting information for simulation # 22 ## Starting information for simulation # 23 326 23 9883 1 2.82 2.8716 8.560 326 23 9885 1 2.71 2.8314 8.534 326 23 9887 1 2.96 2.2211 8.593 326 23 9890 1 2.97 2.2089 9.018 326 23 9895 1 2.77 2.5834 8.488 326 23 9896 1 2.86 2.6910 8.044 326 23 9898 1 2.67 2.5320 8.570 326 23 9902 1 2.92 1.9937 8.342 326 23 9923 1 2.97 2.0915 8.517 ## Starting information for simulation # 24 ## Starting information for simulation # 25 ## Starting information for simulation # 26 326 26 402 1 2.99 2.3886 8.841 326 26 406 1 2.98 2.5077 10.489 326 26 2414 1 2.96 2.8314 10.501 326 26 2443 1 2.68 2.4732 10.888 326 26 2553 1 2.61 2.9031 10.075 326 26 2570 1 2.84 2.7057 10.035 326 26 3252 1 2.78 2.3623 10.667 326 26 3253 1 2.98 2.5693 9.740 326 26 3256 1 2.95 2.5746 10.090 326 26 3280 1 2.81 2.7705 9.917 326 26 3294 1 2.73 2.9544 10.187 326 26 3590 1 2.71 2.8190 8.065 326 26 3646 1 2.97 2.1575 10.004 326 26 3670 1 2.77 2.2973 10.277 326 26 3672 1 2.75 2.5265 11.071 326 26 3673 1 2.68 2.8384 11.294 326 26 3677 1 2.69 2.6632 10.388 326 26 3685 1 2.91 2.3457 10.874 326 26 3694 1 2.75 2.6569 10.299 326 26 3698 1 2.78 2.8361 10.562 326 26 3699 1 2.87 1.9795 10.138 326 26 3707 1 2.82 2.5649 10.473 326 26 3711 1 2.81 2.1019 11.597 326 26 3712 1 2.65 2.2060 10.564 326 26 3748 1 2.70 2.5319 9.575 326 26 5655 1 3.00 2.2337 9.592 326 26 5656 1 2.84 2.0081 8.852 326 26 5981 1 2.67 2.7385 9.977 ## Starting information for simulation # 27 ## Starting information for simulation # 28 ## Starting information for simulation # 29 326 29 2128 1 2.89 2.7124 11.990 326 29 4480 1 2.79 2.6540 10.898 ## Starting information for simulation # 30 ## Starting information for simulation # 31 326 31 4612 1 2.96 2.0479 10.263 326 31 4758 1 2.92 2.0725 8.646 326 31 4775 1 2.97 1.7977 10.011 326 31 4782 1 2.80 2.7269 9.849 326 31 4892 1 2.79 2.6756 10.750 326 31 4893 1 2.86 2.5285 11.322 326 31 4945 1 2.90 2.5965 10.825 326 31 4946 1 2.75 2.9427 11.498 326 31 4953 1 2.66 2.6623 10.113 326 31 4959 1 2.96 2.6835 10.473 326 31 5001 1 2.85 2.4447 10.697 ## Starting information for simulation # 32 326 32 589 1 2.97 2.4115 13.292 326 32 593 1 2.75 1.9027 11.777 326 32 1388 1 2.97 2.6776 11.732 326 32 2459 1 2.79 2.7831 10.408 326 32 2460 1 2.94 2.1067 10.336 326 32 4607 1 2.95 2.9221 8.278 ## Starting information for simulation # 33 ## Starting information for simulation # 34 326 34 4418 1 2.69 2.9077 12.758 326 34 4419 1 2.93 2.8133 12.332 326 34 4469 1 2.92 2.6127 11.793 326 34 4470 1 2.90 2.7812 11.962 326 34 4471 1 2.84 2.3370 11.561 326 34 4473 1 2.98 2.9073 11.828 326 34 4478 1 2.77 2.3363 13.155 326 34 4493 1 2.99 2.7593 12.793 326 34 4494 1 2.79 2.2648 13.008 ## Starting information for simulation # 35 326 35 7376 1 2.82 2.8435 11.983 326 35 7422 1 2.86 2.0335 11.992 326 35 7479 1 2.99 1.8783 12.892 326 35 7506 1 2.72 1.9966 11.818 ## Starting information for simulation # 36 326 36 6070 1 2.87 2.7750 9.978 326 36 6270 1 2.86 2.6928 11.146 326 36 6658 1 2.65 2.9422 9.152