# Bonding information for index 176 -- 0MA_13@O4 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 # 4 176 4 2165 1 2.93 1.7789 10.984 176 4 2179 1 2.97 1.7945 10.848 176 4 8361 1 2.97 2.3279 10.767 176 4 8897 1 2.97 2.0998 11.020 ## Starting information for simulation # 5 176 5 6873 1 2.82 2.6774 10.426 176 5 6874 1 2.86 2.7992 10.505 176 5 6876 1 2.77 2.9969 10.489 176 5 6928 1 2.97 1.9950 12.057 176 5 6934 1 2.78 2.9087 11.884 176 5 7151 1 2.82 2.6242 10.286 176 5 7557 1 2.78 1.9840 10.027 ## Starting information for simulation # 6 176 6 6210 1 2.90 2.3177 8.452 176 6 6230 1 2.86 2.8987 8.562 176 6 6237 1 2.75 2.8875 8.499 176 6 6238 1 2.79 2.4391 8.416 176 6 6271 1 2.70 2.6093 9.382 176 6 6274 1 2.82 2.1853 9.182 176 6 6275 1 2.99 2.9390 8.569 176 6 6279 1 2.95 2.6059 8.893 176 6 6286 1 2.94 2.3711 9.025 176 6 6309 1 2.84 2.3687 8.390 176 6 6315 1 2.78 2.2322 8.870 176 6 6439 1 2.83 2.9690 8.729 176 6 6440 1 2.77 2.0445 9.115 176 6 6441 1 2.89 2.5766 9.029 176 6 6487 1 2.69 2.8834 9.082 176 6 6490 1 2.90 2.4585 8.352 176 6 6505 1 2.92 2.2868 8.544 176 6 6527 1 2.84 2.6827 8.579 176 6 6529 1 2.85 2.6102 8.950 176 6 6530 1 2.92 2.4917 9.372 176 6 6538 1 2.98 2.2718 8.711 176 6 6572 1 2.99 1.7496 8.387 176 6 6597 1 2.76 2.3682 9.057 176 6 6598 1 2.81 1.9269 8.977 176 6 6626 1 2.67 2.7840 8.704 176 6 6627 1 2.83 2.2553 9.724 176 6 6634 1 2.85 2.3940 8.250 176 6 6637 1 2.86 2.8390 8.833 176 6 6734 1 2.81 2.7510 8.422 176 6 6735 1 2.83 2.5933 8.486 176 6 7334 1 2.68 2.8544 9.022 176 6 7335 1 2.78 2.7833 8.871 176 6 7398 1 2.66 2.7510 9.187 176 6 7399 1 2.66 2.2541 9.260 176 6 7602 1 2.96 2.7338 7.653 176 6 8025 1 2.88 2.2579 8.674 176 6 8028 1 2.86 2.5179 9.269 176 6 8029 1 2.74 2.3303 8.743 176 6 8030 1 2.98 2.5828 9.333 176 6 8031 1 2.91 2.6976 8.743 176 6 8033 1 2.68 2.3495 9.023 176 6 8034 1 2.69 2.7226 9.129 176 6 8036 1 2.84 2.6264 9.416 176 6 8082 1 2.91 1.8472 9.142 176 6 8103 1 2.99 2.5148 9.185 176 6 8171 1 2.84 2.1913 9.043 176 6 8172 1 3.00 2.2736 9.022 176 6 8178 1 2.60 3.0764 9.660 176 6 8188 1 2.92 3.0454 8.738 176 6 8191 1 2.58 2.9796 9.398 176 6 8192 1 2.73 2.8576 9.070 176 6 8193 1 2.77 2.9495 8.888 176 6 8194 1 2.82 2.9993 9.159 176 6 8195 1 2.80 2.8389 9.010 176 6 8200 1 2.91 2.7778 9.204 176 6 8252 1 2.98 2.1417 9.383 176 6 8253 1 2.92 2.4996 9.402 ## Starting information for simulation # 7 176 7 3425 1 2.98 1.8045 11.601 176 7 3426 1 2.85 2.4568 11.430 176 7 3474 1 2.85 2.3711 12.988 176 7 3476 1 2.80 2.4951 12.386 176 7 3478 1 2.75 2.2450 12.103 176 7 3686 1 2.69 2.3625 12.730 176 7 3688 1 2.76 2.9114 12.931 176 7 3832 1 2.75 2.2756 12.150 176 7 3834 1 2.88 2.9845 12.900 176 7 3835 1 3.00 2.7377 12.117 176 7 3862 1 2.93 1.7686 11.896 176 7 3863 1 2.76 1.8102 11.620 176 7 3876 1 2.95 1.8195 11.897 176 7 3885 1 2.86 2.2601 12.161 176 7 3894 1 2.86 2.4922 12.061 176 7 3895 1 2.62 2.5293 12.397 176 7 3896 1 2.67 2.4927 11.973 176 7 3897 1 2.81 2.3206 12.495 176 7 3899 1 2.80 2.7510 12.640 176 7 3900 1 2.96 2.6051 12.230 176 7 3901 1 2.90 2.4769 12.406 176 7 3902 1 2.66 2.7115 12.825 176 7 3903 1 2.61 2.8179 12.351 176 7 4387 1 2.84 2.7885 12.279 176 7 4417 1 2.78 2.6857 12.784 176 7 4418 1 2.72 2.8764 12.937 ## 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 # 13 176 13 8559 1 2.90 2.4257 11.037 ## Starting information for simulation # 14 ## Starting information for simulation # 15 176 15 14 1 2.67 3.0907 12.588 176 15 5113 1 2.83 2.5832 11.817 ## Starting information for simulation # 16 ## Starting information for simulation # 17 ## Starting information for simulation # 18 176 18 4135 1 2.69 2.6616 10.877 176 18 6916 1 2.98 2.4038 12.029 176 18 6917 1 2.77 2.1934 11.791 176 18 6919 1 2.90 2.6423 11.066 176 18 6921 1 2.65 2.4643 11.771 176 18 7986 1 2.96 1.7702 10.790 ## Starting information for simulation # 19 176 19 1165 1 2.91 1.9159 8.338 176 19 1184 1 2.97 2.1674 9.430 176 19 1185 1 2.79 2.6420 9.184 176 19 1186 1 2.63 2.6478 8.708 176 19 1187 1 2.94 2.4845 8.981 176 19 1543 1 2.95 2.2830 10.389 176 19 1544 1 2.94 2.7334 10.849 176 19 1545 1 2.75 2.5885 9.672 176 19 1551 1 2.94 2.7544 9.789 176 19 1553 1 2.81 2.9287 9.921 176 19 1554 1 2.68 2.5119 9.132 176 19 1555 1 2.69 2.3904 9.368 176 19 1556 1 2.88 2.6628 9.181 176 19 1557 1 2.75 2.8314 9.703 176 19 1559 1 2.75 2.6888 10.022 176 19 1565 1 2.74 2.5060 10.591 176 19 2898 1 2.99 2.2310 7.547 176 19 2899 1 2.77 2.5333 7.202 176 19 2910 1 2.84 2.6807 8.011 176 19 2913 1 2.60 2.6820 8.372 176 19 2914 1 2.92 2.1552 8.037 176 19 2946 1 3.00 2.4575 7.332 176 19 2948 1 2.93 2.2371 7.313 176 19 2950 1 2.95 2.7263 7.000 176 19 2951 1 2.93 2.5722 6.730 176 19 3519 1 2.90 2.5808 12.430 176 19 3521 1 2.73 2.7928 12.041 176 19 3523 1 2.56 2.6615 12.708 176 19 3524 1 2.74 3.0526 12.312 176 19 3526 1 2.93 2.5203 12.233 176 19 3736 1 2.81 2.2639 12.115 176 19 3737 1 2.66 2.6507 12.435 176 19 3738 1 2.85 2.6676 11.862 176 19 3739 1 2.68 2.9281 12.242 176 19 3740 1 2.95 2.4531 11.874 176 19 3744 1 2.79 2.0985 11.882 176 19 3767 1 2.74 2.7879 11.709 176 19 3768 1 2.95 2.2270 12.217 176 19 3770 1 2.65 3.0861 12.524 176 19 3771 1 2.89 2.9309 12.456 176 19 3772 1 2.69 2.6342 12.486 176 19 3773 1 2.66 3.0261 12.322 176 19 3774 1 2.95 2.7986 12.370 176 19 3868 1 2.92 2.4862 13.159 176 19 3869 1 2.91 2.5803 12.703 176 19 3883 1 2.85 2.4320 13.577 176 19 3923 1 2.82 2.5430 12.949 176 19 3924 1 2.89 2.9338 12.710 176 19 3925 1 2.81 2.5940 12.988 176 19 4495 1 2.90 2.5729 10.826 176 19 4539 1 2.82 2.5506 10.288 176 19 4540 1 2.79 2.6871 10.487 176 19 4542 1 2.77 3.0601 10.758 176 19 4544 1 2.63 2.5340 10.817 176 19 6329 1 2.89 2.3015 7.373 176 19 6344 1 2.64 2.3418 6.725 176 19 6346 1 2.99 2.4236 8.026 176 19 6560 1 2.98 2.0119 7.971 176 19 6580 1 2.95 2.1951 8.338 176 19 6649 1 2.89 2.7282 8.218 176 19 6659 1 2.76 2.9364 8.619 176 19 6660 1 2.73 2.3329 8.635 176 19 6752 1 3.00 2.7504 7.752 176 19 6799 1 2.79 2.6034 8.121 176 19 6803 1 2.95 1.8017 8.285 176 19 6812 1 2.74 2.3937 7.958 176 19 6814 1 2.86 2.6797 8.202 176 19 6815 1 2.90 2.7939 8.059 176 19 7051 1 2.97 3.0855 9.491 176 19 7098 1 2.85 2.6131 8.481 176 19 7099 1 2.76 2.7903 8.424 176 19 7100 1 2.81 2.5921 8.129 176 19 7111 1 2.77 2.2323 8.021 176 19 7112 1 2.82 2.4500 8.362 176 19 7132 1 2.93 2.1278 8.568 176 19 7136 1 2.59 2.5805 9.059 176 19 7137 1 2.97 2.9742 8.400 176 19 7307 1 2.86 2.4061 8.068 176 19 7386 1 2.91 2.1869 8.461 176 19 7391 1 2.78 2.1824 8.530 176 19 7740 1 2.77 2.3690 5.868 176 19 7742 1 2.92 2.2913 5.970 176 19 7743 1 2.87 2.7248 6.027 176 19 8208 1 2.70 2.6834 11.318 176 19 8209 1 2.78 2.2482 11.325 176 19 8210 1 2.71 2.7444 11.876 176 19 8652 1 2.68 2.7142 12.555 176 19 8653 1 2.93 1.8870 12.169 176 19 8654 1 2.89 2.3614 11.921 176 19 8714 1 2.85 2.1399 12.769 ## Starting information for simulation # 20 176 20 1210 1 2.99 2.6891 10.347 176 20 1214 1 2.79 2.4720 9.188 176 20 1215 1 2.98 2.6400 9.036 ## Starting information for simulation # 21 ## Starting information for simulation # 22 ## Starting information for simulation # 23 ## Starting information for simulation # 24 ## Starting information for simulation # 25 176 25 3631 1 2.90 2.8123 9.730 176 25 3633 1 2.66 2.6675 10.036 176 25 3639 1 2.85 1.9246 10.059 176 25 3641 1 2.84 1.9641 10.154 ## Starting information for simulation # 26 ## Starting information for simulation # 27 176 27 3882 1 2.98 1.7732 10.952 176 27 4067 1 2.68 2.0852 10.281 176 27 4188 1 2.75 2.8520 10.860 ## Starting information for simulation # 28 ## Starting information for simulation # 29 ## Starting information for simulation # 30 176 30 5236 1 2.79 2.4224 12.311 176 30 5238 1 2.89 2.4741 12.486 176 30 7833 1 2.83 2.6723 12.285 176 30 7835 1 2.92 1.8201 12.109 176 30 8344 1 2.83 2.5760 11.724 ## Starting information for simulation # 31 ## Starting information for simulation # 32 176 32 5911 1 2.99 2.1363 9.313 176 32 5918 1 2.82 2.1527 9.659 176 32 5954 1 2.96 1.9047 9.500 176 32 5960 1 2.95 2.4374 8.985 176 32 5996 1 2.96 1.8715 11.439 176 32 6687 1 2.72 2.2007 12.766 176 32 6693 1 2.95 2.9983 12.512 176 32 6694 1 2.72 2.8950 12.922 176 32 6695 1 2.97 2.7873 12.896 176 32 6697 1 2.89 2.1850 13.078 176 32 6843 1 2.92 2.2538 12.284 176 32 7550 1 2.88 2.6589 11.301 176 32 7658 1 2.80 2.5985 10.708 176 32 8067 1 2.80 2.6016 11.875 ## Starting information for simulation # 33 176 33 566 1 2.94 1.9089 12.412 176 33 567 1 2.94 2.6209 12.503 176 33 569 1 2.85 2.3144 11.735 176 33 571 1 2.83 2.6813 11.735 176 33 578 1 2.84 2.1906 12.101 176 33 579 1 2.96 2.5716 12.494 176 33 613 1 2.72 2.9438 13.681 176 33 617 1 2.72 2.7521 12.422 176 33 630 1 2.95 1.7719 13.272 176 33 634 1 2.76 2.8412 12.142 176 33 635 1 2.63 2.9211 11.810 176 33 1405 1 2.87 2.3750 12.010 176 33 2748 1 2.97 2.1216 12.285 176 33 5725 1 2.86 2.8572 12.173 176 33 5913 1 2.92 2.9070 12.345 176 33 6997 1 2.85 2.3856 8.468 176 33 6998 1 3.00 2.6228 8.263 176 33 6999 1 2.68 2.7278 8.572 176 33 7001 1 2.85 2.7412 8.672 176 33 7008 1 2.80 2.3441 8.950 176 33 7035 1 2.85 2.5811 8.836 176 33 7036 1 2.83 2.6011 9.156 176 33 7037 1 2.78 2.3691 9.250 176 33 7054 1 2.97 2.6033 8.518 176 33 7055 1 2.64 2.5489 8.082 176 33 7056 1 2.78 2.6846 8.819 176 33 7057 1 2.93 2.6651 8.815 176 33 7062 1 2.97 2.8578 8.758 176 33 7063 1 2.99 1.8377 8.992 176 33 7070 1 2.99 1.9463 8.605 176 33 7161 1 2.93 2.3578 9.048 176 33 7178 1 2.77 2.9566 9.024 176 33 7188 1 2.94 2.5757 8.896 176 33 7191 1 2.73 2.4584 9.112 176 33 7192 1 2.97 2.6210 8.990 176 33 7196 1 2.87 2.8844 9.129 176 33 7223 1 2.61 2.8032 9.161 176 33 7224 1 2.65 2.8396 9.136 176 33 7225 1 2.96 2.8303 8.919 176 33 7226 1 2.75 2.9931 9.069 176 33 7227 1 2.76 2.4941 9.072 176 33 7228 1 2.66 2.8386 9.313 176 33 7229 1 2.76 2.6369 8.861 176 33 7235 1 2.92 2.4264 8.696 176 33 7236 1 2.78 2.4707 8.626 176 33 7237 1 2.84 2.5512 9.198 176 33 7271 1 2.66 1.9730 8.599 176 33 7272 1 2.83 2.8074 8.279 176 33 7292 1 2.91 2.6414 9.361 176 33 7293 1 2.89 1.8551 9.256 176 33 7301 1 2.88 1.9212 8.881 176 33 7336 1 2.84 1.8842 8.513 176 33 7469 1 2.81 2.1007 9.434 176 33 7505 1 2.79 2.5396 8.781 176 33 7506 1 2.65 2.7466 8.456 176 33 7507 1 2.78 2.3488 8.841 176 33 7525 1 2.84 2.7427 9.073 176 33 7527 1 2.79 1.7765 9.385 176 33 7553 1 2.82 2.6169 9.176 176 33 7563 1 2.78 1.9842 9.173 176 33 7572 1 2.95 2.2468 9.297 176 33 7597 1 2.83 2.9283 9.130 176 33 7599 1 2.75 2.4595 9.125 176 33 7603 1 2.95 2.0120 8.639 176 33 7606 1 2.75 3.0462 8.984 176 33 7607 1 2.77 2.2876 8.722 176 33 7608 1 2.86 2.7159 8.666 176 33 7623 1 2.83 1.9510 8.392 176 33 7689 1 2.72 2.7183 9.209 176 33 7701 1 2.88 1.7826 8.837 176 33 7702 1 2.77 2.5816 8.609 176 33 7704 1 2.90 2.1954 8.708 176 33 7705 1 2.93 2.4983 8.444 176 33 7706 1 2.92 2.6154 9.122 176 33 7708 1 2.86 2.3456 8.401 176 33 7709 1 2.67 2.5904 8.513 176 33 7727 1 2.65 2.8538 8.455 176 33 7774 1 2.84 2.4370 8.673 ## Starting information for simulation # 34 ## Starting information for simulation # 35 ## Starting information for simulation # 36