# Bonding information for index 107 -- 0MA_12@O6 0MA_14@H6O 0MA_14@O6 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 107 2 956 1 2.92 2.0754 13.146 107 2 1104 1 2.79 2.8462 13.076 107 2 8408 1 2.77 2.8651 10.994 107 2 8411 1 2.98 2.6488 11.630 ## Starting information for simulation # 3 ## Starting information for simulation # 4 ## Starting information for simulation # 5 107 5 525 1 2.87 2.5882 12.117 107 5 526 1 2.73 2.3631 12.785 ## Starting information for simulation # 6 107 6 4568 1 2.80 2.9701 9.711 107 6 5730 1 2.79 2.5459 11.008 107 6 6220 1 2.66 2.7227 8.729 107 6 6221 1 2.66 2.7932 8.984 107 6 6223 1 2.75 2.9735 9.164 107 6 6258 1 2.78 3.0393 9.088 107 6 6260 1 2.68 2.7883 9.563 107 6 7616 1 2.90 2.7183 8.922 107 6 7617 1 2.68 2.7077 9.289 107 6 7758 1 2.92 2.4041 9.737 107 6 7759 1 2.84 2.9557 9.311 107 6 7760 1 2.67 2.8440 9.541 107 6 7762 1 2.63 2.8520 9.253 107 6 9339 1 2.79 2.5656 9.901 107 6 9340 1 2.74 2.0336 9.935 ## Starting information for simulation # 7 107 7 2862 1 2.86 2.6741 10.500 107 7 2865 1 2.68 2.6911 10.564 107 7 2866 1 2.96 2.4748 10.542 107 7 2867 1 2.74 2.5111 10.233 107 7 2868 1 2.91 2.7994 10.723 107 7 2869 1 2.75 2.8665 11.298 107 7 2870 1 2.83 2.6212 10.796 107 7 2871 1 2.71 2.6524 10.780 107 7 2874 1 2.71 2.9766 10.229 107 7 2875 1 2.89 2.8306 10.479 107 7 2877 1 2.71 2.3504 9.947 107 7 2878 1 2.71 3.0122 10.096 107 7 2924 1 2.72 2.9624 9.894 107 7 2927 1 2.79 2.9583 9.451 107 7 2932 1 2.94 2.8414 10.412 107 7 8417 1 2.81 3.0350 10.674 107 7 9720 1 2.70 2.7903 12.419 107 7 9721 1 2.79 3.0392 11.837 107 7 9722 1 2.71 2.7324 12.203 107 7 9727 1 2.78 2.5541 12.185 107 7 9846 1 2.68 2.4701 12.282 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 107 10 9438 1 2.84 2.4166 10.599 ## Starting information for simulation # 11 107 11 7998 1 2.71 2.8492 12.385 107 11 8005 1 2.82 2.7638 12.369 107 11 8139 1 2.79 2.3290 12.340 107 11 8144 1 2.78 2.6717 13.170 107 11 8147 1 2.64 2.9720 13.279 107 11 8148 1 2.89 2.5159 13.052 107 11 8149 1 2.76 2.6938 12.964 107 11 8150 1 2.77 2.4218 13.550 107 11 8165 1 2.76 2.7462 12.760 107 11 8166 1 2.82 2.4219 13.169 107 11 8185 1 2.76 2.8983 12.211 107 11 8186 1 2.90 2.8099 12.880 107 11 8187 1 2.80 2.7413 12.921 107 11 8188 1 2.96 2.6583 12.870 107 11 8190 1 2.76 2.2344 12.392 107 11 8191 1 2.85 2.6127 12.643 107 11 8192 1 2.59 2.9550 12.644 107 11 8193 1 2.72 2.7708 12.845 107 11 8194 1 2.90 2.7049 12.589 107 11 8195 1 2.77 2.8007 12.980 107 11 8196 1 2.88 2.6577 12.701 107 11 8197 1 2.81 2.6669 12.918 107 11 8198 1 2.77 3.0136 12.702 107 11 8200 1 2.90 2.4349 12.651 107 11 8201 1 2.91 2.0449 13.199 107 11 8203 1 2.61 2.7057 12.775 107 11 8204 1 2.70 2.6827 12.798 107 11 8205 1 2.67 2.6277 12.719 107 11 8206 1 2.68 2.6364 12.553 107 11 8208 1 2.70 2.7236 12.878 107 11 8209 1 2.86 3.0974 12.465 107 11 8210 1 2.67 2.8123 12.692 107 11 8212 1 2.88 2.4743 12.739 107 11 8213 1 2.84 2.6192 12.077 107 11 8216 1 2.86 2.7975 13.273 107 11 8302 1 2.87 2.5214 12.407 107 11 8303 1 2.63 2.8147 11.952 107 11 8304 1 2.78 2.7784 11.606 107 11 8305 1 2.65 2.3585 12.152 107 11 8306 1 2.75 2.6983 12.418 107 11 8536 1 2.89 2.9124 12.452 107 11 8538 1 2.91 2.6289 12.957 107 11 8539 1 2.64 2.9178 13.345 107 11 8541 1 2.84 2.8092 12.876 107 11 8542 1 2.68 2.7189 13.083 107 11 8543 1 2.97 2.9410 12.828 107 11 8544 1 2.78 2.8203 13.383 107 11 8545 1 2.94 2.9270 13.269 ## Starting information for simulation # 12 ## Starting information for simulation # 13 ## Starting information for simulation # 14 ## Starting information for simulation # 15 ## Starting information for simulation # 16 ## Starting information for simulation # 17 107 17 9861 1 2.84 3.0237 10.589 107 17 9895 1 2.81 2.9694 10.057 ## Starting information for simulation # 18 107 18 5046 1 2.98 1.8222 13.778 107 18 5051 1 2.94 2.8422 13.732 ## Starting information for simulation # 19 107 19 3055 1 2.71 2.4984 10.957 107 19 3056 1 2.92 2.4722 11.227 107 19 3057 1 2.84 3.0437 11.452 107 19 3058 1 2.69 2.6526 11.640 107 19 3059 1 2.78 2.7042 11.777 107 19 3060 1 2.91 2.9856 11.607 107 19 3063 1 2.64 2.9852 11.547 107 19 3066 1 2.81 2.6697 12.317 107 19 3068 1 2.68 2.8032 12.478 107 19 6322 1 2.80 2.7847 7.223 107 19 6323 1 2.76 2.8199 7.008 107 19 6349 1 2.70 2.9303 8.257 107 19 6350 1 2.84 2.7412 7.686 107 19 6352 1 2.79 2.9877 8.269 107 19 6357 1 2.66 3.0729 7.880 107 19 6358 1 2.69 2.7596 7.393 107 19 6359 1 2.69 2.8928 8.339 ## Starting information for simulation # 20 ## Starting information for simulation # 21 ## Starting information for simulation # 22 107 22 4460 1 2.91 2.9759 13.372 107 22 4938 1 2.99 1.8307 13.588 107 22 4950 1 2.84 2.8757 13.277 107 22 4951 1 2.98 2.5718 12.897 107 22 4952 1 2.83 2.6158 12.946 ## Starting information for simulation # 23 107 23 2156 1 2.70 2.9077 11.565 107 23 5037 1 2.71 2.7731 10.922 ## Starting information for simulation # 24 ## Starting information for simulation # 25 ## Starting information for simulation # 26 107 26 3945 1 2.72 2.8936 11.654 107 26 3970 1 2.89 2.6956 13.005 107 26 3971 1 2.87 2.5481 12.668 107 26 3972 1 2.80 3.0290 12.487 107 26 3973 1 2.68 2.7832 12.252 107 26 4596 1 2.75 2.7863 10.358 107 26 4598 1 2.78 2.1148 11.739 107 26 4680 1 2.70 2.8276 12.735 107 26 4692 1 2.89 2.5817 13.401 107 26 4698 1 2.96 2.7970 12.798 107 26 4702 1 2.89 2.6910 12.993 107 26 4704 1 2.64 2.6752 12.495 107 26 4705 1 2.77 3.0880 12.458 107 26 4706 1 2.72 2.7645 12.960 107 26 4707 1 2.96 2.8320 13.527 107 26 4714 1 2.91 2.5608 12.961 107 26 4715 1 2.98 2.4943 12.672 107 26 4716 1 2.93 2.2937 13.017 107 26 4717 1 2.70 2.9674 12.672 107 26 4720 1 2.71 2.5268 13.043 107 26 4721 1 2.65 2.8191 13.166 107 26 4722 1 2.73 2.5879 12.801 107 26 4724 1 2.91 2.7595 12.907 107 26 4739 1 2.73 3.1346 12.786 107 26 4740 1 2.95 2.6428 12.797 107 26 4741 1 2.76 2.8499 12.329 107 26 4742 1 2.77 2.7728 12.301 107 26 4743 1 2.78 2.8441 12.618 107 26 4744 1 3.00 2.2021 12.075 ## Starting information for simulation # 27 ## Starting information for simulation # 28 ## Starting information for simulation # 29 107 29 5963 1 2.58 2.5904 13.187 ## Starting information for simulation # 30 ## Starting information for simulation # 31 ## Starting information for simulation # 32 ## Starting information for simulation # 33 107 33 3856 1 2.77 2.9291 13.537 107 33 3857 1 2.77 2.8378 13.004 107 33 3858 1 2.83 2.7517 12.881 107 33 3859 1 2.90 2.5839 13.544 107 33 3862 1 2.64 2.7591 12.344 107 33 3863 1 2.71 2.7811 13.328 107 33 3864 1 2.70 2.7209 13.156 107 33 3872 1 2.96 2.6713 12.046 107 33 4133 1 2.97 2.6588 13.370 107 33 4184 1 2.68 2.6672 13.152 107 33 7430 1 2.97 2.5531 8.712 107 33 7431 1 2.85 2.6250 8.902 107 33 7433 1 2.76 2.8883 8.577 107 33 7434 1 2.79 2.6948 8.427 107 33 7435 1 2.97 2.6741 8.597 107 33 7436 1 2.75 2.8128 8.655 107 33 7438 1 2.74 2.7882 9.097 107 33 7440 1 2.80 2.9435 9.725 107 33 7441 1 2.88 2.8514 9.120 107 33 7442 1 2.92 2.6920 9.077 107 33 7443 1 2.77 2.7363 9.693 107 33 7444 1 2.84 2.7398 9.055 107 33 7596 1 2.92 2.9149 8.887 107 33 7597 1 2.77 2.5336 9.130 107 33 7598 1 2.89 2.7717 9.132 107 33 7599 1 2.97 2.7813 9.125 107 33 7816 1 2.91 2.7207 9.242 107 33 7819 1 2.68 2.9554 8.717 107 33 7821 1 2.95 2.8056 8.794 107 33 7822 1 2.79 2.7889 9.512 107 33 7823 1 2.76 2.7772 9.262 107 33 7824 1 2.72 2.9719 8.986 107 33 7825 1 2.75 2.5470 8.468 107 33 7826 1 2.75 3.1274 8.651 107 33 7827 1 2.64 2.9699 8.855 107 33 7828 1 2.75 2.7541 8.661 107 33 7829 1 2.96 2.9100 8.723 107 33 7830 1 2.94 3.0711 8.707 107 33 7831 1 2.71 2.7143 8.660 107 33 7832 1 2.61 3.0936 8.900 107 33 7833 1 2.63 2.7598 9.102 107 33 7834 1 2.86 2.8387 8.825 107 33 7835 1 2.80 3.0606 8.748 107 33 7836 1 2.88 2.8820 8.873 107 33 7837 1 2.79 2.7486 9.185 107 33 7838 1 2.98 2.5109 8.856 ## Starting information for simulation # 34 107 34 6067 1 2.87 2.8726 12.460 107 34 6068 1 2.82 2.8007 12.510 107 34 6069 1 2.61 3.0626 12.015 107 34 6073 1 2.81 2.6650 12.456 107 34 6074 1 2.60 2.9308 12.868 107 34 6076 1 2.76 2.8063 12.553 107 34 6077 1 2.94 2.9893 11.897 107 34 6091 1 2.70 2.8649 12.405 107 34 6092 1 2.69 1.9943 13.205 107 34 6093 1 2.72 2.7328 12.549 107 34 6094 1 2.98 2.9996 12.369 107 34 6096 1 2.95 2.7117 12.187 107 34 6097 1 2.73 2.4863 12.048 107 34 6100 1 2.93 2.3360 12.448 107 34 6101 1 2.89 2.5872 12.631 107 34 6102 1 2.65 2.6752 13.353 107 34 6104 1 2.90 3.0159 12.850 107 34 6106 1 2.83 2.8453 13.077 107 34 6108 1 2.85 2.7696 13.337 107 34 6109 1 2.90 2.7541 12.268 107 34 6123 1 2.81 2.6174 12.874 107 34 6124 1 2.60 2.8521 13.058 107 34 7779 1 2.94 2.4852 14.033 107 34 7780 1 2.95 2.3253 13.545 107 34 7782 1 2.93 2.8216 13.894 107 34 7873 1 2.69 2.8671 11.841 107 34 8153 1 2.67 2.9151 12.324 107 34 8154 1 2.72 2.5475 12.587 107 34 8523 1 2.77 3.0648 11.977 107 34 8524 1 2.76 2.9692 12.322 107 34 8526 1 2.74 2.9338 12.390 107 34 8527 1 2.81 2.6813 12.070 107 34 8528 1 2.90 2.3462 12.627 107 34 8529 1 2.91 2.8363 12.420 107 34 8530 1 2.82 2.9364 12.521 107 34 8532 1 2.97 2.7793 11.991 107 34 8535 1 2.87 2.5138 12.154 107 34 8536 1 2.87 2.8748 12.325 107 34 8544 1 2.73 2.5067 11.748 107 34 8545 1 2.84 2.6203 12.663 107 34 8546 1 2.91 2.9486 12.852 107 34 8944 1 2.92 3.0070 12.506 107 34 9063 1 2.79 2.7174 11.673 107 34 9072 1 2.86 3.0307 11.067 107 34 9670 1 2.85 2.9747 10.583 107 34 9671 1 2.79 2.5977 11.010 107 34 9673 1 2.97 3.0206 11.614 107 34 9674 1 2.87 2.6914 11.573 107 34 9675 1 2.65 3.0278 12.108 107 34 9677 1 2.61 2.8773 11.744 107 34 9680 1 2.82 2.5565 11.101 107 34 9886 1 2.66 2.8613 12.429 107 34 9887 1 2.87 2.4300 12.250 107 34 9968 1 2.89 2.4735 10.998 107 34 9969 1 2.76 2.6884 11.983 107 34 9971 1 2.98 2.6908 12.052 107 34 9972 1 2.80 2.8969 11.414 107 34 9973 1 2.79 2.3915 11.543 107 34 9974 1 2.85 2.4171 11.577 107 34 9975 1 2.73 2.7279 11.944 107 34 10654 1 3.00 2.8804 13.002 ## Starting information for simulation # 35 ## Starting information for simulation # 36