# Bonding information for index 346 -- 0MA_14@O6 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 ## Starting information for simulation # 5 ## Starting information for simulation # 6 346 6 6720 1 2.94 2.7528 10.666 346 6 7014 1 2.70 3.0680 9.001 346 6 7124 1 2.77 2.5896 9.182 346 6 7125 1 2.74 3.0989 8.700 ## Starting information for simulation # 7 346 7 820 1 2.89 2.4037 8.699 346 7 825 1 2.82 2.4618 8.196 346 7 826 1 2.83 2.8030 8.530 346 7 827 1 2.68 2.3937 8.197 346 7 828 1 2.90 2.3940 7.582 346 7 829 1 2.67 2.6581 8.697 346 7 830 1 2.98 2.3437 8.280 346 7 836 1 2.77 2.5737 8.034 346 7 837 1 2.79 2.5602 8.559 346 7 838 1 2.76 2.8536 7.947 346 7 840 1 2.87 2.4469 8.427 346 7 846 1 2.98 2.5064 8.508 346 7 847 1 2.57 2.6608 8.992 346 7 849 1 2.98 1.8442 8.402 346 7 851 1 2.71 2.7634 8.328 346 7 852 1 2.96 2.9557 9.394 346 7 854 1 2.90 2.5906 8.956 346 7 860 1 2.97 2.6373 9.163 346 7 868 1 2.73 2.6986 8.563 346 7 869 1 2.94 2.3203 8.071 346 7 981 1 2.72 3.0509 9.680 346 7 1073 1 2.77 2.8367 9.629 346 7 1074 1 2.66 2.7036 9.525 346 7 1076 1 2.81 3.0948 9.279 346 7 1077 1 2.73 2.8396 9.813 346 7 1078 1 2.64 2.6793 9.125 346 7 1080 1 2.76 2.9425 9.295 346 7 1090 1 2.99 2.7199 9.140 346 7 1094 1 2.62 2.8969 9.469 346 7 1095 1 2.81 2.6450 9.565 346 7 1096 1 2.73 2.9346 8.859 346 7 1097 1 2.75 2.9231 9.677 346 7 1098 1 2.75 2.9739 9.718 346 7 1099 1 2.96 2.8233 9.480 346 7 1101 1 2.71 3.0844 9.552 346 7 1102 1 2.67 3.0273 9.325 346 7 1104 1 2.97 3.0791 9.657 346 7 1105 1 2.70 2.7598 8.884 346 7 1106 1 2.74 2.8284 9.114 346 7 1107 1 2.73 2.7143 8.992 346 7 1109 1 2.81 2.7644 8.777 346 7 1110 1 2.92 2.7857 9.489 346 7 1111 1 2.70 2.2436 9.186 346 7 1112 1 2.96 2.9532 8.995 346 7 1114 1 2.93 2.9074 9.421 346 7 1116 1 2.69 2.1919 8.562 346 7 1117 1 2.96 2.8021 9.017 346 7 1118 1 2.67 2.7819 9.157 346 7 1119 1 2.87 2.8137 9.403 346 7 1120 1 2.69 2.9076 9.607 346 7 1121 1 2.76 2.2529 9.666 346 7 1122 1 2.78 2.4621 8.874 346 7 1123 1 2.74 2.2613 8.690 346 7 1126 1 2.75 2.7709 9.187 346 7 1127 1 2.76 2.8283 8.819 346 7 1128 1 2.84 2.5964 9.285 346 7 1130 1 2.73 2.5676 9.655 346 7 1131 1 2.75 2.7124 10.248 346 7 1132 1 2.67 2.8216 9.859 346 7 1144 1 2.77 2.7357 8.255 346 7 1145 1 2.71 2.8747 9.273 346 7 1146 1 2.95 2.1226 8.860 346 7 1147 1 2.83 3.0480 9.001 346 7 1149 1 2.74 2.9137 9.747 346 7 1150 1 2.74 2.7947 9.028 346 7 1151 1 2.89 2.7503 9.463 346 7 1152 1 2.69 2.7262 9.796 346 7 1153 1 2.79 2.9028 9.625 346 7 1154 1 2.67 2.9846 10.399 346 7 1155 1 2.71 2.9813 9.327 346 7 1156 1 2.86 2.6973 9.854 346 7 1157 1 2.71 3.0085 9.871 346 7 1158 1 2.84 2.3509 9.679 346 7 1159 1 2.71 2.3549 9.440 346 7 1160 1 2.69 3.0255 9.406 346 7 1161 1 2.75 2.7993 9.765 346 7 1162 1 2.74 2.7255 9.227 346 7 1163 1 2.95 2.9596 9.214 346 7 1164 1 2.85 2.9258 9.646 346 7 1165 1 2.99 2.6012 9.544 346 7 1166 1 2.80 2.8149 9.925 346 7 1167 1 2.84 2.9110 10.072 346 7 1169 1 2.72 2.9492 10.338 346 7 1170 1 2.67 2.7415 10.857 346 7 1171 1 2.79 2.5485 10.459 346 7 1172 1 2.82 2.9733 10.202 346 7 1174 1 2.87 2.9081 9.214 346 7 1176 1 2.74 2.8505 9.678 346 7 1178 1 2.65 2.8296 9.634 346 7 2923 1 2.86 1.8299 11.055 346 7 9773 1 2.79 2.9553 12.044 346 7 9777 1 2.81 2.6803 12.681 346 7 9804 1 2.62 2.9270 9.766 346 7 9805 1 2.87 3.0516 10.278 ## 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 ## Starting information for simulation # 16 ## Starting information for simulation # 17 ## Starting information for simulation # 18 ## Starting information for simulation # 19 346 19 638 1 2.82 3.0348 10.570 346 19 683 1 2.94 2.2896 9.930 346 19 6111 1 2.77 2.8528 8.852 346 19 6225 1 2.68 2.6449 7.615 346 19 6253 1 2.92 1.9553 7.658 ## Starting information for simulation # 20 ## Starting information for simulation # 21 ## Starting information for simulation # 22 ## Starting information for simulation # 23 346 23 3133 1 2.83 2.9478 10.162 346 23 3135 1 2.81 2.6664 10.551 346 23 3136 1 2.62 3.0932 10.367 346 23 3137 1 2.74 2.7713 9.914 346 23 3138 1 2.72 2.6609 9.572 346 23 3142 1 2.74 3.0090 9.891 346 23 3143 1 2.74 3.0034 9.896 346 23 3144 1 2.57 2.6432 9.256 ## Starting information for simulation # 24 ## Starting information for simulation # 25 ## Starting information for simulation # 26 ## Starting information for simulation # 27 ## Starting information for simulation # 28 ## Starting information for simulation # 29 ## Starting information for simulation # 30 ## Starting information for simulation # 31 346 31 5193 1 2.74 2.5500 11.839 346 31 5194 1 2.70 2.6784 12.472 ## Starting information for simulation # 32 ## Starting information for simulation # 33 346 33 7078 1 2.97 2.1478 10.343 346 33 7125 1 2.86 1.7479 9.239 346 33 7865 1 2.82 2.5885 9.227 346 33 7894 1 2.96 3.0956 8.625 346 33 8145 1 2.86 2.9077 9.204 346 33 8214 1 2.66 2.8122 8.927 346 33 8215 1 2.70 3.0395 9.338 346 33 8216 1 2.67 2.9387 9.361 346 33 8217 1 2.85 2.9644 9.583 346 33 8301 1 2.72 2.5397 8.911 346 33 8310 1 2.97 3.1045 8.499 346 33 8319 1 2.89 2.5040 8.521 346 33 8322 1 2.80 2.7859 8.707 346 33 8323 1 2.82 2.9781 8.706 346 33 8324 1 2.65 2.8345 8.259 346 33 8387 1 2.68 2.8597 9.309 346 33 8389 1 2.78 2.7855 9.414 346 33 9007 1 2.74 2.4549 9.339 ## Starting information for simulation # 34 346 34 5885 1 2.78 3.0746 13.918 346 34 5886 1 2.97 2.8283 14.415 346 34 5888 1 2.85 2.4097 14.156 346 34 5889 1 2.91 2.6972 14.030 346 34 5890 1 2.92 2.8731 14.745 346 34 5892 1 2.73 2.3611 14.368 346 34 5893 1 2.93 2.7170 14.656 346 34 5894 1 2.70 2.6224 14.365 346 34 6673 1 2.66 2.7389 13.746 346 34 6675 1 2.65 3.0750 14.387 346 34 6679 1 2.72 3.0035 14.690 346 34 6680 1 2.63 2.7930 13.900 346 34 6681 1 2.80 2.7648 14.091 346 34 6682 1 2.96 2.8014 14.007 346 34 6683 1 2.89 2.7462 14.375 346 34 6684 1 2.83 2.7928 14.273 346 34 6702 1 2.64 2.7699 14.234 346 34 6703 1 2.89 2.2178 14.027 346 34 6704 1 2.89 2.3095 14.618 346 34 6705 1 2.87 2.0986 14.310 346 34 7200 1 2.90 2.5588 13.995 346 34 7201 1 2.74 2.8215 14.135 346 34 7202 1 2.83 2.5886 13.946 346 34 7203 1 2.64 2.5971 14.151 346 34 7205 1 3.00 2.7418 14.529 346 34 7206 1 2.81 2.4883 14.086 346 34 7207 1 2.61 2.6147 14.457 346 34 7208 1 2.86 2.8107 14.612 346 34 7210 1 2.85 2.8340 14.048 346 34 7211 1 2.80 2.6188 14.410 346 34 7212 1 2.71 2.8610 14.143 346 34 7213 1 2.71 2.7477 14.313 346 34 7214 1 2.64 2.8742 14.105 346 34 7215 1 2.87 2.8146 14.272 346 34 7216 1 2.80 2.6244 14.320 346 34 7217 1 2.77 2.6284 14.348 346 34 7558 1 2.74 2.8523 13.395 346 34 7559 1 2.87 3.1118 13.886 346 34 7560 1 2.86 2.5425 13.917 346 34 7561 1 2.99 3.0199 14.273 346 34 7562 1 2.83 2.4366 13.850 346 34 7563 1 2.82 2.6715 13.947 346 34 7564 1 2.76 3.0264 13.913 346 34 7566 1 2.60 3.0623 13.579 346 34 7567 1 2.95 2.7210 14.240 346 34 7569 1 2.71 2.8410 14.429 346 34 7570 1 2.84 2.7811 14.039 346 34 7572 1 2.92 2.8608 13.978 346 34 7573 1 2.99 2.7125 12.862 346 34 7574 1 2.83 2.9062 13.493 346 34 7575 1 2.98 2.5477 13.946 346 34 7576 1 2.70 2.6913 14.184 346 34 7577 1 2.68 2.8270 13.707 346 34 7578 1 2.89 2.9228 13.684 346 34 7579 1 2.87 2.9443 13.776 346 34 7581 1 2.87 2.6406 13.833 346 34 7583 1 2.80 2.9817 14.252 346 34 7584 1 2.90 2.7792 14.346 346 34 7585 1 2.78 2.6745 14.142 346 34 7587 1 2.95 2.6919 13.583 346 34 7591 1 2.81 2.6523 13.407 346 34 7592 1 2.75 2.9424 13.364 346 34 7593 1 2.90 2.7033 13.099 346 34 7620 1 2.73 2.9888 12.908 346 34 7685 1 2.71 2.7713 13.375 346 34 7686 1 2.86 2.7908 13.498 346 34 7687 1 2.63 2.8670 13.473 346 34 7688 1 2.80 2.8351 13.515 346 34 7689 1 2.75 3.1136 13.415 346 34 7690 1 2.92 2.8978 13.327 346 34 7691 1 2.90 2.4769 13.607 346 34 7692 1 2.85 2.7069 13.758 346 34 7693 1 2.77 2.8049 13.262 346 34 7697 1 2.92 2.9263 12.518 346 34 7700 1 2.76 2.9979 13.610 346 34 7824 1 2.81 2.8514 13.393 346 34 7826 1 2.65 2.8355 13.417 346 34 7829 1 2.72 2.9889 13.635 346 34 7830 1 2.70 2.6473 13.975 346 34 7831 1 2.59 2.8643 14.007 346 34 7832 1 2.63 2.7654 13.752 346 34 7848 1 2.80 2.4997 13.142 346 34 7849 1 2.83 2.9078 13.255 346 34 7851 1 2.90 2.7104 13.768 346 34 7853 1 2.60 2.8425 13.225 346 34 7854 1 2.72 2.5853 13.243 346 34 7855 1 2.67 2.9162 13.423 346 34 7856 1 2.97 2.8926 13.353 346 34 7857 1 2.72 3.0413 13.686 346 34 7858 1 2.82 2.6628 14.002 346 34 7859 1 2.91 2.7132 14.215 346 34 7860 1 2.69 2.6928 13.674 346 34 7891 1 2.65 2.8765 13.770 346 34 8004 1 2.90 2.3832 14.108 346 34 8034 1 2.70 2.4942 12.820 346 34 8490 1 2.87 2.1257 13.334 346 34 8615 1 2.99 2.0821 13.913 346 34 8697 1 2.87 2.2366 14.040 346 34 8699 1 2.92 2.6429 13.804 346 34 8700 1 2.80 2.9198 13.662 346 34 8933 1 2.91 1.7998 11.179 346 34 8937 1 2.73 2.5358 11.793 346 34 9929 1 2.98 2.2407 13.097 346 34 9931 1 2.90 2.7467 12.639 346 34 9932 1 2.71 2.8847 11.556 346 34 9933 1 2.74 2.7669 11.714 346 34 9934 1 2.90 1.9584 12.144 346 34 9935 1 2.73 2.3743 12.440 346 34 9936 1 2.95 1.9999 12.213 ## Starting information for simulation # 35 ## Starting information for simulation # 36