# Bonding information for index 9 -- 0MA_12@O2 0MA_14@H4O 0MA_14@O4 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 9 2 588 1 2.65 2.7855 13.657 9 2 590 1 2.96 2.5193 13.647 9 2 1017 1 2.68 2.8636 12.837 9 2 1021 1 2.98 2.4808 13.005 9 2 1022 1 2.65 3.1026 12.989 9 2 1025 1 2.84 2.7621 12.944 9 2 1026 1 2.67 2.9235 12.855 9 2 1027 1 2.63 2.7676 12.872 9 2 1028 1 2.60 2.8319 13.021 9 2 1094 1 2.76 2.9376 12.514 9 2 1095 1 2.77 2.9937 12.468 9 2 1098 1 2.72 2.7448 12.749 9 2 1099 1 2.65 2.6004 12.730 9 2 1101 1 2.81 2.7532 13.023 9 2 1102 1 2.91 2.7403 12.539 9 2 1103 1 2.70 3.0209 12.997 9 2 1104 1 2.72 2.3680 13.076 9 2 1127 1 2.80 2.8818 12.696 9 2 1129 1 2.69 2.9173 13.328 9 2 1130 1 2.67 2.8045 13.094 9 2 1131 1 2.88 2.8074 12.664 9 2 1132 1 2.78 2.7428 12.928 9 2 1133 1 2.75 2.9157 12.783 9 2 1135 1 2.72 3.1266 12.880 9 2 1136 1 2.65 2.9848 12.971 9 2 1138 1 2.94 3.0360 13.211 9 2 1139 1 2.58 2.9652 12.939 9 2 1140 1 2.86 2.7359 13.223 9 2 1142 1 2.82 2.9022 12.622 ## Starting information for simulation # 3 ## Starting information for simulation # 4 ## Starting information for simulation # 5 ## Starting information for simulation # 6 9 6 4917 1 2.80 2.4169 9.414 9 6 4934 1 2.77 2.3776 9.054 9 6 4952 1 2.83 2.7209 8.784 9 6 4954 1 2.91 1.7825 9.067 9 6 4965 1 2.77 2.6322 8.898 9 6 4972 1 2.85 2.7455 8.602 9 6 4975 1 2.98 2.2833 9.223 9 6 9737 1 2.79 2.3228 10.600 9 6 9847 1 2.67 2.2946 10.532 9 6 9852 1 2.92 2.3439 10.744 ## Starting information for simulation # 7 ## Starting information for simulation # 8 ## Starting information for simulation # 9 9 9 133 1 2.69 2.5584 13.138 ## Starting information for simulation # 10 ## Starting information for simulation # 11 9 11 2842 1 2.94 2.6511 14.210 9 11 7950 1 2.97 2.8392 11.101 9 11 7952 1 2.85 2.5605 11.431 9 11 7953 1 2.85 2.6528 11.105 9 11 7954 1 2.87 2.8074 10.979 9 11 7955 1 2.90 2.6710 11.388 9 11 7956 1 2.99 2.7898 11.358 9 11 7957 1 2.82 2.9741 12.375 9 11 7958 1 2.91 2.9505 11.732 9 11 7959 1 2.94 2.5896 12.151 9 11 7961 1 2.89 2.9611 12.417 9 11 7964 1 2.85 2.9753 12.171 9 11 7965 1 2.74 2.6621 12.254 9 11 7966 1 2.90 2.8920 12.732 9 11 7967 1 2.88 3.0675 12.675 9 11 7968 1 2.70 2.8906 12.926 9 11 7969 1 2.90 2.6141 12.407 9 11 7970 1 2.72 2.7808 11.994 9 11 7973 1 2.81 2.5244 12.046 9 11 7974 1 2.79 2.9950 12.493 9 11 7975 1 2.82 2.6705 12.126 9 11 7976 1 2.88 2.6622 12.249 ## 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 9 16 2991 1 2.82 2.6798 6.918 9 16 3588 1 2.73 2.6825 9.263 9 16 3589 1 2.92 2.6439 9.151 ## Starting information for simulation # 17 9 17 1745 1 2.84 2.7138 14.359 9 17 1746 1 2.84 2.8777 14.266 9 17 1750 1 2.90 2.9307 14.275 9 17 1751 1 2.68 2.8717 14.030 9 17 1752 1 2.79 2.7246 14.286 9 17 2080 1 2.90 2.7558 14.376 9 17 2108 1 2.93 1.8511 13.740 ## Starting information for simulation # 18 ## Starting information for simulation # 19 ## 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 9 25 7126 1 2.74 2.6382 13.322 9 25 7159 1 2.92 2.8241 12.838 9 25 7163 1 2.86 2.8013 11.703 ## Starting information for simulation # 26 9 26 8505 1 2.86 1.7884 11.928 9 26 9806 1 2.65 2.8328 10.611 9 26 9807 1 2.98 2.8252 10.798 9 26 9808 1 2.93 2.6183 10.743 9 26 9818 1 2.82 2.8932 10.475 9 26 9826 1 2.84 2.6240 10.422 9 26 9828 1 2.86 2.7062 9.932 9 26 9836 1 2.96 2.4066 10.741 9 26 9838 1 2.87 2.9857 9.885 9 26 9839 1 2.65 2.6377 10.298 9 26 9840 1 2.94 2.7831 10.006 9 26 9841 1 2.65 2.6295 10.410 9 26 9842 1 2.99 2.8796 10.596 9 26 9847 1 2.69 2.7549 10.400 9 26 9848 1 2.79 2.7194 10.054 9 26 9849 1 2.99 2.1242 10.416 9 26 9852 1 2.82 2.6583 11.026 9 26 9853 1 2.74 2.4466 10.882 9 26 9856 1 2.58 2.8345 11.271 9 26 9857 1 2.77 2.8449 11.131 9 26 9859 1 3.00 2.5847 11.193 9 26 9860 1 2.71 2.9748 11.538 ## Starting information for simulation # 27 ## Starting information for simulation # 28 9 28 547 1 2.79 2.9079 11.915 9 28 548 1 2.91 3.0183 11.934 ## Starting information for simulation # 29 9 29 1 1 2.64 2.7945 12.000 9 29 2 1 2.97 1.7726 12.102 9 29 3 1 2.88 2.3587 12.086 9 29 52 1 2.86 2.4029 13.167 9 29 53 1 2.72 2.5757 13.067 9 29 54 1 2.68 2.6373 13.520 9 29 135 1 2.86 2.7472 12.888 9 29 136 1 2.60 2.8052 12.968 9 29 139 1 2.74 2.8453 12.617 9 29 1180 1 2.92 2.9967 13.453 9 29 2400 1 2.71 3.1263 12.594 9 29 6661 1 2.81 2.4605 13.035 ## Starting information for simulation # 30 9 30 3173 1 2.95 2.0605 12.650 ## Starting information for simulation # 31 ## Starting information for simulation # 32 9 32 6523 1 2.97 1.7838 12.273 9 32 6525 1 2.65 2.7267 12.310 ## Starting information for simulation # 33 ## Starting information for simulation # 34 ## Starting information for simulation # 35 ## Starting information for simulation # 36 9 36 830 1 2.59 2.6522 8.826 9 36 831 1 2.74 2.9388 9.149