# Bonding information for index 108 -- 0MA_12@O6 0MA_15@H2O 0MA_15@O2 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 108 1 7451 1 3.00 1.7697 7.694 ## Starting information for simulation # 2 108 2 1308 1 2.67 3.0362 11.463 108 2 1310 1 2.76 3.0421 11.436 108 2 1311 1 2.67 2.8070 10.773 108 2 1312 1 2.66 2.8964 11.497 108 2 1313 1 2.66 2.8818 11.630 108 2 1314 1 2.64 2.7109 11.424 108 2 1315 1 2.70 2.9192 11.221 108 2 1316 1 2.85 2.8968 11.403 108 2 1320 1 2.94 2.8813 11.200 108 2 1967 1 2.61 2.9674 9.104 108 2 1968 1 2.77 2.8299 9.117 108 2 1969 1 2.86 2.7032 9.587 108 2 1971 1 2.84 2.2977 9.007 108 2 1972 1 2.95 2.7353 9.168 108 2 1974 1 2.81 2.4220 9.571 108 2 1975 1 2.84 2.5244 9.587 108 2 2012 1 2.82 2.7225 8.996 108 2 2030 1 2.77 2.9922 9.944 108 2 2031 1 2.72 2.9645 9.773 108 2 2032 1 2.75 2.9835 9.688 108 2 2036 1 2.92 2.9971 9.782 108 2 2037 1 2.84 2.9878 10.428 108 2 2039 1 2.61 2.9617 9.931 108 2 2040 1 2.67 2.9185 10.365 108 2 2041 1 2.90 2.7127 9.951 108 2 2042 1 2.81 2.7289 9.906 108 2 2045 1 2.85 2.1555 9.363 108 2 2046 1 2.76 3.0243 9.903 108 2 2050 1 2.71 2.9053 9.826 108 2 2052 1 2.70 2.9900 9.842 108 2 2055 1 2.89 2.6868 9.662 108 2 2062 1 2.89 2.8603 9.495 108 2 2063 1 2.59 2.9531 9.729 108 2 2064 1 2.73 2.8304 9.965 108 2 2065 1 2.97 2.7096 9.808 108 2 2066 1 2.85 2.9406 9.428 108 2 2069 1 2.96 2.7109 9.387 108 2 2071 1 2.83 2.8618 9.222 108 2 2072 1 2.80 2.6956 9.265 108 2 2079 1 2.85 2.6224 9.164 108 2 2080 1 2.87 2.5382 9.347 108 2 2089 1 2.92 2.7628 9.220 108 2 2090 1 2.83 3.0426 9.952 108 2 2091 1 2.84 3.0533 9.427 108 2 2092 1 2.70 2.6182 9.705 108 2 2263 1 2.92 2.8976 9.128 108 2 2265 1 2.72 2.9578 9.696 108 2 2266 1 2.77 2.7934 9.767 108 2 2269 1 2.90 2.8468 9.676 108 2 2274 1 2.90 2.9411 9.578 108 2 2275 1 2.83 3.0744 9.351 108 2 2277 1 2.96 2.5090 9.524 108 2 2278 1 2.76 2.7732 9.129 108 2 2279 1 2.99 2.6705 9.468 108 2 2280 1 2.85 2.6575 9.408 108 2 2281 1 2.84 2.9740 9.009 108 2 2282 1 2.69 2.8430 9.604 ## Starting information for simulation # 3 108 3 9887 1 2.62 2.6744 10.735 108 3 9895 1 2.83 2.7702 11.152 108 3 9896 1 2.87 2.8762 11.214 108 3 9897 1 2.72 2.7109 11.206 108 3 9898 1 2.78 2.6374 10.696 108 3 9899 1 2.83 2.5600 11.470 108 3 9900 1 2.96 2.2700 11.241 108 3 9901 1 2.81 2.5761 11.223 108 3 9903 1 2.91 2.4599 11.233 108 3 9909 1 2.96 2.8585 11.114 108 3 9911 1 2.73 2.7661 11.397 108 3 9912 1 2.61 2.6987 11.373 ## Starting information for simulation # 4 ## Starting information for simulation # 5 108 5 31 1 2.79 2.7643 11.199 108 5 83 1 2.70 2.7056 10.818 108 5 84 1 2.73 2.6203 10.830 108 5 8913 1 2.89 2.0832 9.386 108 5 8916 1 2.99 2.5138 9.094 108 5 9211 1 2.88 1.9643 9.153 108 5 9851 1 2.75 2.6335 9.553 108 5 9853 1 2.92 2.9032 8.893 108 5 9854 1 2.80 2.7404 8.637 ## Starting information for simulation # 6 ## Starting information for simulation # 7 108 7 4982 1 2.95 2.6989 12.660 ## Starting information for simulation # 8 108 8 4173 1 2.87 2.4032 10.637 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 ## Starting information for simulation # 12 ## Starting information for simulation # 13 108 13 3944 1 2.73 2.8602 11.931 108 13 3949 1 2.61 2.6193 11.898 108 13 3950 1 2.70 1.9966 12.075 108 13 3951 1 2.68 2.6554 11.940 108 13 3952 1 2.69 3.0798 12.197 108 13 3953 1 2.83 2.7923 11.937 108 13 3954 1 2.75 2.6275 11.665 108 13 3955 1 2.74 2.8277 11.219 108 13 3958 1 2.73 2.5866 11.092 108 13 3962 1 2.83 2.8592 11.404 108 13 3963 1 2.96 2.8632 11.788 108 13 3964 1 2.66 3.0701 12.081 108 13 3965 1 2.90 2.4219 11.154 108 13 6011 1 2.62 2.7827 12.022 108 13 6033 1 2.99 1.9377 11.839 108 13 6038 1 2.97 1.8737 11.548 108 13 6051 1 2.97 2.3236 12.399 108 13 6083 1 2.80 2.7546 10.911 108 13 6084 1 2.83 2.5484 11.027 108 13 6088 1 2.81 2.6441 11.747 108 13 6104 1 2.88 1.8407 11.419 108 13 6263 1 2.81 2.5139 11.641 108 13 6306 1 2.93 2.6147 13.048 108 13 6307 1 2.73 2.8322 12.659 108 13 6311 1 2.74 2.4851 11.954 108 13 6312 1 2.88 2.4963 12.477 108 13 6314 1 2.88 3.0022 11.916 108 13 6315 1 2.94 1.9142 11.796 108 13 6337 1 2.96 1.9408 11.967 108 13 6342 1 2.97 2.1690 11.879 108 13 6346 1 2.90 2.4035 12.519 108 13 6347 1 2.77 2.6232 11.792 108 13 6354 1 2.77 2.7656 12.061 108 13 6355 1 2.95 2.7098 12.097 108 13 6357 1 2.87 2.6240 12.283 108 13 6381 1 2.74 2.6099 12.630 108 13 6382 1 2.69 2.8095 12.597 108 13 6388 1 2.91 2.3572 11.511 108 13 6399 1 2.79 2.4243 12.424 108 13 6400 1 2.92 2.5714 12.346 108 13 6407 1 2.91 2.3971 12.108 108 13 6411 1 2.94 1.8382 11.539 108 13 6583 1 2.85 2.2788 11.862 108 13 6628 1 2.58 2.8848 11.870 108 13 6635 1 2.95 1.8803 11.961 ## 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 ## 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 ## Starting information for simulation # 26 ## Starting information for simulation # 27 108 27 8536 1 2.88 2.2061 11.972 ## Starting information for simulation # 28 ## Starting information for simulation # 29 108 29 6433 1 2.91 2.9485 12.140 108 29 6434 1 2.74 2.4372 12.030 108 29 6436 1 2.92 2.0663 12.463 108 29 6448 1 2.80 2.6562 12.513 108 29 6451 1 2.71 2.6751 12.138 108 29 6475 1 2.79 2.7905 12.117 108 29 6482 1 2.65 2.8530 11.673 108 29 6483 1 2.80 2.7834 12.125 108 29 6494 1 2.70 2.5969 12.781 108 29 6500 1 2.88 1.8281 12.197 ## Starting information for simulation # 30 ## Starting information for simulation # 31 ## Starting information for simulation # 32 108 32 80 1 2.88 2.9030 10.933 108 32 81 1 2.82 2.8486 10.903 108 32 136 1 2.63 2.9810 9.701 108 32 701 1 2.90 2.9651 11.456 108 32 717 1 2.78 2.7120 11.073 108 32 794 1 3.00 2.1223 10.711 108 32 796 1 2.87 2.6017 11.699 108 32 852 1 2.64 2.8553 11.596 108 32 853 1 2.89 2.4920 11.236 108 32 854 1 2.88 2.7070 11.390 108 32 949 1 2.92 3.0186 11.559 108 32 950 1 2.96 2.7037 10.737 108 32 957 1 2.88 2.7454 10.575 108 32 1432 1 2.71 3.0041 11.307 108 32 1433 1 2.84 2.9560 10.938 108 32 1434 1 2.82 3.0494 11.262 108 32 1676 1 2.75 2.8860 8.948 108 32 1677 1 2.96 2.9263 8.851 108 32 2480 1 2.69 2.8488 9.174 108 32 3188 1 2.94 2.5205 10.917 108 32 3199 1 2.79 2.7597 9.037 108 32 3202 1 2.68 2.9371 9.728 ## Starting information for simulation # 33 ## Starting information for simulation # 34 ## Starting information for simulation # 35 108 35 6229 1 2.81 2.7479 12.408 108 35 6230 1 2.83 2.5416 12.219 ## Starting information for simulation # 36 108 36 5 1 2.91 2.9556 11.049 108 36 33 1 2.86 2.8247 11.157 108 36 99 1 2.74 2.9077 10.609 108 36 100 1 2.74 2.9284 11.121 108 36 101 1 2.77 2.7765 10.986 108 36 1451 1 2.75 2.7040 8.964 108 36 2079 1 2.93 2.8879 9.538 108 36 2080 1 2.64 2.9482 9.758 108 36 2313 1 2.95 1.9723 9.965 108 36 2595 1 2.93 2.5783 9.734 108 36 3504 1 2.63 2.6756 11.184 108 36 3506 1 2.65 2.9769 11.051 108 36 3638 1 2.73 2.4829 9.056 108 36 3642 1 2.77 2.4420 8.560 108 36 3643 1 2.78 2.2609 8.826 108 36 3644 1 2.95 1.8432 9.186 108 36 3666 1 2.80 2.8807 8.855 108 36 3667 1 2.76 2.5238 8.826 108 36 3668 1 2.85 2.7228 8.776 108 36 3669 1 2.80 2.1666 9.056 108 36 3787 1 2.93 2.5178 8.866 108 36 3811 1 2.76 2.7708 9.062 108 36 4099 1 2.66 2.7340 9.946 108 36 5557 1 2.78 2.8618 10.354 108 36 5559 1 2.55 2.8799 10.971 108 36 5560 1 2.97 2.6922 9.559 108 36 5566 1 2.94 2.6313 9.907 108 36 5573 1 2.96 3.1043 10.068 108 36 5659 1 2.71 2.4818 9.852 108 36 5661 1 2.72 2.9459 10.124 108 36 5663 1 2.87 2.6795 10.428 108 36 5664 1 2.75 2.8736 10.641 108 36 5665 1 2.73 2.6018 10.152 108 36 5669 1 2.79 2.7726 10.629 108 36 5670 1 2.65 2.8319 10.471 108 36 5671 1 2.63 2.9264 10.791 108 36 5672 1 2.70 2.9527 10.025 108 36 5673 1 2.79 2.3365 10.140 108 36 5674 1 2.70 2.5447 10.355 108 36 5675 1 2.95 2.3802 9.674 108 36 5676 1 2.85 2.5902 10.004 108 36 5677 1 2.77 2.5255 10.686 108 36 5678 1 2.78 2.4215 9.852 108 36 5679 1 2.77 2.7734 9.510 108 36 5680 1 2.64 2.9339 9.490 108 36 5681 1 2.65 2.8737 9.565 108 36 5683 1 2.75 2.4122 9.534 108 36 5692 1 2.67 2.0048 9.721 108 36 5693 1 2.67 2.4681 9.662 108 36 5694 1 2.99 2.0967 9.713 108 36 5703 1 2.71 2.7849 10.645 108 36 5704 1 2.76 2.8093 10.009 108 36 5705 1 2.91 2.3284 11.047 108 36 5709 1 2.96 2.9939 10.108 108 36 5743 1 2.73 1.9073 11.048 108 36 5817 1 2.91 2.1107 9.425 108 36 5830 1 2.89 2.6963 9.769 108 36 5834 1 2.86 2.5258 9.221 108 36 6039 1 2.81 2.8207 9.683 108 36 6057 1 2.92 3.0615 10.890 108 36 6058 1 2.82 2.9420 10.239 108 36 6059 1 2.90 2.9665 10.784 108 36 6062 1 2.69 2.7366 10.046 108 36 6064 1 2.97 2.2111 10.531