# Bonding information for index 254 -- 0MA_14@O2 0MA_13@H3O 0MA_13@O3 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 254 1 947 1 2.94 2.8490 9.108 254 1 3107 1 2.70 2.8911 9.449 254 1 3108 1 2.76 2.2403 9.152 254 1 3109 1 2.57 2.8920 9.111 254 1 3246 1 2.80 2.6093 8.141 254 1 3247 1 2.71 2.9597 7.947 254 1 3329 1 2.75 2.8672 8.708 254 1 3546 1 2.98 2.5778 8.698 254 1 3613 1 2.82 2.2618 8.878 254 1 3614 1 2.92 2.6260 9.287 254 1 3616 1 2.76 2.5990 9.036 254 1 3631 1 2.77 2.6005 8.558 254 1 3632 1 2.87 2.4645 8.844 254 1 3876 1 2.80 2.4070 8.954 254 1 3879 1 2.69 2.7448 8.891 254 1 3896 1 2.78 2.4767 8.859 254 1 3898 1 2.72 2.5085 8.879 254 1 3899 1 2.98 1.8745 9.188 254 1 5296 1 2.75 3.0139 6.908 254 1 5297 1 2.93 2.9070 6.906 254 1 5298 1 2.68 2.6981 6.350 254 1 5350 1 2.82 2.6826 6.764 254 1 6445 1 2.73 2.9011 7.843 254 1 6600 1 2.72 2.9338 8.715 254 1 6601 1 2.66 3.0438 8.495 254 1 6602 1 2.80 2.5487 8.582 254 1 6604 1 2.82 2.8111 8.686 254 1 6605 1 2.76 2.7608 8.945 254 1 8501 1 2.75 2.6253 7.773 254 1 9340 1 2.84 2.5930 8.205 ## Starting information for simulation # 2 ## Starting information for simulation # 3 254 3 799 1 2.91 2.8099 12.103 254 3 1105 1 2.72 2.9834 11.647 254 3 1116 1 2.69 2.7829 11.296 254 3 1117 1 2.84 2.6852 11.386 254 3 1587 1 2.87 2.9090 12.095 254 3 4273 1 2.82 2.6356 11.224 254 3 4886 1 2.81 2.8847 13.207 254 3 4887 1 2.63 2.9863 12.441 254 3 4955 1 2.96 2.9901 12.773 254 3 4956 1 2.86 3.0234 12.401 254 3 4958 1 2.84 2.7741 12.515 254 3 4961 1 2.78 2.9050 13.127 254 3 4963 1 2.99 3.0133 12.661 254 3 4964 1 2.88 2.4936 12.655 254 3 4965 1 2.62 2.7493 12.908 254 3 4966 1 2.70 2.8182 12.747 254 3 4967 1 2.63 3.0563 12.333 254 3 4968 1 2.81 2.8862 12.611 254 3 4969 1 2.86 2.8868 12.587 254 3 4971 1 2.79 2.8739 12.852 254 3 4973 1 2.88 3.0516 12.624 254 3 4974 1 2.56 2.8769 12.710 254 3 4975 1 2.81 2.7995 12.999 254 3 4976 1 2.76 2.7507 12.559 254 3 4977 1 2.70 2.5789 12.720 254 3 4978 1 2.71 2.8728 12.693 254 3 4979 1 2.67 2.7863 12.763 254 3 4980 1 2.63 2.7796 12.950 254 3 4981 1 2.72 2.7297 13.006 254 3 4982 1 2.78 2.8393 13.070 254 3 4983 1 2.92 2.9230 12.652 254 3 4984 1 2.73 2.9452 12.642 254 3 4985 1 2.83 2.7568 12.351 254 3 4986 1 2.84 2.4856 12.588 254 3 4999 1 2.93 2.7117 12.769 254 3 5008 1 2.68 2.9353 12.887 254 3 5019 1 2.85 2.8753 13.214 254 3 5030 1 2.80 2.0114 12.826 254 3 5034 1 2.79 2.4244 12.678 254 3 5037 1 2.90 2.0789 13.040 254 3 5040 1 2.73 1.8585 12.666 254 3 5044 1 2.74 2.8755 12.862 254 3 5052 1 2.82 2.9213 13.318 254 3 5066 1 2.72 2.9707 12.265 254 3 5067 1 2.88 2.7924 12.793 254 3 5068 1 2.76 2.8940 12.901 254 3 5070 1 2.83 2.6378 12.846 254 3 5071 1 2.62 2.9583 12.729 254 3 5072 1 2.59 2.5858 12.527 254 3 5073 1 2.85 2.5555 12.923 254 3 5075 1 2.75 2.5400 12.590 254 3 5076 1 2.73 2.7017 12.903 254 3 5078 1 2.85 2.6560 13.096 254 3 5079 1 2.90 3.1255 13.517 254 3 6629 1 2.70 2.8945 10.205 254 3 6639 1 2.70 2.7725 9.831 254 3 6825 1 2.83 2.8476 10.571 254 3 7280 1 2.66 2.7947 11.258 254 3 8147 1 2.97 1.7691 10.255 ## Starting information for simulation # 4 ## Starting information for simulation # 5 254 5 174 1 2.72 2.6346 10.377 254 5 449 1 2.81 2.7519 10.702 254 5 500 1 2.87 2.3545 11.272 254 5 510 1 2.73 2.8339 11.763 254 5 515 1 2.67 2.9790 12.229 ## Starting information for simulation # 6 ## Starting information for simulation # 7 ## Starting information for simulation # 8 254 8 849 1 2.63 2.9306 10.381 254 8 4921 1 2.76 2.7493 10.107 254 8 6704 1 2.70 2.7181 10.011 254 8 6706 1 2.75 2.5760 9.671 254 8 6707 1 2.94 2.7979 9.512 254 8 6710 1 2.84 3.0610 10.328 254 8 6711 1 2.63 2.8199 10.335 254 8 6713 1 2.92 2.7649 9.738 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 ## Starting information for simulation # 12 254 12 3812 1 2.65 2.8917 6.400 254 12 3813 1 2.66 3.0325 6.155 254 12 3888 1 2.79 3.0229 6.491 254 12 4983 1 2.95 2.2591 6.481 ## Starting information for simulation # 13 ## Starting information for simulation # 14 254 14 388 1 2.85 3.0637 10.674 254 14 389 1 2.82 2.9117 10.125 254 14 414 1 2.88 2.9672 9.071 254 14 421 1 2.97 2.8746 10.181 254 14 450 1 2.82 2.7812 8.610 254 14 457 1 2.76 2.8294 9.950 254 14 468 1 2.82 2.9887 8.824 254 14 4203 1 2.85 2.6682 9.814 254 14 4276 1 2.84 2.8872 8.310 254 14 4277 1 2.94 3.0799 8.898 254 14 4279 1 2.96 2.5333 8.805 254 14 4280 1 2.73 2.8719 9.206 254 14 4281 1 2.62 2.9212 8.876 254 14 4282 1 2.82 2.5878 8.589 254 14 4283 1 2.87 2.5804 8.759 254 14 4284 1 2.83 2.8254 9.844 254 14 4285 1 2.86 2.9532 9.467 254 14 4367 1 2.92 3.0364 10.452 254 14 4368 1 2.67 2.7151 10.631 254 14 4369 1 2.97 2.5278 10.748 ## Starting information for simulation # 15 254 15 7787 1 2.89 2.0902 11.463 254 15 7788 1 2.72 2.6983 11.863 254 15 7789 1 2.89 2.6238 12.160 254 15 7790 1 2.60 2.7428 12.130 254 15 8194 1 2.62 2.9088 11.929 254 15 8195 1 2.66 3.0433 11.071 254 15 8196 1 2.65 2.8876 11.278 254 15 8213 1 2.80 2.7161 11.980 254 15 8214 1 2.99 1.9881 11.622 ## Starting information for simulation # 16 ## Starting information for simulation # 17 254 17 296 1 2.96 1.8984 13.503 254 17 684 1 2.95 2.3194 13.163 254 17 685 1 2.66 3.0124 12.642 254 17 703 1 2.98 1.8369 11.554 254 17 722 1 2.98 2.4967 10.830 254 17 760 1 2.81 2.9789 13.976 254 17 1388 1 2.93 2.7711 12.915 254 17 1589 1 2.75 2.2646 13.541 254 17 1610 1 2.77 2.7771 13.086 254 17 1611 1 2.63 3.0130 12.904 254 17 1612 1 2.74 2.6314 13.595 254 17 1613 1 2.81 2.9078 12.913 254 17 1817 1 2.91 2.9471 12.974 254 17 1823 1 2.84 2.7091 13.519 254 17 2066 1 2.94 2.8097 13.698 254 17 2067 1 2.76 2.5900 13.901 254 17 3789 1 2.94 2.4586 10.210 254 17 3791 1 2.78 2.6716 11.226 254 17 3792 1 2.84 2.8967 11.330 254 17 3793 1 2.66 2.6773 11.407 254 17 3794 1 2.97 3.0521 11.153 254 17 3795 1 2.64 2.6187 11.818 254 17 3796 1 2.83 2.9236 11.690 254 17 3797 1 2.66 2.9792 11.491 254 17 3798 1 2.80 2.7638 10.958 254 17 3799 1 2.86 2.9652 11.457 254 17 3801 1 2.81 2.7595 11.179 254 17 7541 1 2.63 2.9888 12.331 254 17 7542 1 2.70 2.9897 11.702 254 17 7543 1 2.53 3.0776 12.103 254 17 7544 1 2.84 1.9257 12.857 254 17 7552 1 2.73 3.0088 12.070 254 17 7554 1 2.91 2.5159 12.090 254 17 7555 1 2.64 2.6697 12.346 254 17 7556 1 2.55 2.8047 12.203 254 17 7557 1 2.94 2.6378 12.411 254 17 7559 1 2.63 3.0368 12.700 ## Starting information for simulation # 18 ## Starting information for simulation # 19 ## Starting information for simulation # 20 254 20 6539 1 2.67 2.8519 10.079 254 20 6541 1 2.75 2.8337 10.273 254 20 8694 1 2.80 2.4604 9.233 254 20 9891 1 2.67 3.0606 9.538 254 20 9892 1 2.96 2.5418 9.358 254 20 9893 1 2.68 2.8525 9.156 254 20 9922 1 2.91 2.4718 9.410 ## Starting information for simulation # 21 ## Starting information for simulation # 22 ## Starting information for simulation # 23 254 23 9865 1 2.93 2.6701 9.038 254 23 9870 1 2.66 2.9115 8.135 254 23 9871 1 2.93 3.0025 8.431 254 23 9872 1 2.69 2.9792 8.823 254 23 9873 1 2.61 2.9438 8.669 254 23 9874 1 2.78 2.6305 9.189 254 23 9876 1 2.75 2.8840 9.011 254 23 9877 1 2.65 3.0000 9.248 254 23 9878 1 2.84 2.5484 8.893 254 23 9879 1 2.67 2.7181 8.830 254 23 9880 1 2.88 2.6300 8.246 254 23 9892 1 2.84 2.7449 8.672 254 23 9893 1 2.95 2.9979 8.053 254 23 9906 1 2.99 2.7054 8.119 254 23 9907 1 2.72 2.9848 8.648 254 23 9908 1 2.70 2.7098 8.276 254 23 9909 1 2.97 2.7944 8.445 254 23 9910 1 2.62 2.9234 8.216 254 23 9911 1 2.81 2.6771 8.602 254 23 9912 1 2.69 3.0259 8.443 254 23 9913 1 2.80 3.1224 8.859 254 23 9914 1 2.87 2.9507 8.938 254 23 9915 1 2.62 2.8930 8.856 254 23 9916 1 2.76 2.7361 8.534 254 23 9917 1 2.72 2.9524 8.845 254 23 9918 1 2.78 2.5693 8.949 254 23 9919 1 2.68 2.8232 8.315 254 23 9920 1 2.67 2.9181 8.552 254 23 9921 1 2.67 2.9113 8.784 254 23 9922 1 2.74 2.6925 9.018 254 23 9923 1 2.76 2.6057 8.517 254 23 9924 1 2.82 2.5367 8.298 254 23 9925 1 2.70 2.6822 8.586 254 23 9926 1 2.93 2.6085 8.275 254 23 9927 1 2.61 3.0282 7.977 254 23 9928 1 2.75 2.9194 8.032 254 23 9929 1 2.69 2.9994 8.678 254 23 9930 1 2.69 2.9028 8.692 ## Starting information for simulation # 24 ## Starting information for simulation # 25 254 25 9076 1 2.91 2.5366 12.014 254 25 9077 1 2.95 2.9160 12.041 254 25 9079 1 2.77 3.0915 11.576 254 25 9080 1 2.67 2.6245 12.259 254 25 9084 1 2.91 2.5876 11.446 254 25 9085 1 2.67 2.8565 11.576 254 25 9086 1 2.98 2.8914 11.578 254 25 9087 1 2.66 2.5600 11.912 254 25 9088 1 2.72 2.8703 12.124 254 25 9090 1 2.72 2.7808 11.941 254 25 9091 1 2.79 2.7699 11.769 254 25 9093 1 2.68 2.8054 12.186 254 25 9094 1 2.59 2.8389 12.043 254 25 9095 1 2.62 2.9604 11.878 254 25 9096 1 2.87 3.0382 11.742 254 25 9112 1 2.90 3.0063 12.913 254 25 9113 1 2.62 2.8328 13.175 254 25 9155 1 2.98 2.4061 12.650 254 25 9156 1 2.73 3.0771 12.240 254 25 9157 1 2.68 3.0183 12.251 254 25 9158 1 2.58 3.0843 12.162 254 25 9159 1 2.69 2.9867 12.049 ## Starting information for simulation # 26 ## Starting information for simulation # 27 ## Starting information for simulation # 28 254 28 7485 1 2.87 2.9593 9.900 254 28 7489 1 2.83 2.2226 10.195 254 28 7496 1 2.79 2.7788 10.564 254 28 7552 1 2.79 2.8126 9.962 254 28 7559 1 2.85 2.5102 9.796 254 28 7598 1 2.99 2.1445 9.852 254 28 7608 1 2.85 2.3302 9.994 254 28 7614 1 2.78 2.8133 9.794 254 28 9067 1 2.86 2.9961 11.362 254 28 9068 1 2.89 2.4505 11.720 254 28 9069 1 2.73 3.0342 11.535 254 28 9076 1 2.86 2.0561 11.492 254 28 9394 1 2.81 2.8129 12.055 254 28 9401 1 2.74 3.0336 11.992 254 28 9402 1 2.72 2.9318 12.217 254 28 9405 1 2.99 2.8611 12.947 254 28 9406 1 2.73 2.8178 12.672 254 28 9407 1 2.93 2.4374 12.106 254 28 9409 1 2.72 2.8474 12.902 254 28 9426 1 2.93 2.1462 11.619 254 28 9463 1 2.70 2.9236 10.984 ## Starting information for simulation # 29 254 29 2149 1 2.89 2.9130 11.757 254 29 2153 1 2.81 2.6478 11.553 254 29 2155 1 2.91 2.7896 12.021 254 29 2179 1 2.62 3.1040 11.489 254 29 2180 1 2.77 2.7633 11.806 254 29 2181 1 2.72 2.9049 11.794 254 29 2188 1 2.74 2.9686 11.274 254 29 2189 1 2.72 2.9814 11.961 254 29 2190 1 2.66 3.1008 12.013 254 29 2191 1 2.81 2.9948 11.771 254 29 6458 1 2.83 2.3577 12.659 254 29 6468 1 2.84 3.0056 13.163 254 29 6469 1 2.88 2.7645 12.240 254 29 6470 1 2.79 3.0396 11.912 254 29 6471 1 2.67 2.8433 11.811 254 29 6472 1 2.78 2.8382 12.655 254 29 6473 1 2.80 2.8767 12.038 254 29 6474 1 2.93 2.9501 12.292 254 29 6475 1 2.72 2.7650 12.117 254 29 6509 1 2.87 2.8982 13.540 254 29 6529 1 2.90 2.1650 12.103 254 29 6552 1 2.93 2.7858 12.568 254 29 6554 1 2.92 2.9462 12.244 254 29 7849 1 2.84 2.7740 12.172 ## Starting information for simulation # 30 ## Starting information for simulation # 31 254 31 2845 1 3.00 3.0988 10.529 254 31 2846 1 2.99 2.9057 10.241 254 31 2847 1 2.86 2.8874 10.747 254 31 2848 1 2.92 2.7193 10.762 254 31 4624 1 2.84 2.4767 10.004 254 31 4654 1 2.94 2.2497 9.707 254 31 4655 1 2.83 2.6131 10.109 254 31 4788 1 2.92 2.6668 10.234 254 31 5013 1 2.74 3.0075 10.966 254 31 5019 1 2.91 2.7144 10.771 254 31 5021 1 2.91 2.5582 10.700 254 31 5053 1 2.78 2.8760 10.647 254 31 5400 1 2.77 2.9070 9.834 254 31 5401 1 2.84 2.7999 10.243 254 31 5408 1 2.89 2.6674 9.617 254 31 5410 1 2.74 3.0714 10.490 254 31 5411 1 2.59 2.8420 9.732 254 31 5419 1 2.79 2.7300 9.976 254 31 5442 1 2.86 2.8544 9.546 254 31 5471 1 2.83 2.9503 11.566 254 31 5472 1 2.60 2.6829 11.305 ## Starting information for simulation # 32 ## Starting information for simulation # 33 ## Starting information for simulation # 34 254 34 3166 1 2.94 2.6720 9.684 254 34 3176 1 2.98 2.9852 9.511 254 34 3177 1 2.86 2.5644 9.403 254 34 3178 1 2.74 2.9730 9.529 254 34 3179 1 2.89 2.9657 10.099 254 34 3181 1 2.92 2.9469 9.280 254 34 3185 1 2.67 3.0640 9.920 254 34 3187 1 2.63 2.6473 8.852 254 34 3190 1 2.88 2.9878 8.746 254 34 3191 1 2.98 2.9232 9.605 254 34 3194 1 2.91 3.0186 9.137 254 34 3195 1 2.89 2.7166 9.654 254 34 3196 1 2.83 2.8440 9.381 254 34 3197 1 2.59 2.8215 9.135 254 34 3199 1 2.94 2.7266 9.022 254 34 3200 1 2.79 2.6670 8.878 254 34 3201 1 2.92 2.9583 8.500 254 34 3202 1 2.77 2.9422 8.707 254 34 3203 1 2.65 2.5979 9.088 254 34 3204 1 2.76 2.8801 9.208 254 34 3205 1 2.80 2.5578 9.526 254 34 3206 1 2.85 2.5563 9.708 254 34 3207 1 2.74 2.9814 9.276 254 34 3208 1 2.69 2.9405 10.455 254 34 4427 1 2.89 2.7959 13.008 254 34 4437 1 2.80 2.9109 13.429 254 34 4446 1 2.82 2.7080 12.163 254 34 4447 1 2.64 2.9950 12.658 254 34 4448 1 2.74 2.8287 12.634 254 34 4450 1 2.77 2.9497 12.239 254 34 4451 1 2.86 2.9112 11.825 254 34 4452 1 2.59 2.5994 11.948 254 34 4453 1 2.75 2.1614 12.982 254 34 4454 1 2.73 2.9821 13.129 254 34 4455 1 2.73 3.0523 12.856 254 34 4458 1 2.77 3.0113 13.181 254 34 4460 1 2.81 2.7125 12.106 254 34 4461 1 2.71 3.0633 12.059 254 34 4462 1 2.74 2.8118 12.641 254 34 4463 1 2.77 2.9635 12.638 254 34 4481 1 2.82 2.3768 13.019 254 34 4482 1 2.79 2.5476 13.244 254 34 4503 1 2.82 2.4320 12.413 254 34 4504 1 2.76 3.0248 12.479 ## Starting information for simulation # 35 254 35 7373 1 2.74 2.6231 12.225 254 35 7374 1 2.83 2.7351 11.751 254 35 7375 1 2.73 2.8465 12.189 254 35 7377 1 2.82 2.7915 12.478 254 35 7378 1 2.93 2.7807 12.702 254 35 7385 1 2.75 2.9659 11.345 254 35 7386 1 2.77 2.5259 11.599 254 35 7401 1 2.98 1.7683 11.928 254 35 7402 1 2.64 2.4617 11.949 254 35 7403 1 2.76 3.0732 11.991 254 35 7405 1 2.89 2.6179 11.127 254 35 7406 1 2.96 2.4069 11.596 254 35 7478 1 2.67 2.9837 12.544 254 35 7479 1 2.81 2.9594 12.892 254 35 7829 1 2.91 2.8597 11.287 254 35 7832 1 2.67 3.0582 11.885 254 35 8170 1 2.81 2.4700 11.628 254 35 8316 1 2.81 3.0438 12.211 254 35 8331 1 2.99 1.9768 12.945 254 35 8784 1 2.81 2.7104 13.298 254 35 8785 1 2.62 2.7719 13.084 254 35 8786 1 2.75 3.0643 12.854 254 35 8787 1 2.80 2.8328 13.073 254 35 8788 1 2.85 2.9657 12.786 254 35 8789 1 2.75 2.8079 12.996 254 35 8790 1 2.79 2.9748 13.007 254 35 8791 1 2.86 3.0122 13.031 254 35 8792 1 2.91 3.1023 12.612 254 35 8793 1 2.70 2.5270 12.759 254 35 8972 1 2.93 2.7602 12.881 254 35 8975 1 2.88 2.7765 13.026 254 35 8976 1 2.80 2.7932 13.558 254 35 9286 1 2.61 2.8533 12.828 254 35 9287 1 2.84 2.8361 12.877 254 35 9288 1 2.70 3.0696 13.074 254 35 9289 1 2.81 2.8215 12.658 254 35 9290 1 2.76 2.5629 13.167 254 35 9291 1 2.64 2.7005 12.562 254 35 9292 1 2.77 3.0050 12.558 254 35 9293 1 2.59 3.0236 12.234 254 35 9294 1 2.95 2.8343 12.437 254 35 9295 1 2.74 2.4367 12.605 254 35 9296 1 2.85 2.9367 12.248 254 35 9666 1 2.94 2.5197 11.635 254 35 9667 1 2.74 3.1064 12.452 254 35 9668 1 2.71 2.8177 11.556 254 35 10113 1 2.80 2.5393 11.458 ## Starting information for simulation # 36 254 36 6593 1 2.83 2.4657 10.474 254 36 6870 1 2.98 2.4775 9.828 254 36 6871 1 2.78 2.5908 10.165 254 36 6872 1 2.72 2.4675 10.100