# Bonding information for index 124 -- 0MA_13@O2 0MA_12@H3O 0MA_12@O3 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 ## Starting information for simulation # 3 124 3 3747 1 2.95 2.7005 11.050 124 3 6271 1 2.78 2.3915 10.511 124 3 8287 1 2.86 2.3000 6.628 124 3 9138 1 2.78 2.3354 9.928 124 3 9149 1 2.81 2.3291 10.188 124 3 9265 1 2.94 2.6987 9.831 ## Starting information for simulation # 4 124 4 554 1 2.70 2.5724 13.377 124 4 555 1 2.89 2.9707 13.172 124 4 562 1 2.90 2.5374 13.269 124 4 571 1 2.84 2.9069 13.538 124 4 572 1 2.78 2.9269 13.337 ## Starting information for simulation # 5 124 5 6555 1 2.66 3.0640 11.424 124 5 8088 1 2.67 2.7480 11.579 ## Starting information for simulation # 6 124 6 7561 1 2.74 3.0296 8.091 124 6 7562 1 2.70 2.5405 7.977 ## Starting information for simulation # 7 124 7 2240 1 2.79 2.7533 8.980 124 7 2241 1 2.74 2.9564 9.173 124 7 2242 1 2.80 2.6129 9.155 124 7 2243 1 2.81 2.9119 10.124 124 7 3285 1 2.90 2.9180 11.825 124 7 3291 1 2.87 2.4646 12.134 124 7 3292 1 2.67 2.7225 11.668 124 7 3952 1 2.70 2.7910 12.565 124 7 7077 1 2.77 2.9018 10.961 124 7 7082 1 2.68 3.0256 10.648 ## 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 # 15 124 15 6419 1 2.81 3.1056 12.370 124 15 6420 1 2.94 2.7081 12.819 124 15 6807 1 2.95 2.6801 11.992 124 15 6809 1 2.77 2.8307 12.212 124 15 6833 1 2.95 1.8165 11.881 124 15 7015 1 2.88 2.6419 11.636 124 15 7016 1 2.77 2.9245 11.237 124 15 7017 1 2.98 2.5049 11.296 124 15 7018 1 2.88 2.8502 11.080 124 15 7019 1 2.65 2.7941 10.630 124 15 7020 1 2.64 2.7950 10.285 124 15 7021 1 2.89 2.6563 10.430 124 15 7022 1 2.80 2.7674 10.665 124 15 8625 1 2.81 2.9720 12.184 124 15 8626 1 2.81 2.9704 11.670 124 15 8628 1 2.63 2.9433 11.513 124 15 8629 1 2.93 2.5776 11.838 124 15 8641 1 2.89 2.5886 12.008 124 15 8889 1 2.99 2.3034 10.605 124 15 8892 1 2.67 2.9242 9.343 124 15 8893 1 2.83 2.8949 10.528 124 15 8894 1 2.81 2.8761 9.536 124 15 8895 1 2.57 2.9840 10.711 124 15 9146 1 2.80 2.5678 10.854 124 15 9155 1 2.79 2.8531 11.692 ## Starting information for simulation # 16 ## Starting information for simulation # 17 ## Starting information for simulation # 18 ## Starting information for simulation # 19 124 19 152 1 2.92 3.0785 12.768 124 19 156 1 2.63 2.1460 12.836 124 19 158 1 2.69 2.8990 12.463 124 19 159 1 2.96 2.4842 12.447 124 19 160 1 2.69 2.9415 12.391 124 19 161 1 2.69 2.8221 12.196 124 19 162 1 2.95 2.9342 12.409 124 19 163 1 2.87 3.0471 12.625 124 19 164 1 2.68 2.9865 12.147 124 19 165 1 2.82 2.9254 12.673 124 19 166 1 2.86 2.4001 12.813 124 19 167 1 2.69 2.6529 12.298 124 19 676 1 2.82 1.8081 11.069 124 19 1120 1 2.63 2.5160 9.543 124 19 1596 1 2.64 2.8107 10.433 124 19 1597 1 2.76 2.9947 10.173 124 19 1599 1 2.88 2.8792 10.270 124 19 1600 1 2.71 3.0073 10.202 124 19 2186 1 2.84 2.7972 12.738 124 19 3978 1 2.71 2.6063 13.034 124 19 3979 1 3.00 3.0277 13.007 124 19 3980 1 2.68 2.8822 12.980 124 19 3981 1 2.93 2.2427 12.983 124 19 3983 1 2.65 2.8157 12.516 124 19 3984 1 2.73 3.0153 12.693 124 19 3985 1 2.82 2.8478 13.286 124 19 3986 1 2.68 2.4541 13.125 124 19 3987 1 2.88 2.7429 13.484 124 19 3988 1 2.59 2.6054 12.912 124 19 3989 1 2.80 2.7840 12.738 124 19 3990 1 2.81 2.7691 12.768 124 19 3991 1 2.81 3.0662 12.734 124 19 3992 1 2.81 3.0456 12.427 124 19 3993 1 2.63 2.4297 12.570 124 19 3994 1 2.77 2.4985 13.143 124 19 3995 1 2.88 2.7015 12.230 124 19 3996 1 2.95 2.6962 12.399 124 19 3997 1 2.68 2.9684 12.552 124 19 3998 1 2.84 2.9287 12.719 124 19 3999 1 2.78 2.7015 12.774 124 19 4000 1 2.69 2.9178 13.138 124 19 4001 1 2.88 2.9050 12.809 124 19 4002 1 2.63 2.8828 12.719 124 19 4003 1 2.77 2.7042 12.834 124 19 4004 1 2.79 3.0917 12.184 124 19 4005 1 2.77 2.6892 12.771 124 19 4006 1 2.67 2.8662 12.918 124 19 4007 1 2.85 2.8235 13.015 124 19 4008 1 2.76 2.5721 13.057 124 19 4687 1 2.84 2.5004 13.665 124 19 4850 1 2.99 1.8652 12.153 124 19 4892 1 2.75 2.8960 12.387 124 19 5386 1 2.78 2.2700 11.013 124 19 5846 1 2.91 2.9287 12.707 124 19 5859 1 2.92 2.4838 12.908 124 19 5867 1 2.98 1.8841 12.591 124 19 5868 1 3.00 2.1938 12.631 124 19 5876 1 2.97 2.4918 12.775 124 19 6067 1 2.73 3.0109 8.816 124 19 8100 1 2.81 2.6747 11.442 124 19 8183 1 2.76 2.7277 11.374 124 19 8407 1 2.90 2.8652 12.832 124 19 8422 1 2.72 2.6701 12.051 124 19 8425 1 2.77 2.9018 12.827 124 19 8437 1 2.67 2.3934 12.673 124 19 8937 1 2.89 2.8660 10.661 ## Starting information for simulation # 20 ## Starting information for simulation # 21 ## Starting information for simulation # 22 ## Starting information for simulation # 23 124 23 72 1 2.78 2.1695 12.231 124 23 76 1 2.80 2.6754 12.435 124 23 77 1 2.62 2.9055 12.028 124 23 78 1 2.65 3.0930 12.311 124 23 79 1 2.93 2.6786 12.402 124 23 123 1 2.74 2.7273 12.167 124 23 124 1 2.84 2.5567 12.174 124 23 126 1 2.74 2.8593 12.045 124 23 163 1 2.77 2.6028 11.630 124 23 165 1 2.92 2.7496 11.950 124 23 166 1 2.68 2.8927 11.423 124 23 167 1 2.76 3.0004 11.833 124 23 168 1 2.75 2.8474 11.447 124 23 169 1 2.89 2.6859 11.610 124 23 172 1 2.82 2.7788 11.793 124 23 173 1 2.84 2.7791 11.166 124 23 175 1 2.92 2.0100 11.173 124 23 180 1 2.77 2.7367 11.503 124 23 199 1 2.69 2.8291 11.334 124 23 200 1 2.75 2.8842 11.047 124 23 232 1 2.72 2.7399 11.802 124 23 234 1 2.84 2.2565 11.407 124 23 236 1 2.87 2.7683 11.450 124 23 239 1 2.71 2.7062 10.350 124 23 249 1 2.79 2.8475 11.102 124 23 251 1 2.97 2.6197 10.714 124 23 252 1 2.56 2.8598 11.444 124 23 253 1 2.71 2.8330 11.219 124 23 254 1 2.92 2.7119 11.192 124 23 255 1 2.76 2.7252 10.817 124 23 256 1 2.82 2.5889 10.476 124 23 259 1 2.60 2.8183 11.155 124 23 261 1 2.87 2.6016 10.822 124 23 276 1 2.85 2.9061 10.431 124 23 278 1 2.79 2.8237 10.366 124 23 279 1 2.90 2.5505 11.101 124 23 280 1 2.76 2.8523 10.721 124 23 281 1 2.88 2.4571 11.435 124 23 282 1 2.81 3.0140 10.887 124 23 283 1 2.95 2.6034 10.592 124 23 285 1 2.90 2.8444 10.589 124 23 287 1 2.86 2.0491 10.711 124 23 290 1 2.86 2.9736 11.000 124 23 297 1 2.61 2.9821 10.614 124 23 298 1 2.78 2.9583 11.309 124 23 299 1 2.68 2.9880 11.038 124 23 300 1 2.91 2.7067 10.718 124 23 302 1 2.81 3.0660 10.762 124 23 303 1 2.62 2.5909 10.489 124 23 307 1 2.99 2.9013 11.277 124 23 308 1 2.87 2.9780 11.733 124 23 311 1 2.97 2.6349 11.843 124 23 312 1 2.78 2.7698 11.588 124 23 368 1 2.64 2.7049 10.420 124 23 369 1 2.71 2.9834 10.841 124 23 371 1 2.90 3.0726 10.897 124 23 372 1 2.71 2.9259 11.480 124 23 3456 1 2.86 3.0428 12.491 124 23 3457 1 2.96 1.7669 11.886 124 23 3768 1 2.85 3.0811 11.912 124 23 3818 1 2.66 2.8448 11.846 124 23 3846 1 2.85 2.7938 10.924 124 23 3847 1 2.71 2.5857 12.278 124 23 4464 1 2.94 2.5732 11.003 124 23 4466 1 2.76 2.9168 10.235 124 23 4467 1 2.83 2.6544 10.558 124 23 4469 1 2.61 2.9966 10.203 124 23 4476 1 2.80 3.0703 10.309 124 23 4477 1 2.95 2.9729 10.619 124 23 4478 1 2.68 2.9358 10.820 124 23 4479 1 2.91 2.6444 10.331 124 23 4481 1 2.70 2.8753 9.610 124 23 4485 1 2.91 2.8578 10.558 124 23 4486 1 2.73 3.0173 9.841 124 23 4497 1 2.73 2.8788 8.732 124 23 4498 1 2.77 2.9132 9.055 124 23 4499 1 2.85 3.0108 8.980 124 23 4502 1 2.77 2.7298 8.311 124 23 4506 1 2.91 2.8960 9.709 124 23 4507 1 2.78 2.8283 8.718 124 23 4508 1 2.71 2.9839 8.785 124 23 4510 1 2.61 3.0523 8.854 124 23 4511 1 2.81 2.9800 9.154 124 23 4515 1 2.81 2.8231 8.985 124 23 4536 1 2.93 2.4599 11.023 124 23 4541 1 2.88 2.3530 10.363 124 23 4546 1 2.82 2.8026 10.576 124 23 4547 1 2.70 3.0282 9.173 124 23 4548 1 2.79 2.9759 9.686 124 23 4551 1 2.77 2.5689 9.792 124 23 4552 1 2.73 2.7624 10.413 124 23 4571 1 2.71 2.8945 10.263 124 23 4577 1 2.93 2.9946 10.287 124 23 4591 1 2.85 2.4462 10.771 124 23 4593 1 2.76 2.8082 10.252 124 23 4594 1 2.94 2.8227 10.202 124 23 4652 1 2.79 2.9670 9.646 124 23 4654 1 2.93 2.8162 10.385 124 23 4655 1 2.60 3.0018 9.832 124 23 4656 1 2.89 2.4536 10.240 124 23 4657 1 2.97 2.6802 10.405 124 23 4658 1 2.83 2.7678 10.250 124 23 4659 1 2.65 2.7571 10.474 124 23 4660 1 2.95 2.8829 10.818 124 23 4662 1 2.62 2.8993 10.874 124 23 4663 1 2.91 2.9755 10.375 124 23 4664 1 2.74 3.0942 10.378 124 23 4665 1 2.70 2.9711 10.418 124 23 4666 1 2.85 2.3670 10.459 124 23 4667 1 2.90 2.6972 10.726 ## 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 # 30 124 30 4117 1 2.83 2.9126 11.061 124 30 4126 1 2.82 2.9786 11.745 124 30 4127 1 2.61 2.7700 11.978 124 30 4128 1 2.96 2.7484 11.889 124 30 4129 1 2.71 2.7218 11.214 124 30 4130 1 2.87 2.9913 11.560 124 30 4131 1 2.99 2.4875 11.788 124 30 4132 1 2.97 2.7877 11.998 124 30 4134 1 2.78 2.6568 11.882 124 30 4135 1 2.69 2.6523 12.375 124 30 4136 1 2.79 2.9773 12.805 124 30 4138 1 2.83 2.6846 11.938 124 30 4139 1 2.67 2.5329 12.126 124 30 4140 1 2.79 2.7399 11.634 124 30 4141 1 2.75 2.4007 12.272 124 30 4142 1 2.71 2.7473 11.798 124 30 4143 1 2.73 2.5122 11.698 124 30 4145 1 2.97 2.8187 11.291 124 30 4146 1 2.73 2.7806 11.499 124 30 4149 1 2.95 2.2160 12.609 124 30 4151 1 2.66 2.9247 12.381 124 30 4152 1 2.76 2.9546 13.097 124 30 4164 1 2.70 2.8334 12.622 124 30 4165 1 3.00 2.9243 12.543 124 30 4166 1 2.73 2.7617 12.148 124 30 4167 1 2.54 2.7250 12.646 124 30 4169 1 2.72 2.9757 11.742 124 30 4170 1 2.82 2.9365 12.175 124 30 4171 1 2.74 2.8167 11.350 124 30 4172 1 2.72 3.0720 10.970 124 30 4173 1 2.64 2.6893 10.940 124 30 4174 1 2.75 2.8220 10.953 124 30 4175 1 2.56 2.6908 11.687 124 30 4176 1 2.76 3.1245 11.972 124 30 4178 1 2.75 2.9537 12.406 124 30 4185 1 2.70 2.3891 12.506 124 30 4186 1 2.82 2.8451 12.308 124 30 4189 1 2.96 2.1658 12.620 124 30 4190 1 2.75 2.9774 12.772 124 30 4194 1 2.81 2.7083 12.706 124 30 4195 1 2.89 2.3753 12.509 124 30 4208 1 2.94 3.0150 12.525 124 30 4209 1 2.70 2.8950 12.713 ## Starting information for simulation # 31 124 31 9700 1 2.96 2.0858 13.189 124 31 9853 1 2.96 1.7628 13.355 124 31 9854 1 2.93 2.1079 13.313 124 31 9855 1 2.96 2.3032 13.120 124 31 9875 1 2.93 2.2039 12.855 124 31 9876 1 2.90 2.2300 12.945 ## Starting information for simulation # 32 ## Starting information for simulation # 33 124 33 841 1 2.75 2.9187 12.212 124 33 1201 1 2.74 1.7565 12.518 124 33 1291 1 2.92 2.2090 13.204 124 33 2356 1 2.96 3.0292 12.047 124 33 2357 1 2.85 2.5187 13.065 124 33 2359 1 2.84 2.7631 12.700 124 33 2360 1 2.79 2.8020 12.713 124 33 2694 1 2.79 2.8552 13.027 124 33 2790 1 2.93 2.9062 13.049 124 33 4458 1 2.82 2.9712 13.196 124 33 4586 1 2.96 2.3778 12.481 124 33 5020 1 3.00 3.0696 12.122 124 33 5021 1 2.81 2.8429 12.562 124 33 5447 1 2.74 3.0752 10.899 124 33 5450 1 2.91 2.6024 10.660 124 33 5451 1 2.76 2.5347 10.819 124 33 5571 1 2.93 1.9380 12.210 124 33 7890 1 2.89 2.8458 10.500 124 33 7893 1 2.70 2.8574 9.408 ## Starting information for simulation # 34 124 34 9114 1 2.60 3.0467 12.661 124 34 9373 1 2.89 2.7389 12.053 124 34 9379 1 2.86 2.0882 12.695 124 34 9382 1 2.98 2.6600 13.018 124 34 9383 1 2.66 2.7527 12.920 124 34 9384 1 2.89 2.9286 12.561 124 34 9386 1 2.64 2.7564 12.457 ## Starting information for simulation # 35 124 35 5 1 2.91 2.8685 12.605 ## Starting information for simulation # 36