# Bonding information for index 307 -- 0MA_14@O4 0MA_15@H2O 0MA_15@O2 # 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 ## Starting information for simulation # 7 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 307 11 4709 1 2.76 2.5163 11.977 307 11 4725 1 2.84 2.6545 10.863 307 11 4726 1 2.74 2.8705 11.349 307 11 4727 1 2.78 2.8002 11.648 307 11 4729 1 2.73 2.8379 12.230 307 11 4730 1 2.73 2.9932 11.813 307 11 4731 1 2.84 3.0162 11.129 307 11 5555 1 2.95 2.7514 11.042 307 11 5556 1 2.83 2.7599 11.043 307 11 5827 1 2.77 1.9790 10.767 307 11 7393 1 2.80 2.6348 12.404 307 11 7753 1 2.96 2.0525 13.238 307 11 7754 1 2.84 3.0381 13.123 307 11 7756 1 2.99 1.9959 13.263 307 11 7758 1 2.88 2.4960 12.889 307 11 7759 1 2.98 2.7401 13.126 307 11 7760 1 2.85 2.6487 13.308 307 11 7761 1 2.84 2.3164 13.038 307 11 9222 1 2.69 2.7470 11.006 307 11 9223 1 2.90 2.6352 11.604 ## Starting information for simulation # 12 307 12 9759 1 2.87 2.9136 6.245 307 12 9761 1 2.67 2.9436 6.314 307 12 9762 1 2.88 2.8078 6.407 307 12 9764 1 2.89 2.8265 5.875 307 12 9765 1 2.80 2.9060 6.125 307 12 9767 1 2.71 3.0206 6.121 307 12 9773 1 2.63 3.0473 5.739 307 12 9775 1 2.95 2.6149 6.431 307 12 9777 1 2.75 3.0591 6.184 307 12 9813 1 2.99 2.7427 6.825 307 12 9814 1 2.91 2.6559 6.240 307 12 9816 1 2.93 2.8410 6.384 307 12 9818 1 2.89 2.6894 6.478 307 12 9819 1 2.72 2.5953 6.560 307 12 9820 1 2.94 2.4108 6.214 307 12 9822 1 2.81 2.6549 5.849 307 12 9823 1 2.83 2.4239 6.505 307 12 9848 1 2.66 2.8942 5.702 307 12 9849 1 2.82 2.6332 6.007 307 12 9850 1 2.93 2.6449 5.877 307 12 9856 1 2.69 2.5952 6.342 307 12 9860 1 2.68 2.6837 6.396 307 12 9893 1 2.62 2.9096 6.286 307 12 9894 1 2.62 2.9769 6.311 307 12 9903 1 2.85 2.4646 6.757 307 12 9907 1 2.96 2.2536 6.491 307 12 9908 1 2.86 2.5882 6.532 307 12 9909 1 2.88 2.2380 6.023 307 12 9910 1 2.91 2.2290 6.465 307 12 9911 1 2.76 2.7036 6.496 307 12 9912 1 2.95 2.6481 6.613 307 12 9914 1 2.88 2.7626 6.539 307 12 9916 1 2.63 2.7587 6.304 307 12 9917 1 2.81 2.4278 6.310 ## Starting information for simulation # 13 ## Starting information for simulation # 14 ## Starting information for simulation # 15 307 15 1382 1 2.94 3.0244 8.504 307 15 2335 1 2.88 2.7301 9.804 307 15 2336 1 2.99 2.7830 9.456 307 15 2337 1 2.74 2.8709 9.752 307 15 2338 1 2.66 2.7953 9.650 307 15 2339 1 2.93 2.9233 9.834 307 15 2340 1 2.75 2.8582 10.218 307 15 2341 1 2.64 3.0019 10.280 307 15 2342 1 2.89 2.7301 10.253 307 15 2343 1 2.81 3.0794 9.607 307 15 2344 1 2.79 2.7648 9.537 307 15 2345 1 2.65 2.6038 9.894 307 15 2346 1 2.85 2.9072 9.832 307 15 2347 1 2.75 2.9087 10.005 307 15 2348 1 2.73 3.0847 10.669 307 15 2349 1 2.90 2.8432 10.331 307 15 2350 1 2.77 2.7535 10.786 307 15 2351 1 2.73 2.9525 10.543 307 15 2352 1 2.79 3.0440 10.634 307 15 2353 1 2.74 2.9171 10.007 307 15 2354 1 2.76 2.7348 10.295 307 15 2356 1 2.82 2.7021 10.506 307 15 3317 1 2.82 2.6855 10.617 307 15 3318 1 2.96 2.2092 10.536 307 15 3469 1 2.79 3.0537 10.571 307 15 3769 1 2.68 2.6040 12.749 307 15 3771 1 2.80 2.4748 12.423 ## Starting information for simulation # 16 ## Starting information for simulation # 17 ## Starting information for simulation # 18 307 18 912 1 2.80 2.4941 11.501 307 18 1481 1 2.65 2.7249 10.432 307 18 1552 1 2.82 2.8726 11.303 307 18 1553 1 2.69 3.0584 11.410 307 18 2692 1 2.96 2.6445 12.498 307 18 3534 1 2.92 2.6725 10.894 307 18 4589 1 2.74 3.0603 11.682 307 18 4710 1 2.90 2.7382 12.925 307 18 4714 1 2.85 2.6961 12.324 307 18 4718 1 2.79 2.4876 12.481 307 18 4721 1 2.91 2.2900 12.718 307 18 4722 1 2.76 2.5491 12.902 307 18 4723 1 2.78 2.7022 13.027 307 18 4724 1 2.74 2.6994 13.123 307 18 4725 1 2.89 2.2862 13.391 307 18 4726 1 2.57 2.7628 13.239 307 18 4731 1 2.83 2.6585 12.953 307 18 4732 1 2.85 2.1927 12.996 307 18 4733 1 2.86 2.4078 12.938 307 18 4735 1 2.66 3.0387 12.966 307 18 4736 1 2.90 2.5812 12.675 307 18 4737 1 2.98 2.5307 12.766 307 18 5630 1 2.82 2.7392 11.676 307 18 6436 1 2.74 2.7246 11.262 307 18 6437 1 2.68 2.7681 11.653 307 18 8953 1 2.98 2.3137 11.623 ## Starting information for simulation # 19 ## Starting information for simulation # 20 307 20 7999 1 2.66 2.6596 6.184 307 20 8000 1 2.67 2.9365 5.565 307 20 8015 1 2.75 2.4092 5.504 307 20 8016 1 2.83 2.7042 5.496 307 20 8017 1 2.88 2.5924 6.552 307 20 8019 1 2.75 3.0259 5.574 307 20 8020 1 2.69 2.4247 5.964 307 20 8021 1 2.70 2.8958 5.518 307 20 8022 1 2.77 2.3560 5.816 307 20 8023 1 2.92 2.8088 5.361 307 20 8024 1 2.88 2.5800 5.368 307 20 8025 1 2.69 2.8040 5.518 307 20 8026 1 2.61 2.9308 5.530 307 20 8028 1 2.99 2.9549 5.260 307 20 8029 1 2.77 2.6737 5.718 307 20 8032 1 2.82 2.5383 5.470 307 20 8033 1 2.78 2.8223 5.311 307 20 8034 1 2.84 2.4771 5.214 307 20 8035 1 2.94 2.7072 5.594 307 20 8036 1 2.88 2.4870 5.490 307 20 8037 1 2.73 3.0659 6.029 307 20 8038 1 2.67 2.5919 5.414 307 20 8039 1 2.61 2.4255 5.934 307 20 8040 1 2.75 2.6700 6.470 307 20 8041 1 2.94 2.8083 6.619 307 20 8046 1 2.79 2.6032 6.039 307 20 8070 1 2.82 2.5002 5.799 307 20 8094 1 2.70 2.7596 5.925 307 20 8095 1 2.94 2.7913 5.782 307 20 8110 1 2.91 3.0453 6.033 307 20 8113 1 2.79 2.6646 5.754 307 20 8115 1 2.66 2.6731 5.935 307 20 8117 1 2.76 2.8166 5.950 307 20 8118 1 2.89 2.6272 5.491 307 20 8119 1 2.63 2.9478 5.676 307 20 8122 1 2.90 2.5314 5.429 307 20 8123 1 2.73 2.8822 5.532 307 20 8378 1 2.78 2.9792 5.196 307 20 8379 1 2.83 2.7231 5.048 307 20 8380 1 2.85 2.9883 5.250 307 20 8383 1 2.58 2.8358 5.407 ## Starting information for simulation # 21 ## Starting information for simulation # 22 307 22 4144 1 2.89 2.5131 11.726 307 22 6941 1 2.63 2.2642 12.051 307 22 7441 1 2.87 2.5419 11.571 307 22 8066 1 2.53 2.8132 12.596 307 22 8067 1 2.71 2.9796 12.530 307 22 8108 1 2.85 1.9332 12.162 307 22 9743 1 2.77 2.2042 12.432 ## Starting information for simulation # 23 ## Starting information for simulation # 24 ## Starting information for simulation # 25 ## Starting information for simulation # 26 307 26 875 1 2.82 2.5276 10.661 307 26 1112 1 2.65 3.0075 8.976 307 26 2078 1 2.94 2.4693 8.458 307 26 2141 1 2.79 2.5651 8.214 307 26 2420 1 2.71 2.8477 10.749 307 26 2421 1 2.67 2.9086 10.685 307 26 2422 1 2.81 2.4381 10.611 307 26 2423 1 2.76 2.5914 10.362 307 26 2425 1 2.78 2.7622 11.039 307 26 2426 1 2.59 2.7880 11.191 307 26 2626 1 2.91 2.8799 10.359 307 26 5769 1 2.84 2.5114 11.054 307 26 5770 1 2.76 2.8605 11.546 307 26 6397 1 2.76 2.7379 12.840 307 26 6398 1 2.73 2.7488 12.889 307 26 6399 1 2.93 2.6918 13.156 307 26 6400 1 2.59 2.6922 13.217 307 26 6401 1 2.83 2.5083 12.475 ## 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 ## Starting information for simulation # 32 ## Starting information for simulation # 33 ## Starting information for simulation # 34 ## Starting information for simulation # 35 ## Starting information for simulation # 36