# Bonding information for index 177 -- 0MA_13@O4 0MA_12@H6O 0MA_12@O6 # 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 # 4 177 4 3386 1 2.58 2.8260 12.005 177 4 3387 1 2.76 2.9615 12.801 177 4 3391 1 2.80 2.8566 12.372 177 4 3640 1 2.72 2.5901 12.666 177 4 3719 1 2.93 2.7379 13.353 177 4 3722 1 2.64 2.5663 13.077 177 4 3723 1 2.75 2.8966 13.332 177 4 3733 1 2.87 2.5649 12.771 177 4 3734 1 2.76 2.1091 12.601 177 4 3744 1 2.87 1.9876 13.112 177 4 3746 1 2.79 2.8576 12.997 177 4 3747 1 2.77 2.8564 13.086 177 4 3749 1 2.89 2.9542 13.014 177 4 3754 1 2.83 2.6358 13.134 ## Starting information for simulation # 5 ## Starting information for simulation # 6 177 6 1678 1 2.73 2.8609 11.994 177 6 1680 1 2.87 2.9597 11.408 177 6 1681 1 2.69 2.9150 11.065 177 6 1683 1 2.78 3.0540 11.643 177 6 1684 1 2.98 3.0152 11.372 177 6 1685 1 2.83 2.8383 12.088 177 6 1686 1 2.77 2.8356 12.069 177 6 9375 1 2.86 1.9998 9.319 177 6 9376 1 2.97 2.6419 9.434 177 6 9377 1 2.91 2.6470 8.821 177 6 9378 1 2.78 2.4671 9.342 ## Starting information for simulation # 7 ## Starting information for simulation # 8 ## Starting information for simulation # 9 177 9 4533 1 2.76 2.4265 11.068 177 9 4534 1 2.88 2.9851 11.010 177 9 4536 1 2.84 2.7543 11.372 177 9 4537 1 2.80 2.1196 11.185 177 9 4538 1 2.74 2.5856 10.696 177 9 4539 1 2.72 3.1042 10.698 177 9 4540 1 2.78 3.0741 11.517 177 9 4541 1 2.78 2.6715 11.655 177 9 4542 1 2.72 2.8292 11.607 177 9 4543 1 2.75 2.5362 11.541 177 9 4544 1 2.75 2.5771 11.538 177 9 4545 1 2.59 2.8203 11.505 177 9 4546 1 2.89 2.8848 11.312 177 9 4547 1 2.65 2.8409 11.133 177 9 4548 1 2.96 2.5882 11.049 177 9 4549 1 2.72 2.6793 11.258 177 9 4550 1 2.61 2.9378 11.372 177 9 4551 1 2.71 2.6192 10.870 177 9 4579 1 2.76 1.9081 10.245 177 9 4606 1 2.85 2.4073 10.450 177 9 4608 1 2.98 3.0295 10.393 177 9 4609 1 2.81 2.7279 10.625 177 9 4618 1 2.69 2.9897 10.449 177 9 4641 1 2.80 2.8196 10.771 177 9 4642 1 3.00 2.6932 10.600 177 9 4643 1 2.79 2.2306 11.009 177 9 4644 1 2.71 3.0745 10.454 177 9 4657 1 2.76 2.9866 11.493 177 9 4659 1 2.99 2.9210 10.679 177 9 5756 1 2.73 2.9580 12.404 177 9 6086 1 2.61 2.5487 12.833 177 9 6087 1 2.85 2.7811 13.197 177 9 6088 1 2.76 2.6662 12.473 177 9 6090 1 2.85 2.9421 12.915 177 9 6092 1 2.98 2.7441 12.702 177 9 6326 1 2.89 2.0529 12.483 177 9 9321 1 2.95 2.0927 9.942 177 9 9496 1 2.76 2.7779 10.340 177 9 9498 1 2.65 2.5114 9.774 177 9 9597 1 2.88 2.6188 10.824 177 9 9628 1 2.79 2.7781 10.160 177 9 9629 1 2.91 2.8506 9.554 177 9 9630 1 2.79 2.7579 10.417 177 9 9631 1 2.75 2.4881 9.765 177 9 9632 1 2.92 2.6684 10.206 177 9 9633 1 2.77 2.0330 10.023 177 9 9634 1 2.60 2.9045 10.463 177 9 9635 1 2.77 2.7623 9.597 177 9 9636 1 2.72 3.0031 9.487 177 9 9637 1 2.64 2.8065 9.905 177 9 9638 1 2.90 2.9686 10.342 177 9 9639 1 2.62 3.0606 10.465 177 9 9641 1 2.88 2.3530 10.480 177 9 9642 1 2.81 2.8664 10.242 177 9 9702 1 2.76 2.5593 9.301 177 9 9703 1 2.85 2.7577 9.746 177 9 9705 1 2.68 2.6266 9.602 ## Starting information for simulation # 10 177 10 8622 1 2.76 2.9307 7.798 177 10 8623 1 2.86 2.9219 8.171 177 10 8624 1 2.75 2.8584 8.054 177 10 8625 1 2.77 2.8065 7.470 177 10 8626 1 2.80 2.6383 8.268 177 10 8630 1 2.71 2.3718 8.250 ## Starting information for simulation # 11 ## Starting information for simulation # 12 177 12 165 1 2.70 2.6594 9.659 177 12 166 1 2.87 1.9898 9.837 ## Starting information for simulation # 13 ## Starting information for simulation # 14 177 14 2118 1 2.76 2.7987 12.908 177 14 2119 1 2.79 2.7296 13.111 177 14 2121 1 2.83 2.9795 12.840 177 14 2122 1 2.81 2.8728 11.993 177 14 2123 1 2.67 2.7089 12.670 177 14 2124 1 2.66 2.6889 11.905 177 14 2125 1 2.99 2.8129 12.448 177 14 2126 1 2.60 2.9943 12.131 177 14 2127 1 2.87 2.7741 12.522 177 14 2128 1 2.63 3.0876 12.666 177 14 2129 1 2.80 2.9808 12.566 177 14 2130 1 2.73 2.9363 12.545 ## Starting information for simulation # 15 ## Starting information for simulation # 16 ## Starting information for simulation # 17 ## Starting information for simulation # 18 ## Starting information for simulation # 19 177 19 9744 1 2.91 2.7177 11.441 177 19 9782 1 2.99 1.8846 11.202 177 19 9802 1 2.92 2.7174 10.997 ## Starting information for simulation # 20 ## Starting information for simulation # 21 177 21 4326 1 2.74 2.7976 7.699 177 21 4327 1 2.87 2.9170 7.428 177 21 4328 1 2.83 2.8278 7.796 177 21 4329 1 2.85 2.7194 7.947 177 21 4342 1 2.90 2.7709 8.088 177 21 4593 1 2.99 2.3618 7.686 177 21 4753 1 2.81 2.3692 5.658 177 21 4755 1 2.87 2.6793 5.865 177 21 4756 1 2.68 2.8047 6.654 177 21 4757 1 2.92 3.0273 6.500 177 21 4758 1 2.82 2.2190 6.765 177 21 4759 1 2.82 1.8519 6.625 177 21 4760 1 2.82 2.7225 7.098 177 21 4761 1 2.65 2.2348 6.680 177 21 4762 1 2.85 2.6148 7.142 177 21 4763 1 2.95 2.9971 6.928 177 21 4928 1 2.86 2.2460 5.793 177 21 4929 1 2.95 2.4319 6.001 177 21 4934 1 2.75 3.0724 5.839 177 21 4935 1 2.88 2.9072 5.941 177 21 4938 1 2.83 2.8055 5.395 177 21 4939 1 2.77 2.8460 6.344 177 21 4941 1 2.69 3.0656 6.409 177 21 4952 1 2.89 2.6306 6.455 177 21 4954 1 2.78 2.7695 6.305 177 21 4956 1 2.96 3.0127 6.851 177 21 4957 1 2.76 2.7715 6.335 177 21 4958 1 2.94 2.8199 6.722 177 21 4959 1 2.90 3.0766 6.246 177 21 5664 1 2.87 2.6527 6.167 177 21 5665 1 2.65 2.8450 6.596 177 21 5669 1 2.87 2.8694 6.265 177 21 5670 1 2.97 2.9341 6.575 177 21 5691 1 2.83 2.3117 6.189 177 21 5715 1 2.68 2.5539 6.029 177 21 5717 1 2.75 2.7809 6.200 177 21 5719 1 2.90 2.8470 6.102 177 21 5721 1 2.87 2.2798 6.232 177 21 5722 1 2.93 2.2551 6.076 177 21 5723 1 2.80 2.9175 6.272 177 21 5724 1 2.85 2.7383 6.390 177 21 5727 1 2.86 2.6448 6.430 177 21 5728 1 2.84 2.4710 6.040 177 21 5730 1 2.87 2.4571 6.276 177 21 5762 1 2.73 2.3888 7.197 177 21 5778 1 2.64 2.5933 7.275 177 21 5851 1 2.76 2.3216 9.261 177 21 5951 1 2.68 2.5438 8.101 177 21 5974 1 2.97 2.5866 7.904 177 21 5975 1 2.70 2.9431 7.487 177 21 5979 1 2.81 2.8311 7.504 177 21 5980 1 2.96 2.6789 7.821 177 21 5982 1 2.97 2.7185 6.946 177 21 5983 1 2.58 2.4993 6.767 177 21 5985 1 2.96 2.6913 7.930 177 21 5986 1 2.94 2.8709 7.676 177 21 5987 1 2.75 2.5914 7.238 177 21 5988 1 2.71 2.3668 6.984 177 21 5989 1 2.83 2.4215 7.399 177 21 5996 1 2.82 2.5432 7.645 177 21 5998 1 2.76 2.9529 7.398 177 21 6024 1 2.79 2.9503 7.545 177 21 6027 1 2.84 2.6434 7.459 177 21 6030 1 2.88 2.8975 7.901 177 21 6031 1 2.90 2.4668 8.849 177 21 6032 1 2.99 2.6638 8.366 177 21 6033 1 2.93 2.4115 8.272 177 21 6162 1 2.95 2.3168 9.602 177 21 6164 1 2.78 2.5748 9.070 177 21 6166 1 2.93 2.1931 9.538 177 21 6192 1 2.76 2.5993 8.239 177 21 6193 1 2.94 2.6912 10.046 177 21 6196 1 2.79 2.5305 9.181 177 21 6200 1 2.88 1.9487 9.001 177 21 6230 1 2.94 2.3859 8.678 177 21 6231 1 2.87 2.3813 8.323 177 21 6232 1 2.99 2.5434 8.434 177 21 6251 1 2.61 2.1896 7.236 177 21 6253 1 2.76 2.1900 8.709 177 21 6254 1 2.73 2.7387 8.839 177 21 6255 1 2.68 2.7987 9.365 177 21 6256 1 2.79 2.7772 8.077 177 21 6257 1 2.64 2.3635 8.164 177 21 6258 1 2.96 2.7136 8.072 177 21 6260 1 2.98 2.3423 8.531 177 21 6263 1 2.75 2.8944 8.671 177 21 6264 1 2.58 2.7693 8.781 177 21 6265 1 2.84 2.8276 8.946 177 21 6266 1 2.90 2.4310 8.151 177 21 6296 1 2.57 2.4263 7.946 177 21 6297 1 2.89 2.8117 8.456 177 21 6298 1 2.93 2.6363 8.180 177 21 6299 1 2.98 2.6040 8.013 177 21 6349 1 2.76 2.3359 8.078 177 21 6354 1 2.76 3.1073 8.914 177 21 6355 1 2.83 2.9470 8.062 177 21 6356 1 2.69 2.4561 8.608 177 21 6357 1 2.88 2.7893 8.593 177 21 6358 1 2.73 2.2992 9.191 177 21 6359 1 2.74 2.6048 8.392 177 21 6362 1 2.97 2.8182 9.251 177 21 6364 1 2.69 2.8026 9.775 177 21 9713 1 2.96 2.9493 7.628 ## Starting information for simulation # 22 ## Starting information for simulation # 23 ## Starting information for simulation # 24 177 24 81 1 2.92 2.6502 11.180 177 24 82 1 2.66 2.7814 11.343 177 24 88 1 2.87 2.6691 10.755 177 24 89 1 2.81 2.8999 11.765 177 24 90 1 2.94 2.9474 11.347 177 24 91 1 2.64 2.7826 11.078 177 24 92 1 2.95 2.6580 11.346 177 24 93 1 2.76 2.6832 12.299 177 24 94 1 2.80 2.7111 12.063 177 24 95 1 2.56 2.9966 12.386 177 24 115 1 2.79 2.4437 13.049 177 24 116 1 2.83 2.8363 13.027 177 24 117 1 2.94 2.8608 12.652 177 24 118 1 2.85 2.7418 12.890 177 24 119 1 2.75 2.7317 12.509 177 24 120 1 2.92 2.8307 13.311 177 24 121 1 2.85 2.7422 12.977 177 24 2974 1 2.81 2.7810 11.616 177 24 4549 1 2.91 2.6880 11.439 177 24 9305 1 2.95 2.0590 12.773 ## Starting information for simulation # 25 177 25 4645 1 2.69 2.6974 12.034 177 25 4646 1 2.72 3.0235 12.488 177 25 4723 1 2.71 2.5780 11.604 177 25 4860 1 2.72 2.4810 11.181 177 25 4861 1 2.75 2.8387 11.182 177 25 4863 1 2.76 2.9414 11.528 177 25 4865 1 2.60 2.4281 11.479 177 25 4866 1 2.82 2.9562 11.383 177 25 4867 1 2.93 3.1216 10.782 177 25 4868 1 2.63 2.6742 11.600 177 25 4871 1 2.80 2.6491 11.327 177 25 4872 1 2.85 2.9184 11.295 177 25 4873 1 2.98 3.0164 11.433 177 25 4874 1 2.82 2.5608 12.201 177 25 4875 1 2.78 3.0395 11.504 177 25 4876 1 2.98 2.8017 11.677 177 25 4877 1 2.73 2.8708 11.396 177 25 4878 1 2.98 2.9140 11.376 177 25 4879 1 2.96 2.8402 11.326 177 25 4881 1 2.95 2.5044 11.718 177 25 4882 1 2.75 2.7686 11.438 177 25 4883 1 2.65 3.0190 11.353 177 25 4884 1 2.76 2.9724 11.076 177 25 4886 1 2.87 2.6654 11.315 177 25 4888 1 2.56 2.7948 11.103 177 25 4889 1 2.86 2.6427 11.373 177 25 4890 1 2.87 2.3563 11.213 177 25 4891 1 2.81 2.8159 11.761 177 25 4892 1 2.86 2.8198 11.497 177 25 4893 1 2.88 2.9301 11.241 177 25 4894 1 2.82 2.3533 10.904 177 25 4895 1 2.60 2.9625 10.545 177 25 4896 1 2.99 2.8912 11.108 177 25 4897 1 2.78 2.3548 10.381 177 25 4898 1 2.95 2.4129 11.180 177 25 4899 1 2.81 2.9154 11.133 177 25 4903 1 2.77 2.9270 11.445 177 25 4911 1 2.92 2.8277 12.190 177 25 4912 1 2.70 2.9276 11.673 177 25 4914 1 2.80 3.0069 11.143 177 25 4917 1 2.86 2.9771 10.722 177 25 4918 1 2.70 3.0704 10.488 177 25 4919 1 2.81 2.9937 10.480 177 25 4920 1 2.84 2.6545 10.913 177 25 4921 1 2.76 2.5104 11.359 177 25 4926 1 2.95 2.6854 11.185 177 25 4927 1 2.82 2.7598 10.325 177 25 5045 1 2.92 2.7241 12.219 177 25 5046 1 2.71 2.9737 11.761 177 25 5047 1 2.80 2.7571 12.386 177 25 5048 1 2.88 2.9197 11.870 177 25 5051 1 2.81 2.7990 11.343 177 25 5052 1 2.82 2.7963 11.821 177 25 5054 1 2.78 2.5369 11.427 177 25 5055 1 3.00 2.6155 12.566 177 25 5058 1 2.69 2.8990 12.136 177 25 5059 1 2.69 2.6604 12.774 177 25 5061 1 2.78 2.3699 11.970 177 25 5062 1 2.85 2.9402 11.785 177 25 5063 1 2.65 2.9105 11.873 177 25 5064 1 2.70 3.0320 12.311 177 25 5069 1 2.89 2.0043 11.897 177 25 5282 1 2.84 2.5361 11.216 177 25 5283 1 2.62 2.6160 10.855 177 25 5284 1 2.97 2.9503 10.936 177 25 5285 1 2.84 1.8112 11.062 177 25 5629 1 2.79 2.6604 11.880 ## Starting information for simulation # 26 ## Starting information for simulation # 27 177 27 3984 1 2.85 1.8854 9.671 177 27 7471 1 2.73 2.5560 11.497 177 27 7472 1 2.78 2.6102 12.170 177 27 7474 1 2.71 2.7713 11.305 177 27 7475 1 2.95 3.0130 11.471 177 27 7476 1 2.93 2.8075 11.231 177 27 7524 1 2.89 2.6535 11.182 177 27 9300 1 2.94 2.8383 12.361 177 27 9301 1 2.68 3.0720 12.176 ## 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