# Bonding information for index 10 -- 0MA_12@O2 0MA_14@H6O 0MA_14@O6 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 10 2 854 1 2.81 2.7696 13.191 10 2 855 1 2.95 2.9857 13.089 10 2 856 1 2.70 2.6936 13.697 10 2 857 1 2.93 2.9787 13.271 10 2 974 1 2.90 3.0353 12.548 10 2 1121 1 2.82 2.9039 13.480 10 2 1122 1 2.81 2.4580 13.382 ## 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 10 11 7947 1 2.70 2.7196 11.267 10 11 7948 1 2.99 3.0359 11.551 10 11 7993 1 2.69 2.8496 13.169 10 11 7994 1 2.70 2.6585 13.436 10 11 7995 1 2.77 2.7572 13.367 10 11 8282 1 2.98 2.8188 12.874 10 11 8283 1 2.79 2.8937 12.935 10 11 8284 1 2.81 2.6418 12.482 10 11 8285 1 2.93 2.6894 12.230 10 11 8286 1 2.67 3.0523 12.406 10 11 8287 1 2.60 2.8680 12.297 10 11 8288 1 2.66 2.8587 11.755 10 11 8289 1 2.73 2.8307 12.286 10 11 8291 1 2.81 2.9887 12.726 10 11 8292 1 2.76 2.9280 12.474 10 11 8293 1 2.79 2.7585 13.029 10 11 8294 1 2.82 3.0749 12.850 10 11 8295 1 2.77 2.9283 12.865 10 11 8296 1 2.86 2.7999 13.085 10 11 8297 1 2.72 3.0281 12.971 10 11 8298 1 2.61 2.5608 12.461 10 11 8299 1 2.70 2.7833 12.081 10 11 8300 1 2.76 2.7383 12.032 10 11 8347 1 2.69 2.4919 12.121 10 11 8348 1 2.81 2.9591 11.722 10 11 8349 1 2.70 2.5103 11.293 10 11 8354 1 2.74 2.4444 12.999 10 11 8355 1 2.82 2.7448 12.621 10 11 8356 1 2.74 2.6979 12.815 10 11 8357 1 2.60 2.3904 12.266 10 11 8358 1 2.81 2.2939 12.526 10 11 8359 1 2.72 2.7914 11.919 10 11 8360 1 2.61 2.1910 12.061 10 11 8361 1 2.76 2.3491 11.708 10 11 8362 1 2.70 2.3890 11.801 10 11 8363 1 2.76 2.7327 12.141 10 11 8427 1 2.94 1.9931 11.080 10 11 8441 1 2.93 2.4858 11.572 ## Starting information for simulation # 12 ## Starting information for simulation # 13 10 13 947 1 2.56 2.6498 11.071 10 13 950 1 2.83 2.7214 11.223 10 13 951 1 2.80 3.1028 11.801 10 13 952 1 2.79 2.3645 12.133 10 13 953 1 2.67 3.0925 12.228 10 13 954 1 2.70 3.0597 12.007 10 13 955 1 2.67 2.9297 12.331 10 13 956 1 2.66 2.8022 11.687 10 13 957 1 2.63 3.0717 11.710 10 13 958 1 2.82 2.8569 12.218 10 13 959 1 2.85 2.8611 12.102 10 13 960 1 2.73 2.2607 11.456 10 13 961 1 2.57 2.8869 11.500 10 13 962 1 2.68 2.5676 11.505 10 13 963 1 2.86 2.9198 11.215 10 13 964 1 2.83 2.7340 10.942 10 13 965 1 2.76 2.9471 11.900 ## Starting information for simulation # 14 ## Starting information for simulation # 15 ## Starting information for simulation # 16 ## Starting information for simulation # 17 10 17 2084 1 2.64 2.5825 14.242 10 17 2085 1 2.74 2.5905 14.005 10 17 2086 1 2.94 2.5116 14.176 10 17 2087 1 2.90 2.8945 13.646 10 17 2088 1 2.70 2.6476 13.877 10 17 2089 1 2.70 2.8982 14.061 10 17 3837 1 2.87 2.4725 11.813 10 17 3838 1 2.76 2.6554 11.690 10 17 3839 1 2.57 2.9027 11.354 10 17 3840 1 2.92 2.9699 11.963 10 17 3841 1 2.82 2.9699 11.475 ## 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 10 22 4683 1 2.84 2.6687 12.994 10 22 4684 1 3.00 2.7882 13.065 10 22 4720 1 2.87 2.6435 12.739 10 22 4832 1 2.96 2.8220 12.936 10 22 5634 1 2.89 1.8640 12.872 10 22 5637 1 2.73 2.2850 12.847 10 22 5638 1 2.73 2.6545 12.299 10 22 5640 1 2.82 2.4535 12.565 10 22 5641 1 2.67 2.9068 13.042 10 22 5645 1 2.93 2.3469 12.162 10 22 5646 1 2.75 2.3373 12.937 10 22 5664 1 2.94 2.7403 12.925 10 22 5667 1 2.89 3.0149 12.742 10 22 5674 1 2.82 2.7538 12.793 10 22 5675 1 2.70 2.7488 13.394 10 22 5676 1 2.78 2.8692 11.907 10 22 5682 1 2.62 3.1372 11.766 10 22 5688 1 2.91 2.4707 11.964 10 22 5689 1 2.96 2.9097 11.669 10 22 5690 1 2.77 2.4410 12.554 10 22 5691 1 2.60 2.6714 11.895 10 22 5692 1 2.67 2.5792 12.261 10 22 5693 1 2.98 2.2596 11.125 10 22 5694 1 2.88 2.8806 12.611 10 22 5697 1 2.88 2.9019 11.913 10 22 5698 1 2.64 2.9465 12.854 10 22 5699 1 2.64 2.6813 12.945 10 22 5701 1 2.96 2.6305 12.077 10 22 5702 1 2.84 2.4038 12.839 10 22 5703 1 3.00 2.7773 11.820 10 22 5704 1 2.83 2.5076 11.944 10 22 5706 1 2.74 2.7200 11.679 10 22 5707 1 2.69 2.9237 11.732 10 22 5709 1 2.71 2.8298 11.716 10 22 5711 1 2.70 3.1200 11.464 10 22 5712 1 2.92 2.4063 12.587 10 22 5713 1 2.78 2.8176 12.499 10 22 5714 1 2.95 2.1169 11.496 10 22 5715 1 2.66 2.6032 12.080 10 22 5717 1 2.96 2.7615 11.035 10 22 5718 1 2.81 2.4735 11.384 10 22 5719 1 2.73 3.0297 11.266 10 22 5720 1 2.87 2.7408 11.267 10 22 5721 1 2.78 2.7187 11.182 10 22 5724 1 2.73 2.6567 11.821 10 22 5725 1 2.99 2.9108 12.674 10 22 5726 1 2.89 2.6235 12.219 10 22 5727 1 2.66 2.4163 11.612 10 22 5730 1 2.92 2.8642 12.438 10 22 5731 1 2.99 3.0885 12.740 10 22 5732 1 2.86 2.9080 12.615 10 22 5733 1 2.80 2.5640 12.386 10 22 6105 1 2.79 2.9287 13.330 10 22 6106 1 2.65 2.5593 12.397 10 22 6107 1 2.72 2.8021 13.518 10 22 6109 1 2.57 3.0026 13.487 10 22 6300 1 2.74 3.0274 13.052 10 22 6301 1 2.65 3.0658 13.228 10 22 6302 1 2.56 2.8184 13.038 10 22 6303 1 2.76 3.0433 12.780 10 22 6304 1 2.83 2.4636 13.013 10 22 6308 1 2.93 2.8088 13.452 10 22 6309 1 2.72 2.4715 13.308 10 22 6310 1 2.95 2.7694 12.775 10 22 6311 1 2.84 2.9653 13.140 10 22 6376 1 2.95 2.8720 12.288 10 22 8226 1 2.91 1.8092 12.964 10 22 8430 1 2.90 2.5855 13.097 10 22 8431 1 3.00 2.0498 12.918 10 22 8432 1 2.89 2.6607 13.030 10 22 8433 1 2.77 2.4741 13.344 10 22 8434 1 2.71 2.7359 13.122 10 22 8437 1 2.91 2.5462 12.749 10 22 8438 1 2.89 2.3900 12.593 10 22 8439 1 2.74 2.1292 12.908 10 22 8440 1 2.67 2.4279 12.110 10 22 8441 1 2.74 2.8106 12.965 10 22 8442 1 2.65 2.8159 13.036 10 22 8443 1 2.69 2.7089 13.221 10 22 8444 1 2.96 2.8447 12.907 10 22 8445 1 2.84 2.7578 13.617 10 22 8446 1 2.75 2.6753 12.733 10 22 8447 1 2.75 2.6588 12.989 10 22 8448 1 2.82 2.3257 13.194 10 22 8449 1 2.73 2.5151 12.813 10 22 8451 1 2.96 2.5385 12.478 10 22 8453 1 2.85 2.5923 13.216 10 22 8454 1 2.71 2.8381 13.614 10 22 8455 1 2.83 2.8941 13.262 10 22 8457 1 2.75 2.5946 12.827 10 22 8458 1 2.86 2.9331 13.167 10 22 8459 1 2.73 2.7352 12.471 10 22 8467 1 2.87 2.8729 12.909 10 22 8468 1 2.61 2.6905 11.521 10 22 8469 1 2.91 2.3918 13.153 10 22 8470 1 2.83 2.9262 12.640 10 22 8473 1 2.88 2.5323 13.048 10 22 8475 1 2.80 2.7709 13.095 10 22 8477 1 2.90 2.5728 12.353 10 22 8478 1 2.88 2.8439 12.541 10 22 8479 1 2.79 2.8343 12.254 10 22 8480 1 2.74 2.5022 12.493 10 22 8481 1 2.89 2.3424 12.447 10 22 8482 1 2.93 2.4289 12.886 10 22 8483 1 2.99 2.6527 12.626 10 22 8484 1 2.69 2.4857 12.291 10 22 8485 1 2.69 2.3538 13.251 10 22 8486 1 2.94 2.5597 12.840 10 22 8488 1 2.76 2.5092 12.721 10 22 8489 1 2.78 2.5939 13.016 10 22 8490 1 2.91 2.8304 13.264 10 22 8491 1 2.86 2.7693 12.833 10 22 8492 1 2.93 2.8696 13.014 10 22 8494 1 2.71 2.6823 12.836 10 22 8496 1 2.82 3.0912 13.215 10 22 8497 1 2.65 2.5082 12.608 10 22 8498 1 2.68 2.5596 12.702 10 22 8499 1 2.81 2.4287 12.535 10 22 8500 1 2.99 3.0659 13.057 10 22 8501 1 2.80 2.9532 12.360 10 22 8502 1 2.78 2.6696 12.903 10 22 8503 1 2.89 2.6225 12.096 10 22 8505 1 2.71 2.7357 12.180 10 22 8507 1 2.72 2.4967 11.949 10 22 8508 1 2.90 2.6450 12.492 10 22 8510 1 2.69 2.5215 12.204 10 22 8511 1 2.76 2.5318 12.841 10 22 8512 1 2.84 2.4160 12.687 10 22 8513 1 2.97 2.9260 13.013 10 22 8516 1 2.71 2.5567 12.322 10 22 8518 1 2.84 2.7112 12.636 10 22 8519 1 2.97 2.9815 12.560 10 22 8520 1 2.62 2.4758 12.813 10 22 8522 1 2.84 2.3264 12.743 10 22 8523 1 2.80 2.5787 13.183 10 22 8524 1 2.99 2.9964 12.946 10 22 8526 1 2.67 2.5585 13.140 10 22 8529 1 2.78 2.8830 12.425 10 22 8530 1 2.93 2.4854 12.787 10 22 8531 1 2.70 2.9183 12.725 10 22 8532 1 2.92 2.4228 12.864 10 22 8534 1 2.92 2.7023 12.617 10 22 8537 1 2.68 2.7641 12.671 10 22 8538 1 2.98 2.3881 13.012 10 22 8540 1 2.83 2.7507 13.113 10 22 8542 1 2.78 2.6990 13.470 10 22 8543 1 2.63 2.6722 13.464 10 22 8544 1 2.85 3.0131 13.102 10 22 8545 1 2.86 2.8154 13.224 10 22 8546 1 2.89 2.6846 12.619 10 22 8547 1 2.79 2.7361 12.722 10 22 8548 1 2.82 2.5976 12.766 10 22 8549 1 2.86 2.9292 13.196 10 22 8550 1 2.80 2.4717 12.388 10 22 8551 1 2.78 2.4386 12.517 10 22 8552 1 2.99 2.8386 13.160 10 22 8553 1 2.63 3.0366 13.125 10 22 8556 1 2.65 2.7539 12.622 10 22 8557 1 2.86 2.8649 13.354 10 22 8558 1 2.61 2.8044 12.837 10 22 8559 1 2.76 2.6881 12.934 10 22 8560 1 2.71 2.5703 12.779 10 22 8564 1 2.89 2.9021 12.815 10 22 8565 1 2.91 2.7814 13.371 10 22 8566 1 2.70 3.0284 13.194 10 22 8568 1 2.89 2.8070 13.590 10 22 8569 1 2.68 2.4736 13.445 10 22 8570 1 2.83 2.8370 13.322 10 22 8571 1 2.67 2.9462 12.714 10 22 8572 1 2.93 2.6185 12.759 10 22 8573 1 2.69 2.8341 13.098 10 22 8576 1 2.82 2.9507 12.808 10 22 8577 1 2.65 3.0822 12.636 10 22 8578 1 2.95 2.4904 12.703 10 22 8579 1 2.65 2.6671 12.715 10 22 8580 1 2.81 2.7147 12.492 10 22 8581 1 2.94 2.9470 12.730 10 22 8582 1 2.98 2.7656 12.623 10 22 8591 1 2.85 2.8643 13.119 10 22 8592 1 2.78 2.6195 12.881 10 22 8593 1 2.83 2.7266 12.716 10 22 8594 1 2.91 2.4382 13.143 10 22 8595 1 2.98 2.6096 13.330 10 22 8596 1 2.67 2.4863 13.295 10 22 8597 1 2.77 2.4064 13.362 10 22 8598 1 2.59 2.8233 12.742 10 22 8599 1 2.82 2.9588 12.748 10 22 8600 1 2.93 2.5196 12.376 10 22 8601 1 2.73 2.7933 11.866 10 22 8611 1 2.78 3.1046 13.259 10 22 8612 1 2.78 2.3814 13.357 10 22 8613 1 2.71 2.8277 13.529 10 22 8614 1 2.91 2.3635 13.238 10 22 8616 1 2.91 2.7359 12.665 10 22 8617 1 2.98 2.6776 12.910 10 22 8618 1 2.90 2.8401 12.866 10 22 8622 1 2.81 2.7292 12.696 10 22 8624 1 2.79 2.5898 13.627 10 22 8626 1 2.83 3.0640 12.905 10 22 8627 1 2.95 2.5914 13.353 10 22 8630 1 2.75 2.4220 13.148 10 22 8632 1 2.81 2.6989 13.003 10 22 8633 1 2.67 2.5404 13.041 10 22 8634 1 2.82 2.2642 13.184 10 22 8635 1 2.78 2.4965 13.170 10 22 8636 1 2.74 2.5750 13.152 10 22 8637 1 2.82 2.4373 13.191 10 22 8643 1 2.85 2.9352 13.208 10 22 8644 1 3.00 2.5068 12.805 10 22 8645 1 2.88 2.5717 12.503 10 22 8646 1 2.89 2.7524 13.297 10 22 8647 1 2.69 2.4303 13.357 10 22 8648 1 2.97 2.5541 13.093 10 22 8649 1 2.74 2.9335 13.172 10 22 8650 1 2.73 2.7452 13.101 10 22 8651 1 2.82 2.8322 13.270 10 22 8652 1 2.76 2.8096 13.780 10 22 8653 1 2.65 2.7907 13.085 10 22 8654 1 2.98 2.4730 13.374 10 22 8655 1 2.85 2.4618 13.106 10 22 8657 1 2.62 2.9756 12.835 10 22 8658 1 2.98 2.4436 13.125 10 22 8659 1 2.75 2.4895 13.332 10 22 8660 1 2.72 2.7199 13.462 10 22 8661 1 2.72 2.7053 13.060 10 22 8662 1 2.65 2.5924 13.341 10 22 8663 1 2.82 2.5462 13.204 10 22 8664 1 2.60 2.7940 12.775 10 22 8665 1 2.84 2.3452 13.078 10 22 9695 1 2.84 2.7689 12.582 10 22 9696 1 2.84 2.7233 12.529 10 22 9897 1 2.90 2.9009 12.734 ## 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 ## Starting information for simulation # 28 ## Starting information for simulation # 29 10 29 5918 1 2.93 2.9594 13.582 10 29 5919 1 2.88 2.1792 13.276 10 29 5920 1 2.60 3.0505 13.285 10 29 5921 1 2.66 2.8276 13.686 10 29 5924 1 2.94 2.6736 14.277 10 29 5927 1 2.86 2.5288 12.964 10 29 5928 1 2.67 2.7855 13.433 10 29 5929 1 2.65 2.7739 14.214 10 29 5930 1 2.73 2.6022 13.469 10 29 5931 1 2.94 1.9244 13.423 10 29 5932 1 2.92 3.0353 13.264 10 29 5934 1 2.85 2.6447 13.211 10 29 5935 1 2.84 2.8655 13.577 10 29 5936 1 2.72 2.6891 13.165 10 29 5937 1 2.90 1.9858 13.176 10 29 5943 1 2.78 2.7851 13.585 10 29 5944 1 2.67 2.4792 13.479 ## 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 10 34 10632 1 2.84 2.9913 11.913 ## Starting information for simulation # 35 ## Starting information for simulation # 36