# Bonding information for index 32 -- 0MA_12@O3 0MA_14@H2O 0MA_14@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 32 5 818 1 2.88 2.5427 11.865 32 5 829 1 2.91 2.6814 12.263 ## 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 32 11 3432 1 2.84 2.0265 12.174 32 11 3999 1 2.64 2.6772 13.267 32 11 7826 1 2.89 2.8743 12.997 32 11 7827 1 2.66 2.7951 12.830 32 11 7828 1 2.64 2.8270 12.323 32 11 7829 1 2.63 2.5796 12.863 32 11 7830 1 2.82 2.5243 13.083 32 11 7831 1 2.90 2.8194 11.640 32 11 7832 1 2.89 2.8069 12.358 32 11 7833 1 2.70 2.8556 12.225 32 11 7835 1 2.58 2.6400 12.474 32 11 7836 1 2.73 3.0148 11.355 32 11 7837 1 2.67 2.6385 12.041 32 11 7843 1 2.74 2.9936 12.233 32 11 7844 1 2.98 3.0349 11.977 32 11 7845 1 2.65 3.0112 12.224 32 11 7846 1 2.68 2.6693 12.169 32 11 7847 1 2.84 2.8644 12.813 32 11 7848 1 2.92 2.8088 12.777 32 11 7858 1 2.76 2.8461 11.807 32 11 7859 1 2.77 2.9557 11.566 32 11 7860 1 2.95 2.8891 11.729 32 11 7861 1 2.83 3.0259 11.694 32 11 7863 1 2.85 2.8206 11.503 32 11 7865 1 2.92 2.7308 11.781 32 11 7866 1 2.63 2.8679 11.872 32 11 7867 1 2.73 2.7646 11.908 32 11 7868 1 2.68 2.9633 11.976 32 11 7869 1 2.80 2.7511 12.492 32 11 7871 1 2.82 3.1137 12.648 32 11 7872 1 2.64 2.7049 12.296 32 11 7873 1 2.80 2.8729 12.502 32 11 7874 1 2.62 2.8027 12.094 32 11 7875 1 2.84 2.8185 12.340 32 11 7877 1 2.88 2.6128 12.007 32 11 7891 1 2.78 2.5370 12.096 ## Starting information for simulation # 12 ## Starting information for simulation # 13 32 13 1003 1 2.65 2.7823 12.174 ## Starting information for simulation # 14 32 14 377 1 2.93 2.2709 11.007 ## Starting information for simulation # 15 32 15 272 1 2.95 1.8118 11.178 32 15 6500 1 2.76 2.6639 11.424 32 15 6503 1 2.62 2.8496 11.190 32 15 6505 1 2.53 2.8270 11.409 32 15 6506 1 2.86 2.6207 11.014 32 15 6507 1 2.56 2.6661 11.359 32 15 6508 1 2.51 3.0373 11.452 32 15 6509 1 2.88 2.7754 11.840 32 15 6510 1 2.93 2.8117 11.469 32 15 6511 1 2.85 3.0401 11.250 32 15 6512 1 2.79 2.7029 11.964 32 15 6513 1 2.74 2.5359 11.587 32 15 6529 1 2.74 2.8672 11.039 32 15 6530 1 2.73 2.5800 11.050 32 15 6532 1 2.82 3.0019 11.838 32 15 6533 1 2.74 2.8326 11.546 32 15 6534 1 2.79 2.8211 11.727 32 15 6537 1 2.84 2.4005 11.335 ## Starting information for simulation # 16 32 16 5495 1 2.73 3.0045 8.691 ## Starting information for simulation # 17 ## 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 32 22 4734 1 2.80 2.8690 12.354 32 22 4887 1 2.94 2.5151 12.884 32 22 4888 1 2.77 3.0898 12.920 32 22 4889 1 2.66 2.9356 13.081 32 22 4890 1 2.81 2.3926 12.682 32 22 4891 1 2.86 2.7391 12.700 32 22 5799 1 2.90 2.7303 13.136 32 22 5800 1 2.75 2.9183 13.364 32 22 5801 1 2.88 2.5682 13.111 32 22 5814 1 2.81 2.3556 12.496 32 22 5815 1 2.87 2.5342 12.502 32 22 5816 1 2.88 2.9791 12.700 32 22 5817 1 2.77 2.4657 12.716 32 22 5818 1 2.72 2.4852 12.660 32 22 5819 1 2.78 2.8212 12.675 32 22 5820 1 2.65 2.6158 12.778 32 22 5833 1 2.67 2.8649 11.901 32 22 5846 1 2.99 2.9286 12.141 32 22 5969 1 2.75 2.8039 12.548 32 22 8236 1 2.88 2.9495 12.903 32 22 8243 1 2.71 2.9064 12.633 32 22 9182 1 2.88 2.8031 12.145 32 22 9184 1 2.93 3.0865 11.585 32 22 9185 1 2.85 2.9736 12.050 32 22 9187 1 2.86 2.6332 11.697 32 22 9239 1 2.63 2.7043 11.753 32 22 9505 1 2.83 2.8604 12.390 32 22 9506 1 2.95 2.5857 12.327 32 22 9580 1 2.69 2.7260 11.826 32 22 9584 1 2.81 2.8443 12.531 32 22 9585 1 2.81 2.7474 12.235 32 22 9586 1 2.72 2.8935 12.761 32 22 9587 1 2.67 2.7818 12.145 32 22 9608 1 2.68 2.9545 12.454 32 22 9609 1 2.65 2.8729 12.577 32 22 9610 1 2.90 2.7239 12.238 32 22 9618 1 2.97 3.0518 12.199 32 22 9619 1 2.78 3.0381 11.731 32 22 9620 1 2.99 2.6853 12.103 32 22 9622 1 2.82 2.7931 11.721 32 22 9623 1 2.85 2.8485 11.630 32 22 9624 1 2.72 2.7163 11.586 32 22 9641 1 2.74 2.9496 11.818 ## Starting information for simulation # 23 ## Starting information for simulation # 24 32 24 767 1 2.78 2.9693 11.567 32 24 865 1 2.94 2.7367 12.035 32 24 866 1 2.69 2.9016 11.391 32 24 867 1 2.93 2.6070 11.693 32 24 868 1 2.91 2.5594 11.396 32 24 869 1 2.89 2.8443 11.900 32 24 1032 1 2.72 3.0249 11.603 32 24 2578 1 3.00 2.5006 11.669 32 24 2579 1 2.73 2.8833 11.972 32 24 2580 1 2.78 2.8142 12.048 32 24 2581 1 2.89 2.8298 11.530 32 24 2582 1 2.66 2.5336 11.943 32 24 2583 1 2.89 2.8172 11.861 32 24 2584 1 2.70 3.0920 11.817 32 24 2586 1 2.79 3.0177 11.549 32 24 2587 1 2.69 2.6604 11.049 32 24 2588 1 2.77 3.0033 11.294 32 24 2590 1 2.61 2.8274 11.627 32 24 2591 1 2.62 2.7455 11.531 32 24 3872 1 2.91 2.4984 11.052 32 24 4005 1 2.73 3.0077 11.682 32 24 4007 1 2.66 3.1130 11.649 32 24 4008 1 2.84 2.7746 11.978 32 24 4009 1 2.70 2.9085 11.726 32 24 4289 1 2.95 2.7035 12.263 32 24 4326 1 2.92 2.4672 12.001 32 24 4328 1 2.82 2.5507 11.717 ## Starting information for simulation # 25 32 25 24 1 2.73 2.8694 10.865 32 25 410 1 2.95 2.5635 11.134 32 25 411 1 3.00 2.9534 10.798 32 25 412 1 2.76 2.7305 11.075 32 25 423 1 2.84 2.6085 10.872 32 25 424 1 2.87 2.9904 11.030 32 25 425 1 2.90 2.5146 10.315 32 25 428 1 2.76 2.6512 9.988 32 25 429 1 2.95 2.0169 10.872 32 25 430 1 2.98 2.5434 11.039 32 25 431 1 2.97 1.9034 11.452 32 25 1577 1 2.74 2.8659 10.599 32 25 1579 1 2.81 2.8631 10.271 32 25 1580 1 2.88 2.4614 10.510 32 25 1581 1 2.73 3.0927 10.407 32 25 1582 1 2.73 2.6878 10.352 32 25 1586 1 2.86 2.9836 10.263 32 25 1587 1 2.59 2.7235 10.251 32 25 1589 1 2.74 3.0523 10.872 32 25 1590 1 2.99 2.0487 11.360 32 25 1591 1 2.82 2.9609 11.100 32 25 1592 1 2.96 2.5315 11.459 ## Starting information for simulation # 26 32 26 9709 1 2.78 2.5227 12.538 32 26 9710 1 2.80 2.5686 11.366 32 26 9711 1 2.76 2.8036 12.434 32 26 9712 1 2.76 2.6385 11.510 32 26 9713 1 2.85 3.0050 11.956 32 26 9714 1 2.77 2.8945 11.978 32 26 9715 1 2.87 2.7332 12.216 32 26 9716 1 2.96 2.8398 11.615 32 26 9717 1 2.83 2.9121 11.587 32 26 9718 1 2.75 2.3352 12.053 ## Starting information for simulation # 27 ## Starting information for simulation # 28 32 28 93 1 2.99 2.7969 11.714 32 28 527 1 2.81 2.4554 11.805 32 28 528 1 2.88 2.8222 12.537 32 28 625 1 2.75 2.7159 11.697 32 28 627 1 2.72 2.9159 12.178 32 28 628 1 2.76 2.7152 12.054 32 28 629 1 2.93 2.7387 11.716 32 28 630 1 2.59 2.5576 11.414 ## Starting information for simulation # 29 32 29 203 1 2.76 2.7570 11.381 32 29 3161 1 2.80 2.5399 12.932 32 29 3162 1 2.74 2.6174 12.908 32 29 3163 1 2.66 2.5017 13.397 ## Starting information for simulation # 30 32 30 914 1 2.80 2.5474 12.891 32 30 918 1 2.75 2.8911 12.729 32 30 2496 1 2.75 2.9638 12.583 32 30 2497 1 2.85 1.8112 12.717 32 30 2501 1 2.61 2.8700 12.685 ## Starting information for simulation # 31 32 31 3727 1 2.81 3.0644 11.843 32 31 3729 1 2.91 2.6261 12.329 32 31 3796 1 2.97 2.7028 10.583 32 31 3797 1 2.76 2.6212 10.535 32 31 3799 1 2.84 2.7771 10.726 32 31 3978 1 2.77 3.1326 11.715 32 31 4014 1 2.75 2.9496 9.825 32 31 4015 1 2.79 2.8439 10.252 32 31 4016 1 2.96 2.5869 10.453 32 31 4036 1 2.97 3.0701 10.849 32 31 4037 1 2.89 2.5587 10.484 32 31 4038 1 2.93 2.4368 10.034 32 31 4039 1 2.85 2.5742 10.720 32 31 4040 1 2.96 2.4601 11.224 32 31 4041 1 2.74 2.6900 11.053 32 31 4042 1 2.78 2.9090 11.484 32 31 4043 1 2.81 2.5676 11.001 32 31 4055 1 2.89 2.8787 10.799 32 31 4056 1 2.91 3.1281 11.202 32 31 4057 1 2.88 2.4697 10.616 32 31 4058 1 2.79 2.2369 10.846 32 31 4061 1 2.81 2.7614 10.598 32 31 4062 1 2.86 2.2015 10.045 32 31 4116 1 2.81 3.0745 12.421 32 31 4117 1 2.95 2.4447 11.983 32 31 4207 1 2.89 2.9033 11.510 32 31 4424 1 2.86 2.3731 11.494 32 31 4559 1 2.75 2.7057 11.035 32 31 4560 1 2.66 2.9760 11.100 32 31 4561 1 2.89 2.8811 10.447 32 31 5099 1 2.68 2.8140 11.947 32 31 5100 1 2.83 2.6390 11.672 32 31 5115 1 2.87 2.4119 12.033 32 31 5116 1 2.74 3.0771 12.049 32 31 5117 1 2.71 2.7874 11.808 32 31 5118 1 2.85 2.5455 12.225 32 31 5120 1 2.86 2.2159 11.578 32 31 5136 1 2.92 2.7429 10.999 32 31 5137 1 2.91 2.6702 11.882 32 31 5333 1 2.83 2.8645 11.170 32 31 5334 1 2.81 3.0032 11.443 32 31 5335 1 2.80 2.9749 11.405 32 31 5336 1 2.91 2.5532 11.279 32 31 5362 1 2.66 2.7464 10.821 32 31 5635 1 2.70 2.1784 12.132 32 31 5636 1 2.83 2.7417 12.132 32 31 5639 1 2.82 2.0830 12.603 32 31 5641 1 2.85 2.2784 12.323 32 31 5646 1 2.82 2.6788 12.068 32 31 5648 1 2.73 2.8303 11.926 32 31 5876 1 2.82 2.7349 11.677 32 31 5877 1 2.99 2.0216 12.041 32 31 5999 1 2.76 2.9573 12.030 32 31 6721 1 2.66 2.6996 11.705 32 31 6740 1 2.71 2.8488 11.745 32 31 6741 1 2.82 2.8859 11.665 32 31 6742 1 2.88 2.7548 11.845 32 31 6801 1 2.80 2.6959 12.166 32 31 7899 1 2.88 2.2011 12.182 32 31 8846 1 2.99 2.9204 11.663 32 31 8847 1 2.96 2.8136 10.688 32 31 8848 1 2.82 2.8130 11.211 32 31 8850 1 3.00 2.5903 11.654 32 31 9914 1 2.97 2.4140 10.565 32 31 9918 1 2.63 2.5192 10.140 32 31 9919 1 2.93 2.3506 10.065 32 31 9920 1 2.61 2.9132 11.221 32 31 9921 1 2.77 3.0159 10.479 32 31 9922 1 2.77 2.6020 11.164 32 31 9923 1 2.71 2.5771 10.521 32 31 9924 1 2.63 3.0838 10.996 32 31 9925 1 2.97 2.5789 10.576 32 31 9926 1 2.72 3.0128 10.895 32 31 9927 1 2.94 2.5180 10.825 ## Starting information for simulation # 32 32 32 6070 1 2.89 3.0824 11.882 32 32 6071 1 2.78 2.9815 11.980 32 32 6116 1 2.90 2.4300 12.214 32 32 6117 1 2.81 2.5977 12.102 32 32 6118 1 2.75 2.4100 11.491 32 32 6119 1 2.61 2.9111 11.962 32 32 6120 1 2.73 2.7697 11.984 32 32 6121 1 2.53 2.4844 12.597 32 32 6122 1 2.77 2.7515 12.866 ## Starting information for simulation # 33 ## Starting information for simulation # 34 32 34 5664 1 2.97 2.1001 13.302 32 34 5685 1 2.64 2.4740 12.803 32 34 5686 1 2.88 2.9463 11.948 32 34 5687 1 2.60 2.6807 12.323 32 34 5688 1 2.57 2.8329 12.379 32 34 5689 1 2.84 2.8044 12.409 32 34 5690 1 2.66 2.9587 12.628 32 34 5691 1 2.78 2.6985 12.212 32 34 5692 1 2.82 2.8583 11.820 32 34 5693 1 2.76 2.5781 12.282 32 34 5694 1 2.73 2.6042 11.994 32 34 5695 1 2.67 3.0926 12.042 32 34 5696 1 2.90 2.9109 12.592 32 34 5697 1 2.93 2.7856 12.273 32 34 5698 1 2.77 3.0076 12.292 32 34 5699 1 2.81 2.9286 11.963 32 34 5700 1 2.72 3.0823 11.656 32 34 5704 1 2.85 2.8352 12.704 32 34 5705 1 2.73 2.9929 12.725 32 34 5706 1 2.55 3.0325 12.852 32 34 5707 1 2.69 3.0434 12.366 32 34 5708 1 2.77 2.8538 12.644 32 34 5709 1 2.89 2.6218 12.953 32 34 5710 1 2.76 2.4411 12.443 32 34 5711 1 2.89 2.9439 12.628 32 34 5712 1 2.68 2.6701 13.335 32 34 5713 1 2.65 3.0552 13.120 32 34 5714 1 2.76 2.9974 12.883 32 34 5715 1 2.63 2.9572 12.904 32 34 5717 1 2.99 2.6150 13.149 32 34 5719 1 2.81 3.0218 12.858 32 34 5721 1 2.90 2.8725 11.987 32 34 5722 1 2.69 2.5440 11.963 32 34 5724 1 2.85 2.1661 12.770 32 34 5725 1 2.78 2.8785 12.887 32 34 5726 1 2.76 2.7154 12.738 32 34 5727 1 2.67 2.6805 12.850 32 34 5728 1 2.92 2.8352 13.621 32 34 5733 1 2.87 2.5850 13.909 32 34 5734 1 2.61 2.7373 13.502 32 34 5735 1 2.96 2.8096 13.328 32 34 5743 1 2.90 2.6368 14.108 32 34 6765 1 2.85 2.7114 14.554 32 34 7710 1 2.99 2.5092 13.572 32 34 8024 1 2.83 2.7403 12.795 32 34 8716 1 2.91 1.7720 14.264 32 34 8948 1 2.84 2.5337 13.470 32 34 8950 1 2.90 2.6436 12.780 32 34 8982 1 2.63 2.9726 12.179 32 34 9256 1 2.86 2.0262 12.794 32 34 9756 1 2.81 2.8315 12.095 32 34 9765 1 2.63 2.7001 11.799 32 34 10080 1 2.91 2.8656 13.732 32 34 10090 1 2.89 2.3715 13.599 32 34 10093 1 2.94 1.8897 13.368 32 34 10098 1 2.90 2.9013 13.020 32 34 10099 1 2.76 2.6705 13.078 32 34 10100 1 2.74 2.8151 12.931 ## Starting information for simulation # 35 32 35 7736 1 2.99 2.6720 12.841 ## Starting information for simulation # 36