# Bonding information for index 62 -- 0MA_12@O4 0MA_15@H4O 0MA_15@O4 # 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 62 4 944 1 2.98 2.9256 12.203 62 4 952 1 2.78 2.7009 12.741 62 4 955 1 2.79 2.6502 11.919 62 4 956 1 2.73 2.8113 12.781 62 4 957 1 2.96 2.8213 12.188 62 4 960 1 2.89 2.5069 12.439 62 4 965 1 2.81 2.8064 12.062 62 4 966 1 2.69 2.5844 12.467 62 4 967 1 3.00 2.6181 12.286 62 4 968 1 2.83 2.6053 12.415 ## Starting information for simulation # 5 62 5 6932 1 2.97 1.7950 11.293 ## Starting information for simulation # 6 ## Starting information for simulation # 7 62 7 4218 1 2.80 2.8114 12.462 62 7 4219 1 2.85 2.9699 12.639 62 7 4220 1 2.76 2.8778 12.509 62 7 4222 1 2.82 2.8779 12.501 62 7 4224 1 2.96 2.6699 12.709 62 7 4243 1 2.97 2.6179 12.571 62 7 4373 1 2.88 2.7402 12.524 62 7 4376 1 2.64 2.5212 12.393 62 7 4405 1 2.75 2.8957 12.262 ## Starting information for simulation # 8 62 8 3991 1 2.68 2.6203 10.648 62 8 3992 1 2.98 2.4501 10.399 62 8 3993 1 2.99 2.0382 10.870 62 8 3996 1 2.83 2.6115 10.475 62 8 3997 1 2.85 2.8518 9.828 62 8 3998 1 2.96 2.5844 10.184 62 8 3999 1 2.81 2.8157 11.127 62 8 4000 1 2.85 2.7000 11.024 62 8 4002 1 2.82 2.8459 10.986 62 8 4004 1 2.77 2.3930 10.706 62 8 4006 1 2.89 2.6347 10.442 62 8 4009 1 2.96 3.0225 11.126 62 8 4011 1 2.83 2.7950 11.007 62 8 4012 1 2.96 2.8934 10.364 62 8 4016 1 2.71 2.6015 10.921 62 8 4017 1 2.77 2.7560 11.023 62 8 4018 1 2.78 2.6546 10.976 62 8 4019 1 2.70 2.5091 11.243 62 8 4020 1 2.94 2.9293 10.607 62 8 4021 1 2.83 2.3959 10.009 62 8 4022 1 2.82 2.7976 10.201 62 8 4024 1 2.71 2.5627 10.855 62 8 4026 1 2.94 2.9123 10.787 62 8 4027 1 2.83 2.3179 10.249 62 8 4028 1 2.70 3.0266 10.812 62 8 4029 1 2.76 2.7547 10.563 62 8 4031 1 2.70 2.8769 11.009 62 8 4033 1 2.64 2.7901 10.353 62 8 4034 1 2.99 2.7699 10.145 62 8 4035 1 2.98 2.2891 10.216 62 8 4036 1 2.99 2.4367 10.477 62 8 4037 1 2.86 2.7511 10.750 62 8 4038 1 2.84 2.7830 10.875 62 8 4148 1 2.78 2.6551 10.447 62 8 4150 1 2.91 2.4982 10.312 62 8 4152 1 2.86 2.7347 10.523 62 8 4153 1 2.91 2.9953 10.509 62 8 4272 1 2.57 2.9643 10.701 62 8 4273 1 2.73 2.8064 10.554 62 8 4276 1 2.93 2.6354 11.188 62 8 4278 1 2.76 2.6426 10.326 62 8 4283 1 2.92 2.3616 9.353 62 8 4284 1 2.94 2.7239 9.921 62 8 4285 1 2.94 2.4784 9.600 62 8 4286 1 2.87 2.4555 9.847 62 8 4287 1 2.85 2.6390 10.538 62 8 4289 1 2.66 2.9441 10.453 62 8 4290 1 2.65 2.7033 10.415 62 8 4298 1 2.99 2.4399 9.228 62 8 4389 1 2.80 2.5284 10.097 62 8 4391 1 2.85 2.8466 10.359 62 8 4434 1 2.80 2.8909 9.356 62 8 4435 1 2.84 2.4866 9.914 62 8 4437 1 2.96 2.9042 10.206 62 8 4441 1 2.79 2.7701 9.825 62 8 4443 1 2.84 2.6969 10.526 62 8 4445 1 2.66 2.6715 9.788 62 8 4446 1 2.97 2.8968 9.554 62 8 4447 1 2.89 2.9424 9.727 62 8 4475 1 2.97 2.8170 9.422 62 8 4476 1 2.90 2.7739 11.129 62 8 4477 1 2.78 2.8527 9.770 62 8 4478 1 2.69 2.8311 9.989 62 8 4479 1 2.85 2.8183 9.751 62 8 4481 1 2.67 2.8207 10.128 62 8 4482 1 2.81 2.6861 10.250 62 8 4484 1 2.93 2.5708 10.506 62 8 4485 1 2.76 2.7070 10.463 62 8 4487 1 2.77 2.2560 10.411 62 8 4489 1 2.66 2.5423 10.326 62 8 4491 1 2.71 3.0070 10.451 62 8 4492 1 2.99 2.7439 10.737 62 8 4496 1 2.95 2.8322 11.102 62 8 4500 1 2.83 2.7344 10.517 62 8 4505 1 2.72 2.8439 10.267 62 8 4509 1 2.84 2.2722 11.431 62 8 4512 1 2.75 2.5612 10.938 62 8 4514 1 2.77 2.2397 10.515 62 8 4516 1 2.84 2.8417 11.136 62 8 4517 1 2.70 2.8418 10.859 62 8 4518 1 2.74 2.9218 10.470 62 8 4521 1 2.66 2.9791 9.641 62 8 4531 1 2.83 2.7857 11.054 62 8 4532 1 2.73 2.4102 11.275 62 8 4536 1 2.87 2.5601 11.033 62 8 4546 1 2.85 2.4885 10.245 62 8 4547 1 2.80 2.5459 10.427 62 8 4549 1 2.89 2.8777 8.977 62 8 4550 1 2.82 3.0183 9.525 62 8 4551 1 2.81 2.6671 10.378 62 8 4552 1 2.80 2.8744 10.795 62 8 4556 1 2.74 2.5927 10.551 62 8 4559 1 2.81 2.7156 10.318 62 8 4560 1 2.88 2.7990 11.216 62 8 4561 1 2.76 2.6479 10.214 62 8 4563 1 2.67 2.5058 10.324 62 8 4564 1 2.87 2.8757 9.942 62 8 4565 1 2.56 2.7083 10.878 62 8 4566 1 2.73 2.9513 10.504 62 8 4606 1 2.90 2.5427 9.716 62 8 4607 1 2.82 2.3381 9.851 62 8 4608 1 2.82 2.9145 9.573 62 8 4619 1 2.87 2.6664 10.732 62 8 4621 1 2.80 2.5218 10.353 62 8 4623 1 2.75 2.5867 10.656 62 8 4999 1 2.75 2.9872 10.384 62 8 5001 1 2.66 2.8571 10.354 62 8 5007 1 2.83 2.5714 9.479 62 8 5074 1 2.80 2.9798 10.358 62 8 5076 1 2.94 2.6499 9.984 62 8 5078 1 2.91 2.7797 10.435 62 8 5081 1 2.85 2.7487 9.936 62 8 5082 1 2.73 2.5942 10.743 62 8 5083 1 2.66 2.6063 10.179 62 8 5457 1 2.83 2.1913 10.839 62 8 5465 1 2.88 2.5887 11.846 62 8 5466 1 2.84 2.7713 11.187 62 8 5467 1 2.92 2.8719 11.407 62 8 5469 1 2.90 2.6604 10.509 62 8 5477 1 2.91 2.6622 10.254 62 8 5478 1 2.54 2.6360 10.634 62 8 5479 1 2.71 2.8384 10.875 62 8 5480 1 2.78 2.8320 10.648 62 8 5481 1 2.81 2.6103 9.889 62 8 5483 1 2.71 2.5803 10.210 62 8 5697 1 2.86 2.5473 10.175 62 8 5733 1 2.79 2.9600 10.332 62 8 5735 1 2.84 2.4852 9.179 62 8 5736 1 2.83 2.8866 8.744 62 8 5854 1 2.99 2.5417 10.467 62 8 5856 1 2.74 2.9732 9.804 62 8 5857 1 2.97 2.6592 9.679 62 8 5858 1 2.91 2.7287 9.969 62 8 5859 1 2.87 2.8191 10.167 62 8 5861 1 2.86 2.6038 10.255 62 8 5864 1 2.98 2.4599 10.928 62 8 5866 1 2.81 2.4741 10.687 62 8 5867 1 2.63 2.8575 10.676 62 8 5868 1 2.93 2.5045 11.357 62 8 5869 1 2.68 2.5538 10.239 62 8 5880 1 2.89 2.8233 10.960 62 8 5881 1 2.83 3.0399 10.498 62 8 5884 1 2.91 2.5280 11.083 62 8 5887 1 2.91 2.5709 10.652 62 8 5888 1 2.65 2.4083 11.434 62 8 5889 1 2.99 2.3134 10.963 62 8 5891 1 2.86 2.3916 10.615 62 8 5895 1 2.70 2.5150 10.596 62 8 5914 1 2.88 2.6553 9.596 62 8 5916 1 2.73 2.6062 10.255 62 8 5918 1 2.97 2.5489 10.432 62 8 5920 1 2.94 2.1522 10.599 62 8 5982 1 2.78 2.6559 10.229 62 8 5983 1 2.78 2.5919 9.641 62 8 5984 1 2.93 2.7580 10.154 62 8 6150 1 2.86 2.5501 9.999 62 8 6216 1 2.84 2.8469 9.942 62 8 6221 1 2.79 2.7805 9.294 62 8 6222 1 2.72 2.6326 9.515 62 8 6223 1 2.89 2.8207 9.004 62 8 6228 1 2.83 2.8948 9.603 62 8 6229 1 2.80 2.8897 9.622 62 8 6285 1 2.81 2.5259 10.744 62 8 6314 1 2.76 2.5482 10.292 62 8 6318 1 2.85 2.7248 9.882 62 8 6320 1 2.86 2.6922 9.723 62 8 6695 1 2.95 2.5174 10.219 62 8 6696 1 2.57 2.4257 9.746 62 8 6698 1 2.85 2.5086 9.616 62 8 6699 1 2.89 2.3496 10.504 62 8 6703 1 2.80 2.6363 10.084 62 8 6705 1 2.93 2.6712 10.013 62 8 6706 1 2.66 2.7322 9.671 62 8 6732 1 2.95 2.7943 9.880 62 8 7010 1 2.94 2.5753 11.089 62 8 7015 1 2.84 3.0058 10.909 62 8 7027 1 2.88 2.6977 10.744 62 8 7029 1 2.85 2.7528 10.214 62 8 7032 1 2.75 2.5253 10.653 62 8 7034 1 2.80 3.0178 10.599 62 8 7035 1 2.72 2.6605 10.875 62 8 7036 1 3.00 2.8070 10.889 62 8 7037 1 2.85 2.8153 10.542 62 8 7039 1 2.54 2.9581 10.877 62 8 7047 1 2.94 2.4118 10.878 62 8 7048 1 2.99 2.8225 10.064 62 8 7049 1 2.77 2.7879 10.924 62 8 7050 1 2.82 2.9510 11.253 62 8 7051 1 2.58 2.6208 11.144 62 8 7052 1 2.95 2.3266 10.261 62 8 7053 1 2.93 2.4475 10.518 62 8 7054 1 2.69 2.9830 10.125 62 8 7055 1 2.71 2.7804 10.310 62 8 7056 1 2.91 2.5751 10.842 62 8 7058 1 2.89 2.6991 11.086 62 8 7059 1 2.93 2.3973 10.755 62 8 7066 1 2.65 3.0450 10.565 62 8 7067 1 2.72 2.7847 10.271 62 8 7069 1 2.80 2.7907 9.932 62 8 7070 1 2.97 2.3366 10.233 62 8 7071 1 2.64 2.6561 10.179 62 8 7072 1 2.78 2.5369 9.910 62 8 7105 1 2.97 2.6960 10.303 62 8 7107 1 2.88 2.7683 9.857 62 8 7109 1 2.88 2.1716 9.898 62 8 7110 1 2.69 2.7177 9.442 62 8 7113 1 2.83 2.5540 10.319 62 8 7115 1 2.62 2.9474 10.473 62 8 7121 1 2.62 2.5813 10.885 62 8 7122 1 2.94 3.0310 10.619 62 8 7163 1 2.57 2.9604 10.194 62 8 7164 1 2.72 3.0482 11.024 62 8 7166 1 2.89 2.4427 10.398 62 8 7167 1 2.90 2.8430 10.530 62 8 7237 1 2.86 2.7912 11.113 62 8 7239 1 2.73 2.7390 10.772 62 8 7240 1 2.93 2.4355 10.368 62 8 7300 1 2.94 2.4241 9.698 62 8 7302 1 2.86 2.5443 9.400 62 8 7303 1 2.89 2.2363 9.348 62 8 7304 1 2.69 2.6384 10.586 62 8 7305 1 2.89 2.4490 10.751 62 8 7459 1 2.74 1.9030 10.363 62 8 8007 1 2.79 2.6401 10.345 62 8 8008 1 2.76 3.1256 9.914 62 8 8013 1 2.96 2.7309 10.773 62 8 8015 1 2.88 2.8221 10.420 62 8 8016 1 2.90 2.7141 10.213 62 8 8017 1 2.95 1.9610 10.943 62 8 8020 1 2.81 2.3885 10.932 62 8 8021 1 2.91 2.4089 10.029 62 8 8022 1 2.82 2.7175 10.241 62 8 8023 1 2.91 2.6966 10.349 62 8 8024 1 2.89 2.3889 10.698 62 8 8026 1 2.77 2.5333 10.499 62 8 8027 1 2.90 2.5566 10.713 62 8 8028 1 2.72 2.0867 10.287 62 8 8029 1 2.74 2.7556 9.990 62 8 8030 1 2.83 2.4965 10.420 62 8 8031 1 2.97 2.6428 10.589 62 8 8032 1 2.73 2.8384 10.704 62 8 8037 1 2.96 2.4437 10.254 62 8 8038 1 2.81 2.7267 10.883 62 8 8039 1 2.78 2.1590 10.598 62 8 8041 1 2.82 2.8299 10.533 62 8 8042 1 2.81 2.7866 10.753 62 8 8043 1 2.76 2.7443 10.476 62 8 8050 1 2.85 2.8803 10.449 62 8 8053 1 2.76 2.5882 9.921 62 8 8054 1 2.99 2.4791 10.718 62 8 8055 1 2.90 2.5510 10.126 62 8 8056 1 2.61 2.8490 10.613 62 8 8057 1 2.61 2.5046 10.979 62 8 8058 1 2.79 2.9345 10.472 62 8 8082 1 2.81 2.4566 10.637 62 8 8083 1 2.69 2.6721 10.265 62 8 8085 1 2.88 2.4964 10.394 62 8 8086 1 2.80 2.6098 10.370 62 8 8088 1 2.75 2.4450 10.458 62 8 8186 1 2.87 2.1454 8.539 62 8 8332 1 2.79 2.5338 10.480 62 8 8333 1 2.95 2.6522 10.180 62 8 8334 1 2.82 2.5992 9.366 62 8 8336 1 2.78 2.5268 10.405 62 8 8337 1 2.97 2.1514 10.779 62 8 8338 1 2.85 2.6197 10.472 62 8 8339 1 2.64 2.7380 10.012 62 8 8350 1 2.74 2.5089 10.579 62 8 8361 1 2.82 2.7986 10.390 62 8 8362 1 2.77 2.4989 9.650 62 8 8363 1 2.79 2.5606 10.502 62 8 8365 1 2.87 2.4991 9.779 62 8 8366 1 2.70 2.9660 10.060 62 8 8367 1 2.65 2.7636 10.427 62 8 8368 1 2.79 2.5204 10.102 62 8 8369 1 2.84 2.1929 9.504 62 8 8370 1 2.69 2.7181 9.457 62 8 8371 1 2.96 2.5039 10.254 62 8 8408 1 2.74 2.9313 9.943 62 8 8422 1 2.81 2.4674 9.217 62 8 8425 1 2.97 2.3200 10.119 62 8 8427 1 2.88 2.1197 9.893 62 8 8428 1 2.96 2.8851 9.606 62 8 8431 1 2.96 2.0696 9.401 62 8 8434 1 2.90 2.1126 9.138 62 8 8435 1 2.97 2.4577 9.962 62 8 8436 1 2.92 2.3679 9.392 62 8 8609 1 2.98 2.3206 9.464 62 8 8610 1 2.98 2.0972 9.719 62 8 8620 1 2.73 2.5255 10.030 62 8 8622 1 2.95 2.5683 9.578 62 8 8625 1 2.97 2.6677 10.424 62 8 8626 1 2.82 2.7769 9.042 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 ## Starting information for simulation # 12 62 12 739 1 2.86 2.5545 8.862 62 12 740 1 2.77 2.5419 9.797 62 12 741 1 2.92 2.9239 10.189 62 12 742 1 2.71 2.6517 10.022 62 12 744 1 2.79 2.6572 9.405 62 12 745 1 2.77 2.6826 9.211 62 12 746 1 2.88 2.4260 9.496 62 12 747 1 2.79 2.6116 10.292 62 12 748 1 2.60 2.4381 9.620 62 12 1005 1 2.91 2.6263 9.217 62 12 1035 1 2.84 2.7471 8.933 62 12 1036 1 2.95 2.6098 9.355 62 12 1038 1 2.78 2.6467 8.989 62 12 1039 1 2.68 2.9862 9.234 62 12 1040 1 2.75 2.6118 10.155 62 12 1042 1 2.90 2.6300 9.587 62 12 1044 1 2.88 2.8795 9.294 62 12 1045 1 2.77 2.7289 8.881 62 12 1046 1 2.86 2.7703 9.238 62 12 1047 1 2.73 2.4673 9.836 62 12 1048 1 2.81 2.7587 9.047 62 12 1050 1 2.85 2.5825 9.490 62 12 1129 1 2.97 2.9797 9.395 62 12 1173 1 2.74 2.3514 9.294 62 12 1175 1 2.92 2.3949 10.055 62 12 1177 1 2.83 2.5170 9.573 62 12 1212 1 2.92 2.3209 8.883 62 12 1215 1 2.99 2.4362 8.759 ## Starting information for simulation # 13 ## Starting information for simulation # 14 ## 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 ## Starting information for simulation # 20 ## Starting information for simulation # 21 ## Starting information for simulation # 22 62 22 990 1 2.85 2.9132 10.879 62 22 1771 1 2.98 2.6901 11.242 ## 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 62 28 4870 1 2.77 2.6781 8.799 62 28 5600 1 2.88 1.8427 11.059 62 28 7262 1 2.96 2.3556 8.791 62 28 7355 1 2.97 1.8464 9.649 ## Starting information for simulation # 29 ## Starting information for simulation # 30 ## Starting information for simulation # 31 ## Starting information for simulation # 32 62 32 617 1 2.69 3.0130 12.101 ## Starting information for simulation # 33 ## Starting information for simulation # 34 ## Starting information for simulation # 35 62 35 3110 1 2.77 2.4995 13.271 62 35 3111 1 2.75 2.9457 12.369 62 35 3113 1 2.93 2.6442 12.293 62 35 3114 1 2.69 2.9757 12.504 62 35 3115 1 2.99 2.5901 12.819 62 35 3116 1 2.82 2.7005 12.996 62 35 3117 1 2.79 2.4894 12.668 62 35 3118 1 2.72 2.6246 12.378 62 35 3119 1 2.63 2.7698 12.556 62 35 3120 1 2.65 2.8792 12.954 62 35 3123 1 2.91 2.4169 12.691 62 35 3124 1 2.81 2.5819 12.557 62 35 3125 1 2.79 2.6798 12.571 62 35 3126 1 2.78 2.8023 12.528 62 35 3127 1 2.68 2.7658 12.649 62 35 3128 1 2.99 2.5767 12.987 62 35 3129 1 3.00 2.7736 12.647 62 35 3130 1 2.65 2.9026 12.779 62 35 4702 1 2.70 3.0507 12.347 62 35 4703 1 2.77 3.0439 12.422 62 35 4704 1 2.61 2.6181 12.475 62 35 4705 1 2.88 2.9121 12.533 62 35 4706 1 2.80 2.4473 11.995 62 35 4708 1 2.75 2.8788 12.671 62 35 4709 1 2.86 2.4536 12.572 62 35 4710 1 2.74 2.3056 12.488 62 35 4713 1 2.68 2.5535 12.361 62 35 4714 1 2.99 2.8687 12.578 62 35 4852 1 2.69 2.9068 12.085 62 35 4853 1 2.73 2.7867 12.210 62 35 4854 1 2.99 2.4172 12.547 62 35 4855 1 2.85 2.1602 12.339 62 35 4856 1 2.76 2.9519 13.021 62 35 4857 1 2.87 2.6177 12.574 62 35 4858 1 2.65 2.8467 12.637 62 35 4859 1 2.68 2.6865 12.762 ## Starting information for simulation # 36