# Bonding information for index 354 -- 0MA_14@O6 0MA_15@H2O 0MA_15@O2 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 354 2 6442 1 2.64 2.7697 9.841 354 2 6443 1 2.92 2.6928 9.710 ## Starting information for simulation # 3 354 3 1041 1 2.94 2.8303 10.660 354 3 1043 1 2.73 2.8195 9.966 354 3 1044 1 2.78 2.7026 9.854 354 3 1045 1 2.82 2.2505 9.543 354 3 1046 1 2.82 2.3587 9.617 354 3 1047 1 2.75 2.7687 10.361 354 3 1082 1 3.00 2.6115 10.369 354 3 4311 1 2.68 2.6746 11.770 354 3 4312 1 2.89 2.6342 11.200 354 3 4948 1 2.97 2.4461 12.476 354 3 4993 1 2.96 2.3488 12.608 ## Starting information for simulation # 4 ## Starting information for simulation # 5 ## Starting information for simulation # 6 ## Starting information for simulation # 7 354 7 8477 1 2.87 2.8383 10.601 354 7 8478 1 2.85 2.5277 11.527 354 7 8652 1 2.74 2.3051 10.051 354 7 8654 1 2.79 2.7616 9.792 354 7 8655 1 2.89 3.0777 10.357 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 354 10 8266 1 2.85 2.4231 6.893 ## Starting information for simulation # 11 ## Starting information for simulation # 12 354 12 9840 1 2.60 2.9110 6.716 354 12 9842 1 2.87 2.4060 6.039 354 12 9843 1 2.95 2.9216 6.558 354 12 9844 1 2.77 2.6675 6.498 354 12 9845 1 2.81 2.7571 6.202 354 12 9846 1 2.88 2.8120 6.223 354 12 9847 1 2.89 2.6670 6.262 ## Starting information for simulation # 13 ## Starting information for simulation # 14 ## Starting information for simulation # 15 354 15 9135 1 2.82 2.5616 11.397 ## Starting information for simulation # 16 ## Starting information for simulation # 17 ## Starting information for simulation # 18 ## Starting information for simulation # 19 ## Starting information for simulation # 20 354 20 8418 1 2.66 2.8346 6.425 354 20 8649 1 2.79 2.9064 9.236 354 20 9141 1 2.91 2.8317 8.602 354 20 9142 1 2.84 2.7388 9.093 354 20 9205 1 3.00 2.2965 8.816 354 20 9206 1 2.78 2.8076 8.733 354 20 9207 1 2.70 2.7246 8.968 354 20 9244 1 2.94 2.7202 9.015 354 20 9245 1 2.73 2.6342 8.623 354 20 9246 1 2.68 3.0563 8.697 354 20 9248 1 2.84 3.0744 8.672 354 20 9249 1 2.79 2.5807 8.805 354 20 9250 1 3.00 2.4570 9.028 354 20 9251 1 2.81 2.8430 8.403 354 20 9252 1 2.82 2.4883 9.035 354 20 9254 1 2.87 3.0103 8.913 354 20 9255 1 2.63 2.6586 8.715 354 20 9256 1 2.95 2.7968 8.907 354 20 9258 1 2.68 3.0936 8.914 354 20 9321 1 2.70 2.6813 8.808 354 20 9322 1 2.78 2.9206 9.158 ## Starting information for simulation # 21 354 21 3503 1 2.86 2.7440 6.431 354 21 3504 1 2.82 2.5969 6.250 354 21 3707 1 2.73 3.0437 6.740 354 21 3709 1 2.93 2.7003 6.760 354 21 3713 1 2.93 2.4128 6.146 354 21 3719 1 2.87 2.4192 6.264 354 21 3720 1 2.79 3.0864 6.577 354 21 3721 1 2.96 2.8777 6.930 354 21 3722 1 2.73 2.4943 6.545 354 21 3723 1 2.81 2.5938 6.665 354 21 3724 1 2.75 3.1270 6.721 354 21 3725 1 2.85 2.8641 6.636 354 21 3726 1 2.81 2.8775 6.226 354 21 3727 1 2.89 2.1380 5.897 354 21 3771 1 2.91 3.0482 6.101 354 21 3772 1 2.65 2.6465 6.630 ## Starting information for simulation # 22 ## Starting information for simulation # 23 354 23 3961 1 2.77 2.7781 11.114 354 23 3962 1 2.83 2.3782 10.546 354 23 3964 1 2.68 2.7074 10.294 354 23 3965 1 2.55 2.9794 10.458 354 23 3967 1 2.95 2.2121 10.401 354 23 3969 1 2.65 3.0365 10.132 354 23 3970 1 2.95 2.7633 10.646 354 23 3971 1 2.79 2.4761 9.801 354 23 3975 1 2.98 2.8996 10.116 354 23 4006 1 2.88 2.7430 9.344 354 23 4025 1 2.82 1.9372 10.403 354 23 4041 1 2.94 2.1645 10.738 354 23 4145 1 2.78 2.5359 10.013 354 23 4200 1 2.75 2.2743 9.466 354 23 4202 1 2.96 2.8614 10.279 354 23 4203 1 2.92 2.7960 9.972 354 23 4341 1 2.64 2.7074 10.300 354 23 4347 1 2.82 2.9269 9.441 354 23 4348 1 2.77 2.6371 9.632 354 23 4351 1 2.97 2.9600 9.957 354 23 4353 1 2.90 2.7161 10.539 354 23 4354 1 2.67 2.7006 9.381 354 23 4355 1 2.68 2.8718 9.523 354 23 4356 1 2.68 2.7952 9.969 354 23 4359 1 2.64 2.7254 10.102 354 23 4426 1 2.78 2.9585 10.514 354 23 4427 1 2.88 2.8313 10.340 354 23 4429 1 2.87 2.6187 10.930 354 23 4463 1 2.93 1.9928 11.332 354 23 4466 1 2.88 2.1571 10.235 354 23 4467 1 2.80 2.6820 10.558 354 23 4474 1 2.98 2.7710 9.925 354 23 4475 1 2.99 2.1418 10.489 354 23 4486 1 2.70 2.3014 9.841 354 23 4490 1 2.99 1.9518 11.235 354 23 4491 1 2.91 2.1015 11.189 354 23 4492 1 2.92 1.7887 10.341 354 23 4493 1 2.83 2.8595 10.390 354 23 4495 1 2.71 2.7824 10.666 354 23 4527 1 2.81 2.6857 10.053 354 23 4558 1 2.61 2.7856 10.887 354 23 4569 1 2.93 2.8622 9.706 354 23 4570 1 2.80 2.6307 10.208 354 23 4577 1 2.94 2.6682 10.287 354 23 4596 1 2.96 1.7678 10.932 354 23 4597 1 2.85 2.2401 10.147 354 23 4600 1 2.79 3.1028 10.386 354 23 4606 1 2.91 1.7604 10.660 354 23 4619 1 2.87 2.1932 10.873 354 23 4620 1 2.96 2.1604 10.101 354 23 4678 1 2.87 2.5866 11.357 354 23 4679 1 2.94 2.1245 11.089 354 23 4682 1 2.73 2.7598 11.048 354 23 4683 1 2.59 3.0389 10.852 354 23 4684 1 2.80 2.7042 11.808 354 23 4697 1 2.83 2.5192 12.370 354 23 4703 1 2.75 2.9583 11.261 354 23 4724 1 2.77 3.0421 10.753 354 23 4727 1 2.88 2.7884 10.645 354 23 4728 1 2.98 2.8481 11.020 354 23 4730 1 2.69 2.8000 10.488 354 23 4815 1 2.87 2.2279 11.831 354 23 4817 1 2.89 2.8990 11.461 354 23 4819 1 2.85 2.3731 10.815 354 23 4820 1 2.92 2.6927 10.902 354 23 4821 1 2.96 1.9467 11.108 354 23 4822 1 2.99 3.0020 10.882 354 23 4848 1 2.95 2.9863 10.984 354 23 4854 1 2.98 2.1357 10.468 354 23 4855 1 2.88 1.9412 10.863 354 23 4857 1 2.66 2.9570 10.768 354 23 4858 1 2.81 2.6652 10.760 354 23 4859 1 2.79 2.2133 11.120 354 23 4863 1 2.97 2.1180 10.680 354 23 4958 1 2.99 2.4121 11.555 354 23 4962 1 2.77 2.2249 11.645 ## Starting information for simulation # 24 354 24 4642 1 2.65 3.0321 10.926 354 24 4645 1 2.79 2.9379 10.879 354 24 4646 1 2.83 2.2518 11.582 354 24 4651 1 2.83 2.4549 11.180 ## Starting information for simulation # 25 354 25 6003 1 2.87 2.3476 10.942 354 25 8483 1 2.69 2.8438 12.450 354 25 8490 1 2.99 1.9172 12.485 ## Starting information for simulation # 26 ## Starting information for simulation # 27 354 27 8193 1 2.88 2.4983 11.744 354 27 8194 1 2.82 2.8408 12.184 354 27 8195 1 3.00 2.4048 11.409 ## 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 # 33 354 33 5481 1 2.83 2.4286 10.348 354 33 6091 1 2.78 3.0174 12.749 354 33 6093 1 2.82 2.0348 11.910 ## Starting information for simulation # 34 ## Starting information for simulation # 35 ## Starting information for simulation # 36