# Bonding information for index 331 -- 0MA_14@O5 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 ## Starting information for simulation # 3 ## Starting information for simulation # 4 ## Starting information for simulation # 5 ## Starting information for simulation # 6 ## Starting information for simulation # 7 331 7 8424 1 2.98 2.2187 10.603 331 7 9015 1 2.98 2.4748 11.831 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 ## Starting information for simulation # 12 ## 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 # 21 331 21 3505 1 2.83 2.8475 6.345 331 21 3507 1 2.89 2.6696 6.610 331 21 3510 1 2.80 3.0026 6.336 331 21 3712 1 2.89 2.5223 6.493 ## Starting information for simulation # 22 ## Starting information for simulation # 23 331 23 3956 1 2.97 2.7314 9.807 331 23 3957 1 2.87 2.7964 9.607 331 23 3960 1 2.92 2.0004 10.702 331 23 3963 1 2.68 2.7062 10.357 331 23 3974 1 2.98 2.3847 10.773 331 23 3981 1 2.62 3.0355 9.566 331 23 3987 1 2.75 2.6452 10.450 331 23 3991 1 2.94 2.6910 9.743 331 23 3992 1 2.61 2.3576 10.077 331 23 3998 1 2.92 2.8092 9.112 331 23 3999 1 2.66 2.5613 9.923 331 23 4001 1 2.64 2.7155 9.188 331 23 4002 1 2.61 2.9143 9.727 331 23 4003 1 2.95 2.8793 9.387 331 23 4004 1 2.80 2.4941 9.228 331 23 4006 1 2.96 2.0482 9.344 331 23 4007 1 2.98 1.9733 9.503 331 23 4020 1 2.69 2.7526 10.234 331 23 4021 1 2.91 2.7506 10.296 331 23 4022 1 2.87 2.8604 10.476 331 23 4023 1 2.73 2.1811 10.414 331 23 4024 1 2.86 2.8637 10.150 331 23 4025 1 2.93 2.6712 10.403 331 23 4026 1 2.99 2.5904 10.352 331 23 4028 1 2.90 3.0346 10.208 331 23 4029 1 2.77 2.1945 10.149 331 23 4030 1 2.62 2.9524 10.077 331 23 4032 1 2.91 2.8024 10.138 331 23 4034 1 2.88 2.1592 9.878 331 23 4035 1 2.65 2.9425 9.792 331 23 4036 1 2.58 2.8217 10.456 331 23 4037 1 2.77 2.9637 10.514 331 23 4041 1 3.00 2.6456 10.738 331 23 4042 1 2.91 2.4795 10.327 331 23 4118 1 2.78 2.3410 10.120 331 23 4136 1 2.92 2.6005 10.316 331 23 4146 1 2.80 2.9009 9.949 331 23 4156 1 2.81 3.0057 9.936 331 23 4201 1 2.76 2.9003 9.874 331 23 4203 1 2.92 1.8257 9.972 331 23 4210 1 2.76 2.8801 9.762 331 23 4213 1 2.94 2.8580 10.140 331 23 4214 1 2.78 2.3076 10.165 331 23 4223 1 2.93 2.0993 9.996 331 23 4226 1 2.86 2.9882 10.500 331 23 4230 1 2.61 2.9784 9.889 331 23 4233 1 2.99 2.4756 9.645 331 23 4234 1 2.79 3.0094 9.747 331 23 4238 1 2.79 2.7360 9.721 331 23 4245 1 2.87 2.2392 10.565 331 23 4329 1 2.92 2.3380 10.034 331 23 4345 1 2.74 2.1027 9.910 331 23 4351 1 2.87 1.8647 9.957 331 23 4352 1 2.70 2.6960 9.301 331 23 4355 1 2.93 1.8904 9.523 331 23 4358 1 2.75 2.5108 9.425 331 23 4360 1 2.70 3.0617 9.176 331 23 4361 1 2.82 2.7450 9.386 331 23 4367 1 2.89 3.0268 9.837 331 23 4424 1 2.90 2.3363 10.366 331 23 4428 1 2.77 2.7677 10.470 331 23 4433 1 2.86 2.6074 10.238 331 23 4435 1 2.78 3.0484 10.491 331 23 4462 1 2.98 2.9510 10.898 331 23 4463 1 2.73 2.5650 11.332 331 23 4464 1 2.67 2.7198 11.003 331 23 4466 1 2.90 2.5146 10.235 331 23 4468 1 2.99 2.7592 10.199 331 23 4469 1 2.87 2.5913 10.203 331 23 4473 1 2.83 2.4830 10.556 331 23 4475 1 2.94 2.6759 10.489 331 23 4489 1 2.86 2.5283 9.950 331 23 4490 1 2.69 2.3203 11.235 331 23 4491 1 2.79 2.6404 11.189 331 23 4492 1 2.68 2.8655 10.341 331 23 4493 1 2.82 1.8890 10.390 331 23 4494 1 2.81 2.8816 10.739 331 23 4524 1 2.93 2.2271 10.027 331 23 4525 1 2.99 2.7440 9.776 331 23 4526 1 2.92 2.7511 10.193 331 23 4527 1 2.95 2.0993 10.053 331 23 4531 1 2.79 2.5590 10.621 331 23 4532 1 3.00 2.7094 11.000 331 23 4533 1 2.73 2.9017 11.257 331 23 4534 1 2.96 2.7250 10.545 331 23 4560 1 2.83 2.4583 10.405 331 23 4561 1 2.80 2.3563 10.400 331 23 4568 1 2.78 3.0982 10.822 331 23 4572 1 2.78 2.8941 10.735 331 23 4573 1 2.78 2.5021 10.220 331 23 4576 1 2.70 2.6178 10.080 331 23 4577 1 2.95 2.2452 10.287 331 23 4578 1 2.50 2.9940 9.864 331 23 4583 1 2.84 2.0110 10.531 331 23 4584 1 2.73 2.6791 10.780 331 23 4585 1 2.86 2.8827 10.715 331 23 4586 1 2.97 2.4659 10.375 331 23 4587 1 2.88 2.6098 10.618 331 23 4594 1 2.75 2.9831 10.202 331 23 4595 1 3.00 3.0504 10.478 331 23 4596 1 2.64 2.9552 10.932 331 23 4597 1 2.78 2.3974 10.147 331 23 4598 1 2.75 2.7696 10.681 331 23 4599 1 2.63 2.6670 10.447 331 23 4601 1 2.66 2.3577 9.781 331 23 4602 1 2.75 2.8004 10.833 331 23 4603 1 2.63 2.6468 10.415 331 23 4606 1 2.64 2.8899 10.660 331 23 4610 1 2.88 2.7159 10.763 331 23 4619 1 2.93 2.4695 10.873 331 23 4623 1 2.67 2.9059 10.619 331 23 4674 1 2.95 2.5710 10.592 331 23 4679 1 2.87 2.6263 11.089 331 23 4680 1 2.82 3.0333 10.973 331 23 4681 1 2.63 2.2655 10.159 331 23 4682 1 2.90 2.0258 11.048 331 23 4684 1 2.90 1.9581 11.808 331 23 4685 1 2.73 2.5478 10.887 331 23 4686 1 2.84 2.8402 11.167 331 23 4697 1 2.77 2.1821 12.370 331 23 4704 1 2.88 2.8123 11.484 331 23 4705 1 2.94 2.2178 11.399 331 23 4709 1 2.69 2.9531 10.704 331 23 4710 1 2.71 3.0475 10.317 331 23 4723 1 2.77 2.9134 10.971 331 23 4725 1 2.71 3.0268 10.763 331 23 4726 1 2.95 3.0337 10.334 331 23 4729 1 2.91 2.2621 10.847 331 23 4731 1 2.89 2.2293 10.810 331 23 4732 1 2.87 2.6885 10.905 331 23 4738 1 2.67 2.7132 11.204 331 23 4740 1 2.73 2.6588 11.047 331 23 4741 1 2.75 2.7782 10.840 331 23 4743 1 2.85 2.3237 10.874 331 23 4744 1 2.56 2.5769 10.723 331 23 4747 1 2.78 1.9595 11.137 331 23 4753 1 2.57 3.0343 10.675 331 23 4754 1 2.97 1.9516 11.300 331 23 4762 1 2.76 2.8630 10.453 331 23 4803 1 2.89 2.5734 10.505 331 23 4816 1 2.63 2.8205 11.932 331 23 4817 1 2.86 1.9355 11.461 331 23 4820 1 2.87 1.9208 10.902 331 23 4821 1 2.69 2.7736 11.108 331 23 4841 1 2.75 3.0424 10.477 331 23 4847 1 2.81 2.2873 10.523 331 23 4854 1 2.97 2.6801 10.468 331 23 4855 1 2.66 2.8418 10.863 331 23 4858 1 2.84 2.1610 10.760 331 23 4859 1 2.89 2.3921 11.120 331 23 4860 1 2.75 2.8203 10.898 331 23 4862 1 3.00 2.4507 10.600 331 23 4863 1 2.69 2.5952 10.680 331 23 4864 1 2.84 2.4413 10.986 331 23 4948 1 2.95 2.9816 10.730 331 23 4957 1 2.98 1.8373 11.272 331 23 4959 1 2.89 2.7207 11.007 331 23 4962 1 2.93 2.6009 11.645 ## Starting information for simulation # 24 331 24 4650 1 2.88 3.0248 11.179 331 24 6965 1 2.73 2.4475 11.545 ## Starting information for simulation # 25 331 25 5379 1 2.92 2.9686 10.418 ## Starting information for simulation # 26 ## Starting information for simulation # 27 ## 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 # 33 331 33 5552 1 2.66 2.6553 12.588 ## Starting information for simulation # 34 ## Starting information for simulation # 35 ## Starting information for simulation # 36