# Bonding information for index 252 -- 0MA_14@O2 0MA_12@H6O 0MA_12@O6 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 252 2 5795 1 2.96 1.9669 10.143 252 2 7168 1 2.80 3.0247 9.288 ## Starting information for simulation # 3 ## Starting information for simulation # 4 ## Starting information for simulation # 5 ## Starting information for simulation # 6 252 6 4102 1 2.71 2.9485 8.787 252 6 4103 1 2.67 2.9061 8.528 252 6 4134 1 2.88 2.6138 9.557 252 6 4137 1 2.61 2.8570 8.348 252 6 4138 1 2.75 2.9429 9.734 ## Starting information for simulation # 7 252 7 2872 1 2.92 2.8706 11.054 252 7 2873 1 2.79 2.9493 9.636 252 7 2875 1 2.82 3.0168 10.479 252 7 2877 1 2.84 3.0627 9.947 252 7 2888 1 2.88 2.8023 11.134 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 252 10 7942 1 3.00 1.9540 6.933 252 10 7976 1 2.87 1.8955 7.637 252 10 8009 1 2.64 2.3501 6.587 252 10 8014 1 2.83 2.1460 6.913 252 10 8056 1 2.90 2.1933 8.128 252 10 8106 1 2.95 2.1418 8.960 252 10 9250 1 2.83 2.0536 10.107 252 10 9900 1 2.95 2.2038 8.648 ## Starting information for simulation # 11 252 11 7376 1 2.60 2.9399 11.986 252 11 7377 1 2.79 2.6929 11.914 252 11 8538 1 2.82 2.3582 12.957 252 11 8541 1 2.96 2.6244 12.876 252 11 8547 1 2.93 2.2887 13.309 252 11 8605 1 2.97 1.8759 12.663 ## Starting information for simulation # 12 ## Starting information for simulation # 13 ## Starting information for simulation # 14 252 14 218 1 2.83 2.8690 11.531 252 14 371 1 2.78 2.6253 11.348 ## Starting information for simulation # 15 252 15 5567 1 2.84 2.8248 12.068 252 15 5568 1 2.58 2.9092 11.705 252 15 5569 1 2.74 3.0460 12.344 252 15 5570 1 2.66 2.7789 12.338 252 15 5571 1 2.81 2.6773 12.104 ## 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 # 22 252 22 105 1 2.79 2.7107 12.144 252 22 4951 1 2.65 2.6221 12.897 252 22 4952 1 2.66 2.9085 12.946 252 22 4953 1 2.62 2.6926 13.302 252 22 5643 1 2.76 3.0147 13.148 252 22 5652 1 2.74 2.7899 13.014 252 22 8150 1 2.62 2.5505 12.750 252 22 8451 1 2.57 2.9573 12.478 252 22 8452 1 2.67 2.4837 12.899 252 22 8475 1 2.74 2.4070 13.095 252 22 8483 1 2.78 2.9580 12.626 252 22 8519 1 2.70 2.9042 12.560 252 22 8520 1 2.78 2.4804 12.813 252 22 8521 1 2.69 2.9029 12.897 252 22 8522 1 2.70 3.0781 12.743 252 22 8591 1 2.82 2.6774 13.119 252 22 8641 1 2.71 2.7628 13.191 252 22 8642 1 2.88 2.8698 12.838 252 22 8680 1 2.90 1.7495 13.003 ## Starting information for simulation # 23 ## Starting information for simulation # 24 ## Starting information for simulation # 25 ## Starting information for simulation # 26 252 26 8726 1 2.99 1.9109 11.013 252 26 8728 1 2.79 2.7587 11.078 252 26 8733 1 2.94 1.8767 11.000 252 26 9411 1 2.76 2.9506 12.235 ## Starting information for simulation # 27 ## Starting information for simulation # 28 ## Starting information for simulation # 29 252 29 646 1 2.65 3.0630 13.611 252 29 648 1 2.91 2.1442 13.094 252 29 649 1 2.97 2.3584 13.329 252 29 654 1 2.96 2.2926 14.165 252 29 655 1 2.99 2.3064 13.750 252 29 656 1 2.88 2.0829 13.335 252 29 658 1 2.71 2.7913 13.100 252 29 675 1 2.97 1.8754 13.317 252 29 980 1 2.97 2.4431 11.942 252 29 990 1 2.90 2.4618 12.725 252 29 1011 1 2.96 2.2285 13.511 252 29 1012 1 2.95 2.6911 13.094 252 29 1015 1 2.83 2.8840 13.105 252 29 1016 1 2.72 2.4602 12.776 252 29 5700 1 2.66 2.7822 13.477 252 29 5701 1 2.89 2.6417 13.541 252 29 5702 1 2.93 2.8959 13.575 252 29 5703 1 2.71 2.6330 13.390 252 29 5704 1 2.75 2.9593 13.222 252 29 5705 1 2.96 2.8739 12.900 252 29 5716 1 2.82 2.8977 13.015 252 29 5726 1 2.89 2.9256 13.360 252 29 5768 1 2.93 2.7517 12.900 252 29 5809 1 2.90 2.5768 13.965 252 29 5811 1 2.64 2.2951 13.612 252 29 5829 1 2.97 1.9145 12.576 252 29 5932 1 2.85 2.8718 13.264 252 29 5933 1 2.79 2.5643 13.602 252 29 5934 1 2.70 2.8377 13.211 252 29 5938 1 2.74 2.8500 13.521 252 29 5939 1 2.66 2.8293 13.386 252 29 5940 1 2.86 2.4009 13.207 252 29 6001 1 2.84 2.7474 12.415 ## Starting information for simulation # 30 ## Starting information for simulation # 31 ## Starting information for simulation # 32 ## Starting information for simulation # 33 ## Starting information for simulation # 34 252 34 5535 1 2.78 2.8585 12.695 252 34 6071 1 2.87 2.8091 12.716 252 34 6075 1 2.79 2.7955 13.341 252 34 6076 1 2.90 2.4675 12.553 252 34 6096 1 2.84 2.8160 12.187 252 34 7949 1 2.76 3.1253 12.247 252 34 8330 1 2.99 2.4813 13.022 252 34 9073 1 2.78 2.9368 11.821 252 34 9856 1 2.73 2.9055 11.068 252 34 9867 1 2.74 3.0583 11.504 252 34 9868 1 2.64 2.4013 11.808 252 34 9869 1 2.95 2.2011 12.109 252 34 9882 1 2.69 2.7277 11.183 252 34 9883 1 2.84 2.8393 11.742 252 34 9897 1 2.83 3.0344 12.717 ## Starting information for simulation # 35 252 35 320 1 2.73 2.6914 12.295 ## Starting information for simulation # 36 252 36 135 1 2.58 3.0471 9.380 252 36 360 1 2.98 2.9965 8.588 252 36 361 1 2.90 2.6798 7.776 252 36 362 1 2.90 2.1992 7.525 252 36 368 1 2.82 2.6493 7.202 252 36 374 1 2.73 2.8156 7.948 252 36 380 1 2.89 2.6288 7.213 252 36 381 1 2.73 2.8978 7.388 252 36 382 1 2.80 2.5259 8.215 252 36 383 1 2.77 2.8992 8.240 252 36 384 1 2.81 2.9644 8.345 252 36 385 1 2.90 2.9568 8.947 252 36 386 1 2.72 2.8565 9.267 252 36 387 1 2.88 2.9983 9.754 252 36 390 1 2.80 2.7281 9.895 252 36 391 1 2.95 2.9254 9.762 252 36 392 1 2.69 2.7981 9.499 252 36 394 1 2.58 2.8910 9.993 252 36 395 1 2.95 2.8409 9.831 252 36 396 1 2.79 2.9519 10.129 252 36 397 1 2.81 2.9864 9.683 252 36 398 1 2.73 2.8158 9.717 252 36 399 1 2.83 2.9739 9.501 252 36 3622 1 2.71 2.6468 8.535