# Bonding information for index 503 -- ACE_1@O 0MA_14@H4O 0MA_14@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 ## Starting information for simulation # 5 ## Starting information for simulation # 6 503 6 5731 2 2.97 2.2290 11.485 503 6 7886 2 2.82 2.4431 10.664 ## Starting information for simulation # 7 503 7 7070 2 2.92 1.8685 11.081 ## Starting information for simulation # 8 ## Starting information for simulation # 9 503 9 1486 2 2.86 2.6926 11.181 ## Starting information for simulation # 10 ## Starting information for simulation # 11 503 11 2061 2 2.79 2.7588 12.305 503 11 2064 2 2.93 2.2495 12.159 503 11 2084 2 2.93 2.3482 12.174 503 11 2085 2 2.74 2.5921 12.249 503 11 2086 2 2.88 2.5558 11.972 503 11 2095 2 3.00 2.3296 12.179 503 11 2101 2 2.72 2.6491 12.073 503 11 2104 2 2.83 1.8536 13.000 ## Starting information for simulation # 12 ## Starting information for simulation # 13 503 13 1622 2 2.82 2.2416 11.181 503 13 1626 2 2.88 2.4472 11.111 503 13 1661 2 2.84 2.5937 10.970 503 13 1665 2 2.68 2.7355 11.678 503 13 1674 2 3.00 1.9990 11.818 503 13 1677 2 2.92 1.7913 11.685 503 13 1788 2 2.89 2.4380 11.265 503 13 1807 2 2.74 2.3191 10.143 503 13 1815 2 2.79 2.8261 11.065 ## Starting information for simulation # 14 503 14 8755 2 2.98 2.6712 8.481 503 14 9130 2 2.51 2.8331 9.870 503 14 9131 2 2.52 2.7501 9.740 503 14 9133 2 2.91 2.2899 9.585 503 14 9148 2 2.64 2.4670 10.696 ## Starting information for simulation # 15 503 15 52 2 2.99 2.5701 11.730 503 15 53 2 2.63 2.4938 11.843 503 15 54 2 2.69 2.6370 12.370 503 15 68 2 2.93 2.5486 12.065 503 15 69 2 2.66 2.8011 12.550 503 15 70 2 2.79 2.9309 11.772 503 15 72 2 2.79 2.7960 11.779 503 15 73 2 2.96 2.2760 11.883 503 15 74 2 2.84 2.9453 11.683 503 15 135 2 2.83 2.5284 12.091 503 15 137 2 2.79 3.0246 12.264 503 15 138 2 2.88 2.5096 11.734 503 15 140 2 2.86 2.7924 11.689 503 15 144 2 2.61 2.8162 12.497 503 15 145 2 2.66 3.0628 12.165 503 15 146 2 2.85 2.9960 12.599 503 15 152 2 2.86 2.4824 12.039 503 15 153 2 2.96 2.9895 12.106 503 15 154 2 2.99 2.8228 11.440 503 15 155 2 2.80 2.8323 12.546 503 15 156 2 2.78 2.5837 12.012 503 15 157 2 2.82 2.6047 12.366 503 15 164 2 2.68 2.8132 12.375 503 15 165 2 2.93 2.0990 11.289 503 15 166 2 2.71 2.9486 11.644 503 15 170 2 2.83 2.2765 12.919 ## Starting information for simulation # 16 ## Starting information for simulation # 17 ## Starting information for simulation # 18 ## Starting information for simulation # 19 503 19 2678 2 2.88 2.7388 10.802 503 19 2697 2 2.96 2.6914 10.700 503 19 5662 2 2.98 3.0143 12.724 503 19 5663 2 2.87 3.0164 12.071 503 19 5664 2 2.69 2.6399 12.250 503 19 5668 2 2.78 2.5679 12.579 503 19 5669 2 2.58 2.9064 12.470 503 19 5670 2 2.70 3.0246 12.634 503 19 5671 2 2.69 2.8215 13.076 503 19 5672 2 2.75 3.0999 13.080 503 19 5673 2 2.59 2.9916 12.333 503 19 5674 2 2.61 3.0452 12.702 503 19 5675 2 2.67 2.9884 12.878 503 19 5676 2 2.74 2.6529 12.292 503 19 5678 2 2.71 2.9705 12.698 503 19 5679 2 2.70 2.7685 12.457 503 19 5680 2 2.82 2.5965 12.767 503 19 5681 2 2.87 2.7090 12.488 503 19 5682 2 2.55 2.8058 12.498 503 19 5683 2 2.70 2.8212 12.983 503 19 5684 2 2.76 2.4917 12.610 503 19 5687 2 2.88 2.6929 12.778 503 19 5692 2 2.75 2.7193 12.316 503 19 5694 2 2.72 2.8186 12.700 503 19 5695 2 2.67 2.9095 12.243 503 19 5696 2 2.60 3.0051 12.574 503 19 5697 2 2.78 2.9246 11.652 503 19 5700 2 2.68 2.7358 12.040 503 19 5701 2 2.68 2.7883 12.099 503 19 5702 2 2.81 2.8826 12.000 503 19 5703 2 2.83 2.8173 12.010 503 19 5704 2 2.68 2.7388 12.019 503 19 5705 2 2.66 2.8143 12.378 503 19 5706 2 2.77 2.5518 12.054 503 19 5707 2 2.89 2.8920 12.003 503 19 5708 2 2.59 2.6403 11.948 503 19 5710 2 2.91 2.5418 11.717 503 19 5711 2 2.67 2.3598 11.897 503 19 5712 2 2.81 2.7632 11.337 503 19 6800 2 2.78 2.0602 7.902 503 19 7005 2 2.80 2.7582 9.557 503 19 7076 2 2.70 2.8040 11.168 503 19 7078 2 2.50 2.7044 9.314 ## Starting information for simulation # 20 ## Starting information for simulation # 21 ## Starting information for simulation # 22 ## Starting information for simulation # 23 503 23 9687 2 2.85 2.5007 10.524 ## Starting information for simulation # 24 ## Starting information for simulation # 25 503 25 387 2 2.90 2.4625 11.391 503 25 388 2 2.74 2.9055 11.019 503 25 389 2 2.68 2.7709 11.534 503 25 392 2 3.00 2.2331 11.531 ## Starting information for simulation # 26 ## Starting information for simulation # 27 503 27 3996 2 2.97 2.7515 10.075 503 27 3998 2 2.78 3.0662 10.039 503 27 4000 2 2.60 2.9303 10.100 503 27 4001 2 2.79 2.7499 10.008 503 27 4002 2 2.72 2.7585 9.705 503 27 4003 2 2.76 2.7473 9.728 503 27 4004 2 2.72 3.0879 9.401 503 27 4005 2 2.82 2.9618 9.511 503 27 4011 2 2.57 2.7557 10.144 503 27 4012 2 2.70 2.6839 9.496 503 27 4013 2 2.63 2.7662 9.752 503 27 4017 2 2.83 2.2812 9.740 503 27 4018 2 2.64 2.8104 9.777 503 27 4019 2 2.48 2.7985 9.771 503 27 4020 2 2.63 3.0084 9.066 503 27 4021 2 2.57 2.9722 9.090 503 27 4022 2 2.60 2.7691 9.005 503 27 4023 2 2.85 2.7506 9.717 503 27 4024 2 2.87 2.8034 9.042 503 27 4025 2 2.67 2.8359 9.795 503 27 4026 2 2.59 3.1394 9.579 503 27 4028 2 2.64 2.8985 9.046 503 27 4029 2 2.73 2.9354 8.711 503 27 4030 2 2.64 2.8440 9.128 503 27 4031 2 2.93 2.5494 9.121 503 27 4032 2 2.50 2.5925 8.965 503 27 4034 2 2.67 2.7623 9.612 503 27 4035 2 2.57 2.8500 10.229 503 27 4036 2 2.61 2.8119 9.922 503 27 4037 2 2.67 2.6034 9.244 503 27 4038 2 2.70 2.9241 9.399 ## Starting information for simulation # 28 ## Starting information for simulation # 29 503 29 2731 2 2.95 2.0921 13.183 503 29 2747 2 2.98 2.1408 12.501 503 29 2759 2 2.89 2.5399 12.467 503 29 2760 2 2.70 2.6236 12.073 503 29 2836 2 2.85 2.9693 12.056 503 29 2840 2 2.69 2.9640 12.218 503 29 2869 2 2.92 2.8134 12.349 503 29 2872 2 2.91 2.6399 11.934 ## Starting information for simulation # 30 ## Starting information for simulation # 31 ## Starting information for simulation # 32 ## Starting information for simulation # 33 503 33 6702 2 2.90 2.3053 11.003 503 33 7498 2 2.92 2.0915 8.482 503 33 7516 2 2.90 2.2986 9.632 503 33 7534 2 2.64 1.8243 9.174 ## Starting information for simulation # 34 503 34 1412 2 2.66 3.0167 13.479 ## Starting information for simulation # 35 503 35 1422 2 2.81 3.0598 12.622 503 35 1423 2 2.86 2.7873 12.551 503 35 1424 2 2.88 2.8468 12.731 503 35 1425 2 2.84 2.2691 12.539 503 35 1426 2 2.68 2.7225 12.494 503 35 1427 2 2.59 2.7898 12.843 503 35 1428 2 2.73 2.6276 12.576 503 35 1430 2 2.88 2.4016 12.528 503 35 1435 2 2.79 2.9565 13.386 503 35 1436 2 2.66 2.8924 13.004 503 35 1437 2 2.67 2.4692 12.900 503 35 1439 2 2.68 2.6465 13.122 503 35 1440 2 2.60 2.6300 12.615 503 35 1441 2 2.95 2.8783 12.913 503 35 1442 2 2.73 2.9682 12.881 503 35 1443 2 2.80 2.6612 12.492 503 35 1444 2 2.63 2.9110 12.543 503 35 1445 2 2.66 2.6101 12.810 503 35 1446 2 2.86 2.6648 12.591 503 35 1447 2 2.77 2.6995 12.818 503 35 1448 2 2.68 2.8520 12.515 503 35 1449 2 2.85 2.8648 12.646 503 35 1450 2 2.67 2.9836 12.706 503 35 1451 2 2.88 3.0538 12.696 503 35 1452 2 2.60 2.6075 12.156 503 35 1453 2 2.72 2.9976 12.655 503 35 1454 2 2.62 2.8603 12.690 503 35 1455 2 2.82 2.8839 12.566 503 35 1456 2 2.79 2.7814 12.780 503 35 1457 2 2.74 2.9629 12.911 503 35 1462 2 2.79 2.8256 12.901 503 35 1464 2 2.70 3.0974 12.895 503 35 1466 2 2.70 2.9051 12.591 503 35 1468 2 2.82 2.9586 12.544 503 35 1470 2 2.94 2.7684 12.848 503 35 1471 2 2.56 2.7374 13.047 503 35 1472 2 2.73 2.6498 12.714 503 35 1476 2 2.72 2.7920 12.801 503 35 1477 2 2.87 2.7020 12.498 503 35 1479 2 2.82 2.5479 12.830 503 35 1480 2 2.71 2.9652 13.069 503 35 1481 2 2.93 3.0482 12.616 503 35 1482 2 2.66 2.7018 12.800 503 35 1483 2 2.73 2.9272 12.556 503 35 1484 2 2.88 2.8675 12.776 503 35 1485 2 2.80 2.8456 12.316 503 35 1486 2 2.63 2.5518 12.687 503 35 1487 2 2.84 2.8183 12.822 503 35 1488 2 2.77 2.7792 12.763 503 35 1490 2 2.70 2.5966 12.672 503 35 1491 2 2.79 2.9715 12.984 503 35 1492 2 2.78 2.8184 13.202 503 35 1495 2 2.76 3.0447 12.685 503 35 1497 2 2.88 2.6358 12.628 503 35 1498 2 2.73 2.8047 12.656 503 35 1499 2 2.78 2.7300 12.313 503 35 1500 2 2.65 2.6563 12.478 503 35 1501 2 2.91 2.7525 12.502 503 35 1502 2 2.78 2.8126 12.804 503 35 1503 2 2.77 2.9956 12.875 503 35 1504 2 2.88 2.8921 12.582 503 35 1505 2 2.68 2.9760 12.582 503 35 1506 2 2.86 2.9368 12.909 503 35 1508 2 2.82 2.7318 12.968 503 35 3607 2 2.78 2.4341 13.212 503 35 3608 2 2.86 2.8489 13.507 503 35 3609 2 2.98 2.9318 12.901 503 35 3610 2 2.60 2.8529 13.459 ## Starting information for simulation # 36 503 36 415 2 2.96 2.2520 9.326 503 36 420 2 2.98 2.3027 10.760 503 36 421 2 2.90 2.9496 10.454 503 36 422 2 2.71 3.0081 10.656 503 36 424 2 2.66 3.1150 10.680 503 36 425 2 2.59 2.9895 10.426 503 36 426 2 2.56 2.9752 10.509 503 36 427 2 2.70 3.1085 9.972 503 36 428 2 2.69 2.9000 10.943 503 36 429 2 2.80 2.7970 10.311 503 36 430 2 2.76 2.9384 10.438 503 36 431 2 2.76 3.1082 10.285 503 36 433 2 2.87 3.0496 11.032 503 36 434 2 2.87 2.7818 11.233 503 36 435 2 2.65 2.7705 11.342 503 36 436 2 2.80 2.6939 11.132 503 36 437 2 2.65 2.7590 11.118 503 36 438 2 2.91 2.8823 10.522 503 36 439 2 2.59 2.9830 10.753 503 36 440 2 2.61 2.9950 10.756 503 36 441 2 2.78 2.8257 10.243 503 36 442 2 2.78 2.8728 10.248 503 36 443 2 2.65 2.9253 10.067 503 36 444 2 2.73 2.9244 10.271 503 36 445 2 2.74 2.9526 9.794 503 36 446 2 2.84 2.5073 10.522 503 36 448 2 2.76 2.6869 9.960 503 36 450 2 2.85 2.3887 9.697 503 36 451 2 2.83 2.8561 9.691 503 36 453 2 2.77 2.4097 10.005 503 36 454 2 2.98 2.8018 10.369 503 36 456 2 2.97 2.1093 9.468 503 36 460 2 2.92 2.9229 10.130 503 36 461 2 2.84 2.4989 10.819 503 36 462 2 2.87 2.8439 10.265 503 36 464 2 2.77 2.4897 10.503 503 36 465 2 2.54 2.5171 9.595 503 36 466 2 2.75 2.6095 10.665 503 36 467 2 2.61 2.8182 9.685 503 36 468 2 2.71 3.0017 10.522 503 36 471 2 2.92 2.2597 10.237 503 36 472 2 2.98 2.6240 9.466 503 36 474 2 2.86 2.7374 9.813 503 36 475 2 2.69 2.9874 10.597 503 36 476 2 2.99 2.1597 9.633 503 36 1700 2 2.62 2.4384 8.825 503 36 2262 2 2.62 2.9034 9.184 503 36 2352 2 2.77 2.9780 9.414 503 36 2450 2 2.96 2.0893 9.612 503 36 2503 2 2.70 1.9265 9.629 503 36 2504 2 2.75 2.7133 9.677 503 36 2505 2 2.87 1.9236 9.770 503 36 2684 2 2.87 1.7652 9.142 503 36 2955 2 2.84 2.1620 9.317 503 36 3037 2 2.71 2.8731 8.954 503 36 3909 2 2.94 2.0243 11.091 503 36 4162 2 2.57 3.0112 11.856 503 36 4163 2 2.87 2.5327 10.770