# Bonding information for index 451 -- 0MA_15@O5 0MA_13@H6O 0MA_13@O6 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 ## Starting information for simulation # 3 451 3 8033 1 2.66 2.8067 11.325 451 3 8034 1 2.84 2.7821 11.060 451 3 8039 1 2.80 2.8510 10.687 451 3 8040 1 3.00 2.7585 10.736 451 3 8041 1 2.75 2.7039 10.549 451 3 8042 1 2.91 2.8773 10.535 ## Starting information for simulation # 4 451 4 3603 1 2.98 2.1637 11.474 451 4 3604 1 2.95 1.9325 11.542 ## Starting information for simulation # 5 ## Starting information for simulation # 6 ## Starting information for simulation # 7 ## Starting information for simulation # 8 ## Starting information for simulation # 9 451 9 2385 1 2.66 2.8168 12.871 451 9 2387 1 2.79 2.1302 12.385 451 9 2389 1 2.65 2.6016 12.319 451 9 2390 1 2.77 2.9785 12.727 451 9 2391 1 2.88 2.0753 12.547 451 9 2392 1 2.81 2.3508 12.438 451 9 2587 1 2.63 2.8134 12.912 451 9 2590 1 2.95 2.9647 12.856 451 9 2591 1 2.73 2.8143 12.686 451 9 2596 1 2.81 2.4726 12.581 451 9 2597 1 2.87 2.1829 12.515 451 9 2599 1 2.61 2.8736 13.328 451 9 2600 1 2.80 2.9081 13.371 451 9 2601 1 2.78 3.0692 12.822 451 9 2602 1 2.75 2.7816 13.440 451 9 2603 1 2.71 2.8510 13.266 451 9 2604 1 2.89 2.8790 13.374 451 9 2606 1 2.83 2.1774 12.752 451 9 2607 1 2.69 2.7536 12.382 451 9 2608 1 2.93 2.2988 12.384 451 9 2609 1 2.67 2.5256 12.605 451 9 2610 1 2.66 2.4787 12.589 451 9 2611 1 2.85 2.7229 12.768 451 9 2612 1 2.83 2.4356 12.531 451 9 2613 1 2.98 1.7663 12.558 451 9 2614 1 2.83 2.4858 12.741 451 9 3066 1 2.95 2.1999 12.621 451 9 3072 1 2.82 1.7548 12.597 451 9 3076 1 2.65 2.8128 12.242 451 9 3131 1 2.83 2.1635 12.757 451 9 3132 1 2.70 2.7283 12.311 451 9 3133 1 2.93 2.3684 12.100 451 9 3134 1 2.83 2.2774 12.273 451 9 3138 1 2.71 2.5939 12.315 451 9 3139 1 3.00 2.4374 12.249 451 9 3140 1 2.99 2.5131 11.823 451 9 3142 1 2.72 2.1240 12.638 451 9 3147 1 2.91 2.3168 12.096 451 9 3151 1 2.89 1.9655 12.069 451 9 3154 1 2.89 2.8539 11.241 451 9 3156 1 2.73 2.7686 12.417 451 9 3157 1 3.00 2.5403 12.356 451 9 3162 1 2.98 1.7592 11.950 451 9 3163 1 2.89 2.0047 12.099 451 9 3164 1 2.88 2.1241 11.627 451 9 7277 1 2.84 2.1574 12.312 ## Starting information for simulation # 10 451 10 234 1 2.97 2.0226 12.665 451 10 237 1 2.86 2.1948 12.222 451 10 283 1 2.90 1.9460 12.373 451 10 340 1 2.92 1.8776 12.681 451 10 444 1 2.91 2.7341 12.931 451 10 451 1 2.73 2.6847 12.498 451 10 456 1 2.92 2.0564 11.796 451 10 457 1 2.84 1.7924 11.668 ## Starting information for simulation # 11 ## Starting information for simulation # 12 ## Starting information for simulation # 13 451 13 1579 1 2.81 2.4264 11.692 451 13 1647 1 2.83 2.3066 11.369 451 13 1651 1 2.81 2.7910 12.395 451 13 1652 1 2.62 2.0669 11.869 451 13 1653 1 2.85 1.7713 12.929 451 13 1654 1 2.90 2.9432 12.469 451 13 1655 1 2.91 1.9613 12.533 451 13 1657 1 2.72 2.8681 12.015 451 13 2413 1 2.83 2.7833 12.328 451 13 2420 1 2.78 3.0991 12.416 451 13 2451 1 2.88 2.6322 12.923 451 13 2452 1 2.97 2.3300 12.382 451 13 4352 1 2.92 2.6230 11.289 451 13 4354 1 2.82 2.7853 12.037 451 13 4357 1 2.68 2.6208 12.521 451 13 4362 1 2.89 1.9931 11.668 451 13 4365 1 2.99 1.8696 13.030 451 13 4369 1 2.89 2.1970 12.598 451 13 4381 1 2.68 2.1943 12.409 451 13 4383 1 2.89 1.9909 12.055 451 13 4386 1 2.90 2.1031 12.910 451 13 4390 1 2.89 2.6679 12.128 451 13 4391 1 2.94 2.0733 11.648 451 13 4394 1 2.81 2.0566 12.788 451 13 4402 1 2.77 2.4594 11.739 451 13 4407 1 2.97 2.3345 12.341 451 13 4408 1 2.80 2.6457 12.156 451 13 4419 1 2.79 2.5703 12.412 451 13 4426 1 2.91 2.1933 11.594 451 13 4427 1 2.73 1.8999 12.031 451 13 4429 1 2.77 2.6103 12.059 451 13 4430 1 2.64 2.1967 11.663 451 13 4443 1 2.79 2.4925 11.805 451 13 4444 1 2.59 2.4724 11.175 451 13 4445 1 2.96 2.1255 11.499 451 13 4450 1 3.00 2.7607 12.097 451 13 4451 1 2.87 2.9036 12.164 451 13 4453 1 2.81 2.6947 11.477 451 13 4457 1 2.76 2.3221 12.343 451 13 4475 1 2.95 2.4660 11.353 451 13 4477 1 2.80 2.4199 11.406 451 13 4478 1 2.92 2.2686 11.592 451 13 4486 1 2.74 2.5287 12.119 451 13 4487 1 2.94 2.3612 12.276 451 13 5433 1 2.74 2.7598 11.911 451 13 5434 1 2.93 2.8150 11.939 451 13 5435 1 2.99 2.6721 12.115 ## Starting information for simulation # 14 451 14 372 1 2.99 1.7751 11.239 451 14 378 1 2.94 2.0736 9.808 451 14 379 1 2.67 2.2247 10.462 451 14 832 1 2.96 2.0839 10.138 451 14 836 1 2.87 2.3747 9.688 451 14 1483 1 3.00 2.1533 11.190 451 14 1713 1 2.68 2.2269 12.760 451 14 1715 1 2.96 2.8005 12.384 451 14 2542 1 2.84 2.6689 13.228 451 14 2546 1 2.76 2.9555 11.296 451 14 2547 1 3.00 1.9434 11.861 451 14 2552 1 2.66 2.4989 12.340 451 14 2553 1 2.95 2.7823 12.310 451 14 2555 1 2.60 2.8702 11.855 451 14 2556 1 2.87 2.0731 11.923 451 14 2558 1 2.88 2.1003 11.492 451 14 2560 1 2.89 2.6242 12.396 451 14 2562 1 2.92 2.3227 12.187 451 14 2564 1 2.79 2.6691 11.831 451 14 2565 1 2.92 2.3233 12.430 451 14 2573 1 2.85 2.2540 12.457 ## Starting information for simulation # 15 451 15 7255 1 2.81 2.4101 12.524 451 15 7256 1 2.91 2.0395 12.690 ## Starting information for simulation # 16 ## Starting information for simulation # 17 451 17 1361 1 3.00 2.6630 13.006 451 17 1362 1 2.89 2.6235 12.473 451 17 1366 1 2.79 2.7032 13.173 451 17 1407 1 2.81 2.8013 13.601 451 17 1413 1 2.68 2.7137 13.615 451 17 1482 1 2.95 2.2419 13.563 451 17 1486 1 2.81 2.3055 13.368 451 17 1491 1 2.99 2.0311 14.010 451 17 1559 1 2.81 2.3110 13.518 451 17 1564 1 2.70 2.5513 11.731 451 17 1566 1 2.91 2.5856 13.159 451 17 1567 1 2.66 2.7770 12.784 451 17 1570 1 2.70 2.7426 13.064 451 17 1571 1 2.90 1.9922 13.025 451 17 1588 1 2.71 2.2183 13.768 451 17 1590 1 2.93 2.0177 13.135 451 17 1591 1 2.97 2.8457 13.102 451 17 1592 1 2.89 2.7368 12.772 451 17 1593 1 2.71 2.9909 13.099 451 17 1595 1 2.68 3.0445 13.163 451 17 1596 1 2.92 2.9525 13.288 451 17 1599 1 2.91 1.7581 11.826 451 17 1613 1 2.77 2.8397 12.913 451 17 1616 1 2.92 2.7534 13.406 451 17 1618 1 2.71 2.7429 12.472 451 17 1620 1 2.85 1.8215 13.484 451 17 1621 1 2.80 2.7955 13.124 451 17 2034 1 2.81 3.0326 12.148 451 17 2036 1 2.73 2.6521 11.575 451 17 2037 1 2.70 2.0482 11.811 451 17 2039 1 2.92 2.7541 12.095 451 17 2066 1 2.63 2.8384 13.698 451 17 2069 1 2.75 2.9425 13.569 451 17 2074 1 2.62 2.7143 14.301 ## Starting information for simulation # 18 ## Starting information for simulation # 19 451 19 4777 1 2.77 3.0089 13.295 451 19 9558 1 2.82 2.3215 12.498 ## Starting information for simulation # 20 451 20 3959 1 2.91 2.6825 12.818 451 20 4006 1 2.73 2.7304 12.903 451 20 4040 1 2.76 2.8932 13.328 ## Starting information for simulation # 21 ## Starting information for simulation # 22 ## Starting information for simulation # 23 ## Starting information for simulation # 24 451 24 511 1 2.58 2.6339 12.603 451 24 515 1 2.88 2.8852 12.512 451 24 516 1 2.88 2.1720 12.532 451 24 517 1 2.91 2.8195 12.546 451 24 518 1 2.96 2.1315 12.658 451 24 520 1 2.65 2.3683 12.991 451 24 521 1 2.99 3.0487 12.784 451 24 524 1 2.75 2.9084 12.337 451 24 530 1 2.60 2.7375 12.389 451 24 532 1 2.93 2.7724 12.421 451 24 535 1 2.79 2.9872 12.847 ## Starting information for simulation # 25 451 25 286 1 2.83 2.8204 12.386 451 25 287 1 2.94 2.6551 12.264 451 25 288 1 2.82 2.6276 11.582 451 25 289 1 2.89 2.7667 12.346 451 25 291 1 2.89 2.7570 12.372 451 25 295 1 2.66 2.6252 11.992 451 25 297 1 2.71 2.8030 11.818 451 25 299 1 2.77 2.6827 12.242 451 25 300 1 2.73 2.5343 11.678 451 25 302 1 2.97 2.2986 11.802 451 25 304 1 2.89 2.5338 11.739 451 25 305 1 2.93 2.4214 12.149 451 25 310 1 2.91 2.6498 11.130 451 25 333 1 2.72 2.5504 12.612 451 25 338 1 2.74 2.0475 11.601 451 25 339 1 2.93 2.8322 11.863 451 25 341 1 2.94 2.9294 11.974 451 25 342 1 2.73 2.7427 11.795 451 25 343 1 2.66 3.0451 11.635 451 25 346 1 2.70 2.9347 10.822 451 25 347 1 2.89 2.1545 11.338 451 25 474 1 2.92 2.6117 11.204 451 25 1957 1 2.92 2.5549 12.619 ## Starting information for simulation # 26 ## Starting information for simulation # 27 ## Starting information for simulation # 28 ## Starting information for simulation # 29 451 29 1025 1 2.99 1.8182 13.351 451 29 1033 1 2.80 2.3809 13.209 451 29 1041 1 2.67 2.4711 12.872 451 29 1042 1 2.92 2.1441 13.042 451 29 2987 1 2.77 2.7873 12.880 451 29 2988 1 2.93 2.7446 12.845 451 29 2989 1 2.91 3.0838 12.675 451 29 3881 1 2.84 2.0127 13.717 451 29 3883 1 2.88 2.0928 13.468 451 29 3884 1 2.67 2.6903 12.126 451 29 7804 1 2.68 2.8901 12.655 451 29 7805 1 2.68 2.9043 12.228 451 29 7806 1 2.82 2.9932 12.762 451 29 7807 1 2.92 2.5535 12.787 451 29 8506 1 2.76 3.1061 12.871 ## Starting information for simulation # 30 451 30 3412 1 2.83 2.8861 12.607 451 30 3437 1 2.63 2.7122 11.570 451 30 3441 1 2.83 2.8675 12.511 451 30 4047 1 2.77 2.5729 12.363 451 30 5251 1 2.87 2.0324 11.882 451 30 5257 1 2.68 2.4700 11.982 451 30 5265 1 2.80 2.6396 11.527 451 30 5266 1 2.95 1.8833 11.735 451 30 5267 1 2.72 2.3387 11.958 451 30 5269 1 2.85 2.6953 12.169 451 30 5270 1 2.91 2.2537 11.931 451 30 5271 1 2.72 2.3773 12.002 451 30 5272 1 2.89 2.3033 12.165 451 30 5276 1 2.84 2.8291 12.807 451 30 5277 1 2.83 1.7509 12.871 ## Starting information for simulation # 31 ## Starting information for simulation # 32 451 32 6596 1 2.72 2.6290 12.728 451 32 6598 1 2.91 2.6915 12.879 451 32 6599 1 2.71 2.3893 12.912 451 32 6604 1 2.78 2.9958 12.507 451 32 6606 1 2.98 2.1578 12.703 ## Starting information for simulation # 33 ## Starting information for simulation # 34 451 34 950 1 2.57 2.4337 13.088 451 34 1007 1 2.85 2.8669 12.800 451 34 1008 1 2.77 2.9186 12.927 451 34 1009 1 2.73 2.6780 12.962 451 34 1032 1 2.96 3.0319 13.696 451 34 1043 1 2.84 2.7675 13.310 451 34 1044 1 2.72 2.6124 13.151 451 34 1053 1 2.78 1.8619 12.981 451 34 1435 1 2.85 2.7916 12.043 451 34 1995 1 2.96 3.0348 13.170 451 34 2002 1 2.80 2.3992 12.817 451 34 2003 1 2.94 2.5324 13.146 451 34 3950 1 2.76 2.9316 14.247 451 34 3951 1 2.89 2.3320 14.259 451 34 3952 1 2.62 2.6703 14.224 451 34 3953 1 2.87 2.5154 14.304 451 34 4216 1 2.98 2.6041 14.027 451 34 4218 1 2.83 2.3249 14.273 451 34 4220 1 2.73 2.9522 13.962 451 34 4293 1 2.71 2.6769 12.085 451 34 4379 1 2.69 2.7455 13.238 451 34 4380 1 2.89 2.3437 13.192 451 34 5679 1 2.81 2.8324 12.644 ## Starting information for simulation # 35 451 35 7510 1 2.73 2.3482 12.089 ## Starting information for simulation # 36