# Bonding information for index 180 -- 0MA_13@O4 0MA_14@H2O 0MA_14@O2 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 180 1 3525 1 2.84 2.2920 8.911 180 1 3526 1 2.72 2.4762 8.820 180 1 3527 1 2.97 2.8009 9.112 ## Starting information for simulation # 2 180 2 9808 1 2.98 2.8031 12.257 ## Starting information for simulation # 3 180 3 241 1 2.72 2.6871 11.274 180 3 242 1 2.80 2.8515 11.827 180 3 988 1 2.60 2.7878 12.008 180 3 991 1 2.76 2.8128 11.452 180 3 992 1 2.85 2.4548 10.750 180 3 994 1 2.74 2.8687 11.805 180 3 995 1 2.74 2.7740 11.267 180 3 996 1 2.95 2.3341 11.279 180 3 997 1 2.77 2.5342 11.037 180 3 1106 1 2.80 2.5442 11.175 180 3 1109 1 2.68 3.0665 11.484 180 3 1115 1 2.61 2.7158 11.219 180 3 1823 1 2.87 2.7903 12.106 180 3 1983 1 2.99 1.8526 12.069 180 3 2790 1 2.93 2.9427 12.289 180 3 3029 1 2.99 2.1046 12.859 180 3 4928 1 2.97 2.7631 12.863 180 3 4930 1 2.80 2.8186 12.685 180 3 4932 1 2.87 2.6501 12.689 180 3 5657 1 2.95 2.2141 11.666 180 3 7764 1 2.73 2.5238 10.771 180 3 9736 1 2.77 2.8684 11.751 180 3 9737 1 2.82 2.7669 11.744 ## Starting information for simulation # 4 ## Starting information for simulation # 5 180 5 454 1 2.69 2.3379 10.784 180 5 455 1 2.73 2.6529 10.111 180 5 456 1 2.92 2.7691 9.501 180 5 457 1 2.96 2.6494 9.652 180 5 459 1 2.87 2.7545 10.537 180 5 460 1 2.72 2.6772 10.430 180 5 461 1 2.98 2.7333 10.470 180 5 462 1 2.73 2.8510 10.800 180 5 463 1 2.79 2.6960 10.904 180 5 464 1 2.78 2.6325 10.841 180 5 466 1 2.83 2.9935 10.350 ## Starting information for simulation # 6 ## Starting information for simulation # 7 ## 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 # 15 180 15 8329 1 2.79 2.8500 12.019 ## Starting information for simulation # 16 ## Starting information for simulation # 17 180 17 2248 1 2.89 2.3707 12.561 180 17 4391 1 2.78 2.3650 12.102 180 17 4392 1 2.81 2.6117 11.452 180 17 4393 1 2.61 3.0351 11.674 180 17 4394 1 2.68 2.6792 12.056 180 17 4395 1 2.65 2.8588 11.686 180 17 4396 1 2.57 3.0521 11.198 180 17 4397 1 2.87 2.8646 10.752 180 17 4398 1 2.61 2.9465 9.747 180 17 4399 1 2.75 2.7941 10.004 180 17 4401 1 2.65 2.7494 11.684 180 17 4610 1 2.76 2.8000 10.709 180 17 4611 1 2.61 2.7730 10.647 180 17 6425 1 2.78 2.8562 9.533 180 17 6426 1 2.90 2.7933 9.678 180 17 8160 1 2.96 2.3516 11.630 ## 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 ## Starting information for simulation # 23 ## Starting information for simulation # 24 ## Starting information for simulation # 25 ## Starting information for simulation # 26 ## Starting information for simulation # 27 ## Starting information for simulation # 28 180 28 9389 1 2.75 2.8265 12.041 180 28 9390 1 2.68 2.9425 12.363 180 28 9391 1 2.81 2.5620 12.428 ## Starting information for simulation # 29 ## Starting information for simulation # 30 ## Starting information for simulation # 31 180 31 1201 1 2.73 3.0726 9.786 ## Starting information for simulation # 32 ## Starting information for simulation # 33 ## Starting information for simulation # 34 ## Starting information for simulation # 35 180 35 7845 1 2.74 2.7022 11.187 180 35 7846 1 2.78 2.8689 10.996 180 35 7881 1 2.96 2.1942 11.318 180 35 8805 1 2.82 2.8605 13.906 180 35 8806 1 2.78 2.9091 13.965 180 35 8807 1 2.64 2.9951 13.184 180 35 9189 1 2.94 2.0446 12.883 ## Starting information for simulation # 36