# Bonding information for index 61 -- 0VA_12@O6 0VA_13@H3O 0VA_13@O3 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 61 1 8403 1 2.85 2.9804 12.238 61 1 8656 1 2.79 2.7135 12.379 61 1 8657 1 2.92 2.7689 11.999 61 1 8659 1 2.73 2.7208 13.034 ## Starting information for simulation # 2 ## Starting information for simulation # 3 ## Starting information for simulation # 4 ## Starting information for simulation # 5 61 5 1782 1 2.78 2.8345 13.231 61 5 1784 1 2.73 3.0165 13.151 61 5 1785 1 2.87 2.9832 13.228 61 5 8016 1 2.79 2.7548 13.441 61 5 8039 1 2.79 3.1087 13.106 ## Starting information for simulation # 6 61 6 7397 1 2.83 2.7172 12.133 61 6 7398 1 2.74 2.8174 12.572 61 6 7400 1 2.80 2.2150 12.819 61 6 7401 1 2.78 3.0058 12.335 61 6 8749 1 2.90 2.3477 12.518 61 6 8753 1 2.75 2.5296 11.878 61 6 9366 1 2.64 2.6098 12.083 61 6 9367 1 2.55 2.9283 12.286 61 6 9369 1 2.89 2.7137 12.526 61 6 9370 1 2.93 2.6011 12.289 61 6 9371 1 2.70 3.0914 12.256 61 6 9373 1 2.78 2.6950 12.336 ## Starting information for simulation # 7 61 7 6813 1 2.93 2.5326 12.315 61 7 9685 1 2.74 3.1400 12.066 61 7 9687 1 2.72 2.5681 11.986 61 7 9688 1 2.60 2.9317 12.075 61 7 9796 1 2.56 2.9450 12.347 61 7 9797 1 2.58 2.7617 12.688 61 7 9799 1 2.92 2.6548 12.294 61 7 9800 1 2.74 2.9436 12.884 ## Starting information for simulation # 8 61 8 4481 1 2.92 2.6167 13.080 61 8 4482 1 2.97 2.4050 13.271 61 8 4483 1 2.87 2.7360 13.011 61 8 4485 1 2.84 2.5783 12.692 61 8 4487 1 2.67 2.9189 12.679 61 8 4488 1 2.81 2.8063 12.717 61 8 4490 1 2.78 2.4412 12.885 61 8 4491 1 2.78 2.8666 12.086 61 8 8284 1 2.98 2.9468 13.281 61 8 8285 1 2.80 2.6893 13.159 61 8 8286 1 2.96 2.4133 12.736 61 8 8294 1 2.68 2.7716 12.245 61 8 8295 1 2.85 2.9966 12.341 61 8 8296 1 2.64 2.8982 12.744 ## Starting information for simulation # 9 61 9 6265 1 2.64 2.3211 13.201 ## Starting information for simulation # 10 61 10 2716 1 2.85 2.7144 12.414 61 10 2717 1 2.72 2.9785 13.191 61 10 2718 1 2.72 2.3429 12.671 ## Starting information for simulation # 11 61 11 137 1 2.72 2.6451 12.159 61 11 139 1 2.67 2.6404 12.782 61 11 142 1 2.76 2.5710 12.728 61 11 143 1 2.67 2.5998 12.330 61 11 144 1 2.92 2.7332 12.266 61 11 147 1 2.99 2.0460 12.076 61 11 148 1 2.73 2.1809 12.058 61 11 149 1 2.80 2.8649 12.182 61 11 150 1 2.76 2.7305 12.628 61 11 151 1 2.72 2.6436 12.522 61 11 152 1 2.97 2.4731 12.178 61 11 153 1 2.90 2.2435 12.725 61 11 155 1 2.85 2.5258 12.366 ## Starting information for simulation # 12 61 12 2262 1 2.74 2.4506 12.196 61 12 2267 1 2.73 3.1011 12.473 61 12 7379 1 2.92 2.8985 12.568 61 12 7380 1 2.72 2.9945 13.466 ## 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 61 18 6341 1 2.78 2.7338 12.933 61 18 6357 1 2.87 2.3956 12.426 ## Starting information for simulation # 19 61 19 1332 1 2.94 2.6039 13.465 61 19 1335 1 2.77 2.7223 12.604 61 19 4204 1 2.92 2.6953 12.977 61 19 4208 1 2.85 2.4869 12.472 61 19 4209 1 2.87 2.8903 12.288 61 19 4210 1 2.77 2.8416 12.728 61 19 4211 1 2.94 2.8169 12.440 61 19 4212 1 2.82 2.3820 12.699 61 19 4214 1 2.86 2.7141 12.379 61 19 4215 1 2.69 2.7215 12.042 61 19 4218 1 2.95 2.5736 12.765 61 19 4220 1 2.91 2.2283 11.964 61 19 4221 1 2.79 2.5970 11.954 ## Starting information for simulation # 20 61 20 7886 1 2.95 2.9034 12.489 ## Starting information for simulation # 21 61 21 2329 1 2.95 2.7926 12.778 ## Starting information for simulation # 22 ## Starting information for simulation # 23 61 23 2007 1 2.90 2.3435 12.344 ## Starting information for simulation # 24 61 24 1066 1 2.72 2.8724 12.903 61 24 1067 1 2.78 2.6892 13.438 61 24 1069 1 2.70 2.8916 12.835 61 24 1085 1 2.68 3.0866 12.766 61 24 1088 1 2.76 3.0716 12.790 61 24 1089 1 2.82 2.9733 12.436 61 24 1090 1 2.96 1.9385 12.424 61 24 1284 1 2.94 2.2705 12.835 61 24 1287 1 2.91 2.6252 12.762 ## Starting information for simulation # 25 61 25 5940 1 2.85 3.0115 12.561 61 25 8239 1 2.96 1.7560 12.514 61 25 8246 1 2.87 2.8718 12.720 61 25 8247 1 2.64 2.7017 13.282 61 25 8248 1 2.69 3.0140 13.059 61 25 8249 1 2.68 2.7660 12.794 61 25 8250 1 2.80 2.6277 13.222 61 25 8251 1 2.69 2.7127 13.641 61 25 8252 1 2.80 2.7793 13.728 61 25 8253 1 2.74 2.7575 13.310 61 25 8254 1 2.91 2.6651 13.193 61 25 8255 1 2.83 2.7098 13.390 61 25 8256 1 2.85 2.7655 13.573 61 25 8257 1 2.74 2.7634 12.797 61 25 8259 1 2.69 2.4270 12.874 61 25 8261 1 2.81 2.6843 13.189 ## Starting information for simulation # 26 ## Starting information for simulation # 27 61 27 887 1 2.91 3.0037 12.567 61 27 2296 1 2.89 2.8143 13.010 61 27 2297 1 2.77 3.0595 12.648 61 27 2298 1 2.74 3.0607 13.127 61 27 2299 1 2.75 2.7656 12.604 61 27 2300 1 2.69 2.9306 12.813 61 27 2301 1 2.95 2.7907 13.011 61 27 2302 1 2.61 2.5775 12.794 61 27 2303 1 2.90 2.8779 12.962 61 27 2304 1 2.77 2.7011 12.632 61 27 2306 1 2.66 2.9062 13.034 61 27 2309 1 2.91 2.3381 12.883 61 27 2310 1 2.76 2.7892 12.794 61 27 5567 1 2.73 2.9353 11.718 ## Starting information for simulation # 28 61 28 1329 1 2.77 2.2590 12.369 61 28 1331 1 2.64 2.8285 13.262 61 28 1332 1 2.80 2.3483 13.834 61 28 1333 1 2.65 2.8472 13.059 61 28 1336 1 2.94 2.3178 12.998 61 28 1338 1 2.93 2.5417 13.231 61 28 4005 1 2.92 2.9080 12.777 61 28 8726 1 2.66 2.6433 11.302 61 28 8730 1 2.99 2.5358 11.474 61 28 8732 1 2.73 2.3417 11.173 61 28 8733 1 2.84 2.4476 11.373 61 28 8742 1 2.81 2.8359 11.931 61 28 8744 1 2.88 2.6045 12.098 ## Starting information for simulation # 29 61 29 1797 1 2.81 2.7739 12.400 61 29 2949 1 2.92 2.9461 12.792 61 29 2953 1 2.93 2.8387 12.729 61 29 2954 1 2.83 2.2064 12.750 61 29 2957 1 2.94 2.7199 12.587 61 29 3987 1 2.98 2.3957 12.443 61 29 4002 1 2.90 2.5550 12.188 61 29 4003 1 2.81 2.6974 11.992 61 29 4004 1 2.85 2.6533 13.094 61 29 4006 1 2.86 2.9041 12.479 61 29 4009 1 2.79 2.9479 12.952 61 29 4010 1 2.84 2.9910 12.106 61 29 4012 1 2.68 3.0523 12.302 61 29 4013 1 2.81 2.5884 12.662 61 29 4253 1 2.70 2.7695 12.404 61 29 4254 1 2.73 2.6138 12.636 61 29 4257 1 2.73 2.5929 12.836 61 29 4258 1 2.98 2.6583 12.214 61 29 4259 1 2.86 2.4745 12.701 ## Starting information for simulation # 30 61 30 3910 1 2.80 2.6125 13.170 61 30 3911 1 2.76 2.7450 12.605 ## Starting information for simulation # 31 ## Starting information for simulation # 32 61 32 485 1 2.75 2.8703 12.210 61 32 502 1 2.66 2.8429 11.879 61 32 507 1 2.64 2.7042 12.742 61 32 508 1 2.71 2.7501 12.799 61 32 509 1 2.57 2.5543 13.013