0 mol 7 unq 0 iso 0 dist 9.20552 6.49868 7.88043 11.1443 12.2041 5.72491 15.12 12.2708 9.55056 10.789 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.20552 6.49868 7.88043 11.1443 12.2041 5.72491 12.057 6.06176 7.45262 10.515 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.90473 10.0227 8.6385 14.7561 9.78225 5.69955 7.12852 4.74747 7.61055 9.87119 numMergedOcc 0
3 mol 42 unq 0 iso 0 dist 8.23258 8.35702 9.53458 12.1252 5.59383 9.16649 13.022 11.1435 6.25866 9.34878 numMergedOcc 0
4 mol 94 unq 0 iso 0 dist 8.01724 5.25393 8.16733 13.1287 7.49897 9.97569 5.80964 8.20144 5.18655 11.997 numMergedOcc 0
5 mol 181 unq 0 iso 0 dist 8.27794 8.07046 7.20392 10.4189 10.1912 6.51749 9.34871 6.14208 7.345 5.4601 numMergedOcc 0
6 mol 181 unq 1 iso 0 dist 8.27794 8.07046 7.20392 10.4189 10.1912 6.51749 5.55727 5.95965 9.52987 10.0524 numMergedOcc 0
7 mol 195 unq 0 iso 0 dist 7.39185 9.67099 6.60567 14.8997 10.7531 7.62942 18.9596 13.6975 9.79691 6.08211 numMergedOcc 0
8 mol 195 unq 1 iso 0 dist 4.78641 9.33058 6.60567 12.0897 10.7531 7.62942 16.5892 13.6975 9.79691 6.08211 numMergedOcc 0
9 mol 214 unq 0 iso 0 dist 7.94344 6.27546 8.46327 13.0785 12.7897 7.05523 12.3931 10.7373 7.2498 7.62375 numMergedOcc 0
10 mol 218 unq 0 iso 0 dist 9.79816 10.888 5.76954 12.5084 4.72474 6.29367 14.723 9.68444 6.86795 6.05563 numMergedOcc 0
11 mol 218 unq 1 iso 0 dist 9.79816 10.888 5.76954 12.5084 4.72474 6.29367 5.66171 7.47048 6.61099 8.36122 numMergedOcc 0
12 mol 218 unq 2 iso 0 dist 9.79816 10.888 5.76954 15.3307 5.61978 9.20961 14.723 9.68444 6.86795 11.4148 numMergedOcc 0
13 mol 218 unq 3 iso 0 dist 9.79816 10.888 5.76954 15.3307 5.61978 9.20961 5.66171 7.47048 6.61099 12.7963 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 8.97461 11.3332 5.64181 8.89487 6.85126 7.61393 10.3728 10.4664 8.6597 13.3539 numMergedOcc 0
15 mol 238 unq 1 iso 0 dist 8.97461 11.3332 5.64181 8.89487 6.85126 7.61393 15.2625 11.2717 7.47235 14.7509 numMergedOcc 0
16 mol 238 unq 2 iso 0 dist 8.97461 11.3332 5.64181 8.89487 6.85126 7.61393 13.9178 5.17471 6.44735 10.7999 numMergedOcc 0
17 mol 238 unq 3 iso 0 dist 8.97461 11.3332 5.64181 8.89487 6.85126 7.61393 12.2479 5.03393 5.91208 5.49433 numMergedOcc 0
18 mol 238 unq 4 iso 0 dist 6.94654 9.80929 7.61393 11.7526 6.85126 5.64181 12.298 13.3539 8.6597 10.4664 numMergedOcc 0
19 mol 238 unq 5 iso 0 dist 6.94654 9.80929 7.61393 11.7526 6.85126 5.64181 14.7242 14.7509 7.47235 11.2717 numMergedOcc 0
20 mol 238 unq 6 iso 0 dist 6.94654 9.80929 7.61393 11.7526 6.85126 5.64181 15.4716 10.7999 6.44735 5.17471 numMergedOcc 0
21 mol 238 unq 7 iso 0 dist 6.94654 9.80929 7.61393 11.7526 6.85126 5.64181 11.3465 5.49433 5.91208 5.03393 numMergedOcc 0
22 mol 238 unq 8 iso 0 dist 8.89487 11.3332 7.61393 8.97461 6.85126 5.64181 10.3728 13.3539 8.6597 10.4664 numMergedOcc 0
23 mol 238 unq 9 iso 0 dist 8.89487 11.3332 7.61393 8.97461 6.85126 5.64181 15.2625 14.7509 7.47235 11.2717 numMergedOcc 0
24 mol 238 unq 10 iso 0 dist 8.89487 11.3332 7.61393 8.97461 6.85126 5.64181 13.9178 10.7999 6.44735 5.17471 numMergedOcc 0
25 mol 238 unq 11 iso 0 dist 8.89487 11.3332 7.61393 8.97461 6.85126 5.64181 12.2479 5.49433 5.91208 5.03393 numMergedOcc 0
26 mol 240 unq 0 iso 0 dist 7.6664 14.1051 9.47583 11.4891 4.28414 8.44909 18.0741 10.7371 8.33853 7.75407 numMergedOcc 0
27 mol 240 unq 1 iso 0 dist 7.6664 14.1051 9.47583 11.4891 4.28414 8.44909 19.423 13.9225 5.66537 12.076 numMergedOcc 0
28 mol 264 unq 0 iso 0 dist 6.65233 6.79049 6.14323 10.3349 4.92077 6.04162 16.0802 12.3807 9.42738 8.16326 numMergedOcc 0
29 mol 277 unq 0 iso 0 dist 7.151 6.63088 6.57903 10.4836 6.59123 9.65707 10.4162 9.92201 7.25677 7.29899 numMergedOcc 0
30 mol 277 unq 1 iso 0 dist 8.33977 14.3997 6.57903 11.513 6.59123 9.65707 17.1323 9.92201 7.25677 7.29899 numMergedOcc 0
