0 mol 48 unq 0 iso 0 dist 9.65989 8.36915 5.70853 6.42242 15.8444 13.1229 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 9.65989 6.01454 11.7008 6.42242 15.8444 6.98858 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 8.66272 8.36915 4.8908 6.42242 12.4205 13.1229 numMergedOcc 0
3 mol 48 unq 3 iso 0 dist 8.66272 6.01454 5.82846 6.42242 12.4205 6.98858 numMergedOcc 0
4 mol 48 unq 4 iso 0 dist 8.66272 8.28883 13.2371 8.68989 10.7098 3.95005 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 4.52157 7.41952 5.65368 7.99438 4.52625 9.30887 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 4.52157 7.41952 5.65368 6.64915 5.81118 11.3722 numMergedOcc 0
7 mol 123 unq 0 iso 0 dist 9.55097 9.86842 12.0914 9.04549 7.59848 4.86652 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 7.45114 8.34427 12.7662 7.32407 10.1513 4.68204 numMergedOcc 0
9 mol 129 unq 1 iso 0 dist 7.45114 8.34427 12.7662 6.48695 9.67616 9.09658 numMergedOcc 0
10 mol 140 unq 0 iso 0 dist 9.35707 9.92335 15.1132 6.58859 5.62785 11.1208 numMergedOcc 0
11 mol 165 unq 0 iso 0 dist 9.13163 9.59989 14.676 5.79029 9.52911 9.33914 numMergedOcc 0
12 mol 165 unq 1 iso 0 dist 7.74717 9.59989 11.997 5.79029 10.5057 9.33914 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 9.38418 7.00683 14.0964 9.46973 18.1981 6.08392 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 6.45234 9.17355 11.8854 9.33514 5.45485 13.1451 numMergedOcc 0
15 mol 220 unq 1 iso 0 dist 8.37469 7.86207 15.7127 7.46122 15.4749 4.39102 numMergedOcc 0
16 mol 241 unq 0 iso 0 dist 7.16899 7.41298 4.76856 9.30143 7.35088 6.97807 numMergedOcc 0
17 mol 241 unq 1 iso 0 dist 7.16899 9.99337 11.0792 9.30143 7.35088 9.37079 numMergedOcc 0
18 mol 241 unq 2 iso 0 dist 9.27693 7.41298 5.37459 9.30143 11.4292 6.97807 numMergedOcc 0
19 mol 241 unq 3 iso 0 dist 9.27693 9.99337 5.02153 9.30143 11.4292 9.37079 numMergedOcc 0
20 mol 284 unq 0 iso 0 dist 7.78736 9.47963 12.1488 6.76508 8.52625 4.2364 numMergedOcc 0
21 mol 285 unq 0 iso 0 dist 5.77742 8.70702 8.85097 9.26309 13.6434 15.698 numMergedOcc 0
22 mol 285 unq 1 iso 0 dist 5.77742 9.43706 5.8429 9.26309 13.6434 13.927 numMergedOcc 0
23 mol 285 unq 2 iso 0 dist 5.77742 9.3482 14.6314 9.26309 13.6434 4.79097 numMergedOcc 0
