0 mol 10 unq 0 iso 0 dist 9.1125 13.4978 9.44938 14.7966 9.03951 12.9719 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 7.44542 7.57142 9.78092 10.9602 8.18296 13.3591 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 7.44542 7.57142 9.78092 10.4006 7.99569 9.57694 numMergedOcc 0
3 mol 41 unq 0 iso 0 dist 7.10635 6.07784 6.42931 12.0084 9.18836 12.5752 numMergedOcc 0
4 mol 41 unq 1 iso 0 dist 7.10635 6.07784 6.42931 4.08339 6.07294 8.68242 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 8.01516 6.39793 4.52157 4.05986 7.99438 4.52625 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 8.01516 6.39793 4.52157 4.91535 6.64915 5.81118 numMergedOcc 0
7 mol 103 unq 0 iso 0 dist 6.36357 4.36597 5.24823 11.6508 9.68619 7.38666 numMergedOcc 0
8 mol 103 unq 1 iso 0 dist 5.52999 5.3449 5.24823 9.46459 9.68619 7.38666 numMergedOcc 0
9 mol 123 unq 0 iso 0 dist 8.56386 8.59447 9.55097 12.3975 9.04549 7.59848 numMergedOcc 0
10 mol 165 unq 0 iso 0 dist 9.8446 7.28318 9.13163 9.96973 5.79029 9.52911 numMergedOcc 0
11 mol 165 unq 1 iso 0 dist 9.8446 16.8597 7.74717 9.96973 5.79029 10.5057 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 8.32641 11.1168 4.47148 4.29967 9.2802 10.7135 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 8.32641 11.1168 4.47148 6.48822 7.2843 8.30089 numMergedOcc 0
14 mol 241 unq 0 iso 0 dist 8.96917 8.67618 7.16899 4.85571 9.30143 7.35088 numMergedOcc 0
15 mol 241 unq 1 iso 0 dist 8.96917 7.72095 9.27693 4.85571 9.30143 11.4292 numMergedOcc 0
16 mol 279 unq 0 iso 0 dist 8.299 8.51381 7.06381 6.68035 5.94449 10.2995 numMergedOcc 0
17 mol 279 unq 1 iso 0 dist 8.299 8.51381 7.06381 4.47851 8.61452 5.10287 numMergedOcc 0
18 mol 279 unq 2 iso 0 dist 8.299 8.51381 7.06381 13.5015 7.66302 6.69582 numMergedOcc 0
