0 mol 34 unq 0 iso 0 dist 4.98509 9.05396 8.0991 4.96488 6.38866 6.35031 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 4.98509 9.98702 8.80175 4.96488 6.38866 5.50427 numMergedOcc 0
2 mol 34 unq 2 iso 0 dist 4.98509 7.12079 8.61637 4.96488 6.38866 3.54863 numMergedOcc 0
3 mol 34 unq 3 iso 0 dist 8.91193 9.05396 9.95093 13.9794 9.48125 9.92713 numMergedOcc 0
4 mol 34 unq 4 iso 0 dist 9.76633 16.0528 8.0991 10.8732 6.38866 6.35031 numMergedOcc 0
5 mol 34 unq 5 iso 0 dist 9.76633 15.2592 8.80175 10.8732 6.38866 5.50427 numMergedOcc 0
6 mol 34 unq 6 iso 0 dist 9.76633 10.8538 8.61637 10.8732 6.38866 3.54863 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 9.05694 6.04522 6.28603 8.28032 5.54472 3.50984 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 7.37491 3.95005 8.40186 7.84827 9.05737 7.06935 numMergedOcc 0
9 mol 48 unq 2 iso 0 dist 9.77004 9.78936 9.42099 6.38985 9.05737 3.85506 numMergedOcc 0
10 mol 48 unq 3 iso 0 dist 8.69081 6.14836 5.73454 8.60738 5.37439 3.65036 numMergedOcc 0
11 mol 68 unq 0 iso 0 dist 8.82347 4.40925 9.87699 5.80177 7.7485 3.56619 numMergedOcc 0
12 mol 83 unq 0 iso 0 dist 9.55089 17.7193 8.99451 11.1698 7.50925 8.98065 numMergedOcc 0
13 mol 83 unq 1 iso 0 dist 9.55089 17.7193 8.99451 4.27327 6.96722 13.9971 numMergedOcc 0
14 mol 111 unq 0 iso 0 dist 7.36025 11.4695 9.72371 4.21801 4.91212 8.83426 numMergedOcc 0
15 mol 111 unq 1 iso 0 dist 7.36025 11.4695 9.72371 10.0002 9.34782 16.815 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 9.80185 7.20376 9.59109 14.6304 4.88514 13.8739 numMergedOcc 0
17 mol 168 unq 0 iso 0 dist 7.93917 10.8621 6.12453 10.6411 5.86767 8.8681 numMergedOcc 0
18 mol 168 unq 1 iso 0 dist 7.93917 10.8621 6.12453 8.64743 5.28353 3.73181 numMergedOcc 0
19 mol 213 unq 0 iso 0 dist 6.81437 16.0151 9.34602 10.5963 7.93317 11.5458 numMergedOcc 0
20 mol 254 unq 0 iso 0 dist 5.0346 12.741 9.50951 9.02593 9.20109 11.9238 numMergedOcc 0
21 mol 284 unq 0 iso 0 dist 8.2474 13.0509 7.74874 9.61671 5.6964 3.57807 numMergedOcc 0
