0 mol 51 unq 0 iso 0 dist 8.69477 4.64154 8.75732 10.2017 8.72926 6.50216 numMergedOcc 0
1 mol 51 unq 1 iso 0 dist 8.59604 4.64154 6.01366 10.2017 4.21163 6.50216 numMergedOcc 0
2 mol 51 unq 2 iso 0 dist 8.59604 15.2123 9.77618 10.2017 4.21163 9.83073 numMergedOcc 0
3 mol 53 unq 0 iso 0 dist 8.68377 13.6027 7.92196 15.1901 6.61339 9.33754 numMergedOcc 0
4 mol 53 unq 1 iso 0 dist 6.63089 9.42667 7.92196 13.0127 6.61339 9.33754 numMergedOcc 0
5 mol 83 unq 0 iso 0 dist 7.99541 9.20676 7.40801 10.4961 3.9717 6.98121 numMergedOcc 0
6 mol 89 unq 0 iso 0 dist 9.54356 14.0417 8.49775 12.315 4.09598 7.24906 numMergedOcc 0
7 mol 89 unq 1 iso 0 dist 8.63062 12.0626 8.49775 12.0332 4.09598 7.24906 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 9.76814 14.7574 9.21675 16.8873 9.66133 8.52125 numMergedOcc 0
9 mol 153 unq 0 iso 0 dist 9.02724 10.6511 9.34431 12.4227 6.47446 5.44883 numMergedOcc 0
10 mol 196 unq 0 iso 0 dist 5.66536 11.0772 9.03055 12.0352 7.03871 9.48912 numMergedOcc 0
11 mol 196 unq 1 iso 0 dist 6.55775 7.71979 9.03055 11.3857 7.03871 9.48912 numMergedOcc 0
12 mol 197 unq 0 iso 0 dist 8.56661 4.31461 6.04056 8.61953 5.52807 6.50727 numMergedOcc 0
13 mol 197 unq 1 iso 0 dist 8.56661 4.31461 6.04056 7.91999 10.0758 7.84826 numMergedOcc 0
14 mol 197 unq 2 iso 0 dist 6.20676 4.31461 5.5343 8.61953 4.20442 6.50727 numMergedOcc 0
15 mol 197 unq 3 iso 0 dist 6.20676 4.31461 5.5343 7.91999 6.9944 7.84826 numMergedOcc 0
16 mol 197 unq 4 iso 0 dist 7.36576 4.31461 8.8252 8.61953 6.84976 6.50727 numMergedOcc 0
17 mol 197 unq 5 iso 0 dist 7.36576 4.31461 8.8252 7.91999 3.44524 7.84826 numMergedOcc 0
18 mol 257 unq 0 iso 0 dist 8.13651 7.76381 9.75866 12.4934 8.93866 8.9297 numMergedOcc 0
19 mol 257 unq 1 iso 0 dist 7.70445 6.91217 9.75866 12.9042 8.93866 8.9297 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 8.42773 4.98212 7.94491 8.93002 6.95971 5.98006 numMergedOcc 0
