0 mol 54 unq 0 iso 0 dist 6.72872 6.6367 6.91496 5.64505 8.62769 6.81735 numMergedOcc 0
1 mol 69 unq 0 iso 0 dist 8.27307 5.38363 8.67853 11.6291 14.5164 7.17133 numMergedOcc 0
2 mol 69 unq 1 iso 0 dist 6.92837 5.38363 10.8149 11.6291 15.5486 7.17133 numMergedOcc 0
3 mol 95 unq 0 iso 0 dist 7.90775 8.6356 7.82258 6.30451 10.1171 7.27275 numMergedOcc 0
4 mol 95 unq 1 iso 0 dist 8.49531 8.6356 12.6805 6.30451 12.5472 7.27275 numMergedOcc 0
5 mol 96 unq 0 iso 0 dist 6.21351 6.93203 6.08084 10.4967 11.2931 8.79886 numMergedOcc 0
6 mol 96 unq 1 iso 0 dist 9.93617 8.68256 6.08084 4.29979 11.2931 8.79886 numMergedOcc 0
7 mol 111 unq 0 iso 0 dist 6.34542 9.83758 6.34994 16.6046 14.2119 8.11813 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 7.85583 8.83567 4.69658 13.6213 9.43616 9.64908 numMergedOcc 0
9 mol 112 unq 1 iso 0 dist 8.86938 6.79584 4.69658 14.3632 9.43616 9.64908 numMergedOcc 0
10 mol 112 unq 2 iso 0 dist 7.42474 6.79584 13.1881 14.3632 21.657 9.64908 numMergedOcc 0
11 mol 113 unq 0 iso 0 dist 9.70016 7.25771 5.46207 10.8912 12.0942 9.57769 numMergedOcc 0
12 mol 124 unq 0 iso 0 dist 6.71293 6.67979 9.79481 4.04981 7.23052 8.50362 numMergedOcc 0
13 mol 158 unq 0 iso 0 dist 9.66837 7.37255 7.72421 6.31999 14.0717 9.27714 numMergedOcc 0
14 mol 214 unq 0 iso 0 dist 9.43611 6.26596 4.15355 8.09631 9.4835 9.46274 numMergedOcc 0
15 mol 231 unq 0 iso 0 dist 6.02527 9.59251 8.58535 5.36501 9.98232 8.37596 numMergedOcc 0
16 mol 231 unq 1 iso 0 dist 6.02527 9.59251 8.58535 5.70809 10.174 9.92749 numMergedOcc 0
17 mol 265 unq 0 iso 0 dist 8.49415 9.40917 5.94366 13.5795 7.54805 6.18698 numMergedOcc 0
18 mol 294 unq 0 iso 0 dist 7.77765 7.0445 14.5847 11.231 17.2419 7.94656 numMergedOcc 0
