0 mol 5 unq 0 iso 0 dist 7.92988 10.1185 9.64713 18.3856 15.3044 8.85407 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 6.91627 12.7938 8.99098 19.7599 13.4452 9.64703 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 6.91627 12.7938 8.99098 13.3953 6.70723 7.96154 numMergedOcc 0
3 mol 18 unq 0 iso 0 dist 8.2056 10.2716 8.24798 12.376 5.3982 6.72533 numMergedOcc 0
4 mol 18 unq 1 iso 0 dist 8.2056 10.3407 8.02079 12.376 5.3982 8.29216 numMergedOcc 0
5 mol 83 unq 0 iso 0 dist 9.04648 5.04995 9.54782 12.6435 8.35832 9.37024 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 4.90079 5.50714 7.68053 10.4836 7.84652 8.39015 numMergedOcc 0
7 mol 103 unq 0 iso 0 dist 9.64736 11.3296 9.79739 13.0083 4.84829 8.28948 numMergedOcc 0
8 mol 110 unq 0 iso 0 dist 5.36955 6.98012 9.71431 9.02174 6.72551 8.97683 numMergedOcc 0
9 mol 181 unq 0 iso 0 dist 8.94464 11.9871 7.04782 13.536 4.66206 8.62543 numMergedOcc 0
10 mol 209 unq 0 iso 0 dist 9.29925 7.94404 7.81082 11.5639 3.96458 8.58893 numMergedOcc 0
11 mol 235 unq 0 iso 0 dist 9.61454 7.46421 8.52954 13.5245 8.47815 7.52696 numMergedOcc 0
12 mol 238 unq 0 iso 0 dist 8.71686 4.93374 6.75599 10.29 4.27675 6.32593 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 6.84088 5.32735 9.87224 5.62744 7.04644 4.21935 numMergedOcc 0
14 mol 256 unq 0 iso 0 dist 9.36652 15.6445 8.88264 19.0448 9.7941 8.11884 numMergedOcc 0
15 mol 256 unq 1 iso 0 dist 7.54613 11.974 8.88264 16.5192 9.7941 8.11884 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 8.62592 5.06393 6.41167 8.8726 3.95075 6.59521 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 6.83706 8.59148 9.03983 8.13376 4.77489 9.2772 numMergedOcc 0
18 mol 274 unq 0 iso 0 dist 9.96682 15.9289 7.03782 17.2458 11.0932 8.26695 numMergedOcc 0
19 mol 274 unq 1 iso 0 dist 9.96682 15.9289 7.03782 11.9894 5.66978 5.59151 numMergedOcc 0
20 mol 274 unq 2 iso 0 dist 9.96682 15.9289 7.03782 18.8842 10.88 8.17922 numMergedOcc 0
21 mol 279 unq 0 iso 0 dist 7.98579 7.45625 7.67032 13.4601 15.5265 7.88102 numMergedOcc 0
22 mol 279 unq 1 iso 0 dist 7.98579 7.45625 7.67032 14.9709 14.5929 7.93694 numMergedOcc 0
23 mol 283 unq 0 iso 0 dist 8.28068 5.72409 5.96202 10.5356 5.49773 6.15136 numMergedOcc 0
