0 mol 61 unq 0 iso 0 dist 7.02173 7.64582 9.08027 13.1311 9.22838 9.03044 numMergedOcc 0
1 mol 61 unq 1 iso 0 dist 6.60294 4.83991 9.08027 8.95728 9.22838 9.03044 numMergedOcc 0
2 mol 83 unq 0 iso 0 dist 9.33202 12.4274 9.51347 9.05437 5.36222 6.07337 numMergedOcc 0
3 mol 83 unq 1 iso 0 dist 6.55004 11.1783 9.51347 9.00625 5.36222 6.07337 numMergedOcc 0
4 mol 83 unq 2 iso 0 dist 7.16614 14.9677 9.51347 10.8981 5.36222 6.07337 numMergedOcc 0
5 mol 83 unq 3 iso 0 dist 9.35188 18.2639 9.51347 13.9069 5.36222 6.07337 numMergedOcc 0
6 mol 108 unq 0 iso 0 dist 5.52402 10.5684 7.96745 13.2201 9.89773 7.61275 numMergedOcc 0
7 mol 108 unq 1 iso 0 dist 6.79804 14.1381 7.96745 16.4619 9.89773 7.61275 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 5.28955 8.52303 9.92716 8.27253 4.92027 8.52673 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 5.68599 5.57319 4.7699 11.1563 6.74985 6.39075 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 6.95914 8.37562 5.96907 6.29817 5.65741 5.67716 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 6.95914 12.6264 8.55099 17.9386 13.1656 5.77628 numMergedOcc 0
12 mol 151 unq 0 iso 0 dist 5.89907 7.48212 5.78631 10.7218 5.77717 7.28665 numMergedOcc 0
13 mol 173 unq 0 iso 0 dist 7.93816 4.20317 5.65801 10.2889 7.72454 6.22848 numMergedOcc 0
14 mol 183 unq 0 iso 0 dist 9.86506 9.58361 9.99089 14.0419 10.7823 6.86657 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 9.71223 11.5511 9.51006 8.52322 4.83829 6.58421 numMergedOcc 0
16 mol 274 unq 0 iso 0 dist 7.62562 13.1644 9.77134 11.8627 4.84163 9.37125 numMergedOcc 0
17 mol 279 unq 0 iso 0 dist 4.75866 4.49604 7.92537 7.67032 10.8666 7.84195 numMergedOcc 0
18 mol 279 unq 1 iso 0 dist 4.75866 4.49604 7.92537 13.6516 15.9225 9.2174 numMergedOcc 0
19 mol 279 unq 2 iso 0 dist 7.87072 12.3159 7.92537 17.0685 10.8666 7.84195 numMergedOcc 0
20 mol 279 unq 3 iso 0 dist 7.87072 12.3159 7.92537 19.5709 15.9225 9.2174 numMergedOcc 0
