0 mol 24 unq 0 iso 0 dist 6.32779 8.13365 5.92191 6.09311 9.74777 7.49157 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.33902 6.80849 4.42703 13.466 5.11382 9.30028 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 5.12277 9.95691 9.56392 5.32648 6.58179 14.7308 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 6.84323 9.27092 4.44795 3.66673 6.51901 9.81276 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 7.24768 9.27092 4.83921 3.66673 9.1926 9.81276 numMergedOcc 0
5 mol 62 unq 2 iso 0 dist 7.24768 6.56664 6.33119 8.07308 6.58981 10.7886 numMergedOcc 0
6 mol 62 unq 3 iso 0 dist 7.24768 9.58156 10.1976 8.07308 6.58981 15.3189 numMergedOcc 0
7 mol 62 unq 4 iso 0 dist 8.51622 9.96382 6.33119 10.3525 6.58981 10.7886 numMergedOcc 0
8 mol 62 unq 5 iso 0 dist 8.51622 7.59416 10.1976 10.3525 6.58981 15.3189 numMergedOcc 0
9 mol 81 unq 0 iso 0 dist 7.91009 8.07716 4.35132 3.3881 4.95504 5.51927 numMergedOcc 0
10 mol 81 unq 1 iso 0 dist 4.39121 5.78829 4.35132 3.93741 4.95504 5.51927 numMergedOcc 0
11 mol 91 unq 0 iso 0 dist 9.52936 6.91417 14.5145 10.0233 7.09177 16.7651 numMergedOcc 0
12 mol 93 unq 0 iso 0 dist 5.27541 9.10877 6.09816 3.99275 5.96189 11.2863 numMergedOcc 0
13 mol 111 unq 0 iso 0 dist 5.68841 7.42431 4.41283 3.83194 8.51084 9.06601 numMergedOcc 0
14 mol 111 unq 1 iso 0 dist 5.68841 7.42431 4.41283 5.56913 5.53271 5.98809 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 8.27008 9.05674 4.90674 5.27905 6.01995 5.78814 numMergedOcc 0
16 mol 178 unq 0 iso 0 dist 7.55683 7.14849 4.51874 8.84201 6.3472 4.72821 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 5.52744 8.84116 9.06308 8.73397 7.00382 15.7284 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 5.52744 8.16369 11.7317 8.73397 7.00382 16.3651 numMergedOcc 0
19 mol 204 unq 0 iso 0 dist 9.06541 5.5581 10.4409 7.73968 8.09863 12.6443 numMergedOcc 0
20 mol 281 unq 0 iso 0 dist 9.18565 7.04661 4.89583 3.86368 9.05453 5.50053 numMergedOcc 0
21 mol 283 unq 0 iso 0 dist 9.74822 9.21922 8.45989 9.8348 7.17276 14.0296 numMergedOcc 0
