0 mol 66 unq 0 iso 0 dist 8.58798 8.89633 9.31938 7.28551 8.78967 10.1359 numMergedOcc 0
1 mol 66 unq 1 iso 0 dist 8.58798 8.89633 9.31938 3.96299 9.08763 9.23823 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 8.06502 13.4735 9.68277 9.96015 6.90069 4.83459 numMergedOcc 0
3 mol 135 unq 0 iso 0 dist 8.8459 6.61263 7.54797 10.5301 9.13739 8.91766 numMergedOcc 0
4 mol 184 unq 0 iso 0 dist 8.45309 7.53305 5.13722 15.6229 9.07247 10.6375 numMergedOcc 0
5 mol 186 unq 0 iso 0 dist 8.41494 9.55305 8.09373 5.44287 8.41456 5.32701 numMergedOcc 0
6 mol 193 unq 0 iso 0 dist 7.13192 6.05626 9.16852 4.0847 8.28942 9.98298 numMergedOcc 0
7 mol 222 unq 0 iso 0 dist 8.37114 11.9532 9.5045 5.03056 7.61739 11.9017 numMergedOcc 0
8 mol 222 unq 1 iso 0 dist 8.37114 11.9532 9.5045 3.91348 9.59191 9.63121 numMergedOcc 0
9 mol 239 unq 0 iso 0 dist 9.26044 10.7857 8.33254 9.42722 8.03092 14.4546 numMergedOcc 0
10 mol 259 unq 0 iso 0 dist 5.80603 10.7991 7.4294 5.13757 6.95658 12.6734 numMergedOcc 0
11 mol 259 unq 1 iso 0 dist 5.80603 9.29663 8.37253 5.13757 6.95658 5.77768 numMergedOcc 0
12 mol 274 unq 0 iso 0 dist 7.86884 7.21548 9.30966 11.8328 9.00595 6.35472 numMergedOcc 0
13 mol 274 unq 1 iso 0 dist 7.86884 7.21548 9.30966 15.3165 9.40401 13.3483 numMergedOcc 0
14 mol 274 unq 2 iso 0 dist 7.86884 8.92279 5.38704 11.8328 9.00595 3.98545 numMergedOcc 0
15 mol 274 unq 3 iso 0 dist 7.86884 8.92279 5.38704 15.3165 9.40401 7.5856 numMergedOcc 0
16 mol 274 unq 4 iso 0 dist 7.86884 14.4918 8.05503 11.8328 9.00595 6.26815 numMergedOcc 0
17 mol 274 unq 5 iso 0 dist 7.86884 14.4918 8.05503 15.3165 9.40401 5.04738 numMergedOcc 0
18 mol 280 unq 0 iso 0 dist 7.11605 11.1583 9.047 9.85019 6.16546 12.331 numMergedOcc 0
19 mol 280 unq 1 iso 0 dist 7.11605 15.3737 9.9227 9.85019 6.16546 7.42656 numMergedOcc 0
20 mol 283 unq 0 iso 0 dist 7.11407 10.6738 6.15136 9.46362 8.39635 8.90736 numMergedOcc 0
