0 mol 34 unq 0 iso 0 dist 4.97286 6.00825 4.50643 9.32818 6.10527 9.10681 numMergedOcc 0
1 mol 39 unq 0 iso 0 dist 6.38956 12.0212 8.76925 16.6515 11.0291 7.95922 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 9.37127 10.2246 9.52298 10.1189 5.83937 8.55825 numMergedOcc 0
3 mol 46 unq 1 iso 0 dist 9.37127 10.2246 9.52298 7.16724 7.50884 9.30086 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 8.87326 8.24627 5.48997 8.90005 4.3044 8.52142 numMergedOcc 0
5 mol 68 unq 1 iso 0 dist 5.99047 9.16318 5.48997 6.43426 4.3044 8.52142 numMergedOcc 0
6 mol 105 unq 0 iso 0 dist 6.37212 11.0792 9.96269 11.4053 7.72197 5.36878 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 8.58727 7.22293 5.92836 9.94882 6.14253 7.55581 numMergedOcc 0
8 mol 151 unq 0 iso 0 dist 7.81284 3.79396 5.89468 12.197 8.25671 8.70668 numMergedOcc 0
9 mol 172 unq 0 iso 0 dist 6.16303 8.65462 4.90175 14.605 9.70426 9.40213 numMergedOcc 0
10 mol 172 unq 1 iso 0 dist 6.16303 8.65462 4.90175 17.2743 12.33 8.75042 numMergedOcc 0
11 mol 203 unq 0 iso 0 dist 7.93452 6.96195 9.47882 11.5753 7.84676 8.02341 numMergedOcc 0
12 mol 241 unq 0 iso 0 dist 9.89398 4.51587 8.00841 4.80928 10.4606 4.66398 numMergedOcc 0
13 mol 241 unq 1 iso 0 dist 9.89398 4.51587 8.00841 9.92576 5.2107 9.05448 numMergedOcc 0
14 mol 280 unq 0 iso 0 dist 8.45851 11.5456 6.38295 14.7581 7.87626 7.11605 numMergedOcc 0
15 mol 287 unq 0 iso 0 dist 7.51034 4.98898 7.58907 12.4411 9.44841 8.85872 numMergedOcc 0
16 mol 287 unq 1 iso 0 dist 6.99084 7.01799 8.5458 11.0444 10.5276 8.01428 numMergedOcc 0
17 mol 287 unq 2 iso 0 dist 5.1936 7.01799 8.47385 11.0444 8.40959 8.01428 numMergedOcc 0
18 mol 288 unq 0 iso 0 dist 7.51034 4.98898 7.58907 12.4411 9.44841 8.85872 numMergedOcc 0
19 mol 288 unq 1 iso 0 dist 6.99084 7.01799 8.5458 11.0444 10.5276 8.01428 numMergedOcc 0
20 mol 288 unq 2 iso 0 dist 5.1936 7.01799 8.47385 11.0444 8.40959 8.01428 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 7.51034 4.98898 7.58907 12.4411 9.44841 8.85872 numMergedOcc 0
22 mol 289 unq 1 iso 0 dist 6.99084 7.01799 8.5458 11.0444 10.5276 8.01428 numMergedOcc 0
23 mol 289 unq 2 iso 0 dist 5.1936 7.01799 8.47385 11.0444 8.40959 8.01428 numMergedOcc 0
