0 mol 27 unq 0 iso 0 dist 9.32099 5.56554 7.78697 9.74075 4.60687 6.34819 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 9.99766 5.56554 9.40719 9.74075 5.07229 6.34819 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 5.32407 6.72942 6.42569 8.16593 5.5138 5.52908 numMergedOcc 0
3 mol 33 unq 1 iso 0 dist 6.53102 6.72942 9.13872 8.16593 9.29927 5.52908 numMergedOcc 0
4 mol 33 unq 2 iso 0 dist 7.76575 6.72942 7.27307 8.16593 8.71323 5.52908 numMergedOcc 0
5 mol 33 unq 3 iso 0 dist 9.74394 6.72942 5.73206 8.16593 10.1727 5.52908 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 8.1125 4.42004 6.44158 7.16143 6.20447 8.95619 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 6.48746 12.0987 9.82294 9.41957 4.69203 7.32896 numMergedOcc 0
8 mol 69 unq 0 iso 0 dist 9.40266 6.16362 7.00234 13.4496 8.94791 8.90763 numMergedOcc 0
9 mol 69 unq 1 iso 0 dist 9.34288 12.391 7.30652 10.4907 4.2124 8.90763 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 6.74947 12.8281 8.52591 17.0594 10.75 8.07336 numMergedOcc 0
11 mol 226 unq 0 iso 0 dist 9.31677 4.52889 9.03261 9.45587 4.31761 9.8349 numMergedOcc 0
12 mol 226 unq 1 iso 0 dist 9.31677 12.1893 7.67573 9.45587 4.31761 6.72708 numMergedOcc 0
13 mol 233 unq 0 iso 0 dist 7.55878 14.8036 8.01777 9.44988 5.89828 9.40942 numMergedOcc 0
14 mol 233 unq 1 iso 0 dist 7.55878 14.8036 8.01777 16.4792 8.98176 6.56138 numMergedOcc 0
15 mol 233 unq 2 iso 0 dist 4.91191 4.26152 8.01777 8.08374 5.89828 9.40942 numMergedOcc 0
16 mol 233 unq 3 iso 0 dist 4.91191 4.26152 8.01777 8.2689 8.98176 6.56138 numMergedOcc 0
17 mol 241 unq 0 iso 0 dist 8.6399 4.66218 8.48816 11.0695 3.97384 9.54502 numMergedOcc 0
18 mol 241 unq 1 iso 0 dist 8.6399 4.66218 8.48816 10.6987 7.58976 9.96797 numMergedOcc 0
19 mol 241 unq 2 iso 0 dist 8.6399 9.65566 9.8198 11.0695 3.97384 8.90657 numMergedOcc 0
20 mol 247 unq 0 iso 0 dist 6.35578 10.9079 9.75065 11.6468 8.17977 8.19081 numMergedOcc 0
