0 mol 37 unq 0 iso 0 dist 7.65802 8.82649 5.58769 11.5334 11.3358 6.84337 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 9.53081 8.80334 16.9756 14.2257 23.0537 7.34031 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 5.41357 8.64746 4.97497 7.07433 5.94373 9.32552 numMergedOcc 0
3 mol 64 unq 1 iso 0 dist 9.30042 8.64746 6.60091 7.07433 9.97062 9.32552 numMergedOcc 0
4 mol 105 unq 0 iso 0 dist 6.11833 9.3724 6.10266 8.65154 8.40598 5.03173 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 8.76088 6.61636 12.398 10.745 17.5808 6.51868 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 8.76088 6.61636 12.398 11.3682 18.9418 7.34698 numMergedOcc 0
7 mol 135 unq 0 iso 0 dist 8.3937 8.6132 6.82381 6.32401 11.2216 7.12936 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 5.40826 8.57285 6.60792 8.28318 10.3805 9.30424 numMergedOcc 0
9 mol 167 unq 0 iso 0 dist 7.20545 9.72291 10.4219 7.33075 12.98 7.80054 numMergedOcc 0
10 mol 189 unq 0 iso 0 dist 6.77641 4.96433 5.88642 6.37312 10.5147 6.31466 numMergedOcc 0
11 mol 189 unq 1 iso 0 dist 7.54658 4.96433 4.8442 6.37312 10.9697 6.31466 numMergedOcc 0
12 mol 239 unq 0 iso 0 dist 9.01071 4.57548 11.2678 5.86546 14.3757 7.02079 numMergedOcc 0
13 mol 239 unq 1 iso 0 dist 9.01071 4.57548 11.2678 8.35939 13.4934 5.88802 numMergedOcc 0
14 mol 239 unq 2 iso 0 dist 8.86185 4.57548 4.81796 5.86546 8.87182 7.02079 numMergedOcc 0
15 mol 239 unq 3 iso 0 dist 8.86185 4.57548 4.81796 8.35939 5.95622 5.88802 numMergedOcc 0
16 mol 259 unq 0 iso 0 dist 9.86267 9.44826 3.83813 15.4791 12.3676 8.92185 numMergedOcc 0
17 mol 273 unq 0 iso 0 dist 5.78262 6.59786 8.67797 7.10817 9.16554 8.68913 numMergedOcc 0
18 mol 273 unq 1 iso 0 dist 5.78262 7.96519 13.2599 4.30863 8.83491 8.85779 numMergedOcc 0
19 mol 273 unq 2 iso 0 dist 7.6489 6.59786 9.47855 7.10817 14.4972 8.68913 numMergedOcc 0
20 mol 273 unq 3 iso 0 dist 7.6489 7.96519 10.9195 4.30863 9.02711 8.85779 numMergedOcc 0
