0 mol 21 unq 0 iso 0 dist 6.97295 9.29842 9.3814 12.2506 7.30688 13.5668 numMergedOcc 0
1 mol 21 unq 1 iso 0 dist 6.97295 9.29842 9.3814 8.76382 6.70786 15.4479 numMergedOcc 0
2 mol 21 unq 2 iso 0 dist 6.97295 9.29842 9.3814 10.1879 8.16395 16.5913 numMergedOcc 0
3 mol 53 unq 0 iso 0 dist 6.26613 7.20005 5.02495 12.858 8.79235 13.3389 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 5.68303 9.74289 13.0823 6.98599 8.52421 16.5022 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 8.09587 9.79714 13.0619 9.4173 8.12959 8.13108 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 5.2929 6.61066 6.07331 4.71965 9.03339 10.6901 numMergedOcc 0
7 mol 115 unq 1 iso 0 dist 5.2929 6.3982 5.3967 4.71965 9.03339 8.9498 numMergedOcc 0
8 mol 116 unq 0 iso 0 dist 7.64107 6.12388 9.1425 4.28638 8.28931 10.2168 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 9.83241 9.54663 4.80675 5.71616 9.31543 6.69691 numMergedOcc 0
10 mol 129 unq 1 iso 0 dist 9.83241 9.54663 4.80675 11.0564 8.85652 5.51197 numMergedOcc 0
11 mol 158 unq 0 iso 0 dist 6.06276 8.45117 8.38978 4.77306 4.89503 9.82249 numMergedOcc 0
12 mol 168 unq 0 iso 0 dist 8.66519 7.53748 12.8964 5.5458 5.03696 12.0682 numMergedOcc 0
13 mol 182 unq 0 iso 0 dist 7.67974 7.21035 4.85077 4.16926 8.8774 9.56028 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 7.17789 5.47189 12.5982 6.70611 5.27578 10.8806 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 8.86673 7.69466 10.0248 5.60861 9.76574 8.73533 numMergedOcc 0
16 mol 236 unq 0 iso 0 dist 7.73969 6.67907 5.52669 7.15922 9.67162 8.23087 numMergedOcc 0
17 mol 236 unq 1 iso 0 dist 7.73969 6.0087 5.27568 7.15922 9.67162 11.5798 numMergedOcc 0
18 mol 257 unq 0 iso 0 dist 9.91996 5.16581 5.54149 5.48725 8.27649 6.34915 numMergedOcc 0
19 mol 257 unq 1 iso 0 dist 9.91996 5.13633 10.8918 5.48725 8.27649 7.81897 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 6.92271 6.86014 5.77904 14.6762 9.91103 8.9682 numMergedOcc 0
21 mol 277 unq 1 iso 0 dist 6.92271 6.86014 5.77904 11.68 7.0603 6.92711 numMergedOcc 0
22 mol 277 unq 2 iso 0 dist 8.62666 5.97073 5.77904 11.3103 9.91103 8.9682 numMergedOcc 0
23 mol 277 unq 3 iso 0 dist 8.62666 5.97073 5.77904 10.5734 7.0603 6.92711 numMergedOcc 0
