0 mol 43 unq 0 iso 0 dist 8.06275 8.74209 5.41726 8.60781 9.83618 13.07 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 9.43143 9.73435 4.03844 12.1059 6.77912 6.53824 numMergedOcc 0
2 mol 72 unq 1 iso 0 dist 5.48831 9.20886 7.07356 5.94737 7.321 9.437 numMergedOcc 0
3 mol 89 unq 0 iso 0 dist 8.85873 7.02228 6.13636 5.95725 8.75946 9.8042 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 8.49531 7.84956 10.2496 6.33328 8.67367 9.84457 numMergedOcc 0
5 mol 95 unq 1 iso 0 dist 8.49531 8.57607 16.6518 6.33328 8.67367 12.5791 numMergedOcc 0
6 mol 95 unq 2 iso 0 dist 8.49531 6.1991 13.1525 6.33328 8.67367 12.3629 numMergedOcc 0
7 mol 95 unq 3 iso 0 dist 8.49531 5.96246 7.26851 6.33328 8.67367 10.8228 numMergedOcc 0
8 mol 102 unq 0 iso 0 dist 8.84131 9.16431 7.75097 6.87786 9.94856 14.3874 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 9.26438 6.62354 5.00433 10.7144 5.87358 9.74008 numMergedOcc 0
10 mol 109 unq 1 iso 0 dist 6.43255 8.00085 5.00433 9.77909 5.87358 9.74008 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 9.42271 7.76446 15.9138 11.8215 8.6355 14.0978 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 9.42271 6.14652 12.3479 11.8215 8.6355 11.7151 numMergedOcc 0
13 mol 134 unq 2 iso 0 dist 7.30919 7.96353 5.03507 9.87127 8.94837 10.253 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 8.34839 9.4275 5.39112 4.99991 9.13561 10.5081 numMergedOcc 0
15 mol 152 unq 1 iso 0 dist 8.34839 9.83462 4.84714 4.99991 9.13561 12.0501 numMergedOcc 0
16 mol 178 unq 0 iso 0 dist 8.04723 8.81097 10.8373 11.7065 8.96511 18.4773 numMergedOcc 0
17 mol 218 unq 0 iso 0 dist 8.95233 7.64563 6.45316 11.3848 9.50586 11.9528 numMergedOcc 0
18 mol 218 unq 1 iso 0 dist 8.95233 7.64563 6.45316 12.6102 7.13323 10.6021 numMergedOcc 0
19 mol 248 unq 0 iso 0 dist 7.40475 5.65458 7.48679 10.2858 6.07192 12.7847 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 7.23956 9.22453 3.97543 12.9898 9.41725 12.3265 numMergedOcc 0
