0 mol 21 unq 0 iso 0 dist 6.97295 9.29842 9.3814 9.14995 8.85347 11.3184 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 9.80157 9.40763 12.4427 6.7276 8.23292 5.04899 numMergedOcc 0
2 mol 42 unq 0 iso 0 dist 9.83301 9.82536 14.514 7.92237 8.52254 14.4686 numMergedOcc 0
3 mol 42 unq 1 iso 0 dist 9.83301 8.77998 11.4032 7.92237 8.52254 14.2338 numMergedOcc 0
4 mol 53 unq 0 iso 0 dist 6.26613 7.20005 5.02495 6.5074 8.62669 12.3257 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 5.68303 9.74289 13.0823 10.2854 9.7754 20.0174 numMergedOcc 0
6 mol 75 unq 0 iso 0 dist 6.76977 8.70094 5.2027 6.54018 7.16583 11.673 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 9.26301 7.91231 7.65733 15.8173 9.24515 12.6649 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 5.2929 6.61066 6.07331 6.06993 8.93552 4.99221 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 5.2929 6.61066 6.07331 5.29965 8.35604 11.5333 numMergedOcc 0
10 mol 115 unq 2 iso 0 dist 5.2929 6.3982 5.3967 6.06993 8.93552 11.2489 numMergedOcc 0
11 mol 115 unq 3 iso 0 dist 5.2929 6.3982 5.3967 5.29965 8.35604 5.11551 numMergedOcc 0
12 mol 115 unq 4 iso 0 dist 6.17589 6.61066 7.09627 6.06993 6.20658 4.99221 numMergedOcc 0
13 mol 115 unq 5 iso 0 dist 6.17589 6.61066 7.09627 5.29965 7.83568 11.5333 numMergedOcc 0
14 mol 115 unq 6 iso 0 dist 6.17589 6.3982 7.10772 6.06993 6.20658 11.2489 numMergedOcc 0
15 mol 115 unq 7 iso 0 dist 6.17589 6.3982 7.10772 5.29965 7.83568 5.11551 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 7.88346 9.03233 14.8495 12.628 7.5984 19.804 numMergedOcc 0
17 mol 158 unq 0 iso 0 dist 6.06276 8.45117 8.38978 8.1066 8.34161 15.0381 numMergedOcc 0
18 mol 158 unq 1 iso 0 dist 6.06276 8.45117 8.38978 5.155 6.95381 12.9298 numMergedOcc 0
19 mol 173 unq 0 iso 0 dist 4.85278 9.72828 8.40346 9.63894 8.70197 16.9856 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 8.86673 7.69466 10.0248 4.33134 8.03597 10.818 numMergedOcc 0
21 mol 186 unq 1 iso 0 dist 8.9867 8.58465 8.03427 5.22923 6.86297 8.87694 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 9.64006 6.9028 9.18635 15.7646 8.9077 14.106 numMergedOcc 0
23 mol 229 unq 0 iso 0 dist 5.95601 9.48923 8.44287 6.23286 8.0007 10.0037 numMergedOcc 0
24 mol 229 unq 1 iso 0 dist 5.95601 9.67544 5.29674 6.23286 8.0007 9.87838 numMergedOcc 0
25 mol 236 unq 0 iso 0 dist 7.73969 6.67907 5.52669 5.81354 6.73134 8.04248 numMergedOcc 0
26 mol 236 unq 1 iso 0 dist 7.73969 6.0087 5.27568 5.81354 6.73134 8.35971 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 6.92271 6.86014 5.77904 6.29035 9.84188 12.5685 numMergedOcc 0
28 mol 277 unq 1 iso 0 dist 6.92271 6.86014 5.77904 4.83355 8.35794 9.7748 numMergedOcc 0
29 mol 277 unq 2 iso 0 dist 8.62666 5.97073 5.77904 15.7541 9.84188 12.5685 numMergedOcc 0
30 mol 277 unq 3 iso 0 dist 8.62666 5.97073 5.77904 11.2857 8.35794 9.7748 numMergedOcc 0
31 mol 281 unq 0 iso 0 dist 5.53313 8.32692 5.81338 9.02336 9.65665 14.518 numMergedOcc 0
