0 mol 48 unq 0 iso 0 dist 6.04551 7.44442 4.96308 6.8073 6.62574 9.59823 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 6.04551 7.44442 4.96308 5.60663 9.48836 7.89394 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 8.36915 7.31914 5.09588 6.42242 13.1229 9.51443 numMergedOcc 0
3 mol 48 unq 3 iso 0 dist 6.01454 7.31914 5.01407 6.42242 6.98858 9.51443 numMergedOcc 0
4 mol 48 unq 4 iso 0 dist 6.31161 7.44442 7.11559 6.8073 12.2137 9.59823 numMergedOcc 0
5 mol 48 unq 5 iso 0 dist 6.31161 7.44442 7.11559 5.60663 5.2902 7.89394 numMergedOcc 0
6 mol 60 unq 0 iso 0 dist 9.54864 8.4928 10.5228 8.04272 5.86954 4.82351 numMergedOcc 0
7 mol 63 unq 0 iso 0 dist 9.35912 9.16658 10.9414 5.55574 8.07336 12.5323 numMergedOcc 0
8 mol 63 unq 1 iso 0 dist 9.35912 8.94047 10.57 5.55574 8.07336 9.63391 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 8.4438 5.14178 5.7253 6.82707 7.94629 9.43915 numMergedOcc 0
10 mol 79 unq 0 iso 0 dist 7.41952 6.07578 3.51719 7.99438 9.30887 10.3996 numMergedOcc 0
11 mol 79 unq 1 iso 0 dist 7.41952 6.07578 3.51719 6.64915 11.3722 11.2341 numMergedOcc 0
12 mol 79 unq 2 iso 0 dist 7.41952 9.56449 5.15963 7.99438 9.30887 6.74663 numMergedOcc 0
13 mol 79 unq 3 iso 0 dist 7.41952 9.56449 5.15963 6.64915 11.3722 10.4197 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 7.12199 7.36744 3.98556 5.74593 7.27534 5.32989 numMergedOcc 0
15 mol 92 unq 1 iso 0 dist 7.12199 7.36744 3.98556 8.02376 9.23369 5.84351 numMergedOcc 0
16 mol 92 unq 2 iso 0 dist 7.90837 7.36744 6.83871 5.74593 9.58876 5.32989 numMergedOcc 0
17 mol 92 unq 3 iso 0 dist 7.90837 7.36744 6.83871 8.02376 5.64135 5.84351 numMergedOcc 0
18 mol 92 unq 4 iso 0 dist 9.56884 9.08316 3.74485 6.15654 7.21296 5.43086 numMergedOcc 0
19 mol 92 unq 5 iso 0 dist 9.56884 9.08316 3.74485 7.89887 9.18931 6.04936 numMergedOcc 0
20 mol 92 unq 6 iso 0 dist 8.67865 9.08316 11.741 6.15654 9.52463 5.43086 numMergedOcc 0
21 mol 92 unq 7 iso 0 dist 8.67865 9.08316 11.741 7.89887 6.07224 6.04936 numMergedOcc 0
22 mol 92 unq 8 iso 0 dist 8.40148 9.08316 6.7118 6.15654 9.30089 5.43086 numMergedOcc 0
23 mol 92 unq 9 iso 0 dist 8.40148 9.08316 6.7118 7.89887 5.77554 6.04936 numMergedOcc 0
24 mol 171 unq 0 iso 0 dist 9.47945 6.81707 10.6959 6.4751 15.864 9.18337 numMergedOcc 0
25 mol 171 unq 1 iso 0 dist 9.47945 6.81707 10.6959 5.75085 14.3848 8.83874 numMergedOcc 0
26 mol 173 unq 0 iso 0 dist 5.97008 4.0037 8.32122 9.31172 14.253 11.4153 numMergedOcc 0
27 mol 239 unq 0 iso 0 dist 5.38325 8.29649 11.4323 8.89981 5.34167 14.012 numMergedOcc 0
28 mol 239 unq 1 iso 0 dist 8.34832 9.36997 12.8764 6.91534 15.1473 12.5953 numMergedOcc 0
29 mol 239 unq 2 iso 0 dist 8.34832 9.36997 12.8764 8.67704 16.5164 10.9512 numMergedOcc 0
30 mol 239 unq 3 iso 0 dist 8.34832 9.97907 14.9673 6.91534 15.1473 11.4843 numMergedOcc 0
31 mol 239 unq 4 iso 0 dist 8.34832 9.97907 14.9673 8.67704 16.5164 7.06824 numMergedOcc 0
32 mol 239 unq 5 iso 0 dist 8.34832 8.83751 8.27455 6.91534 15.1473 13.3917 numMergedOcc 0
33 mol 239 unq 6 iso 0 dist 8.34832 8.83751 8.27455 8.67704 16.5164 14.4176 numMergedOcc 0
34 mol 239 unq 7 iso 0 dist 8.34832 8.77688 13.5505 6.91534 15.1473 9.38172 numMergedOcc 0
35 mol 239 unq 8 iso 0 dist 8.34832 8.77688 13.5505 8.67704 16.5164 9.33091 numMergedOcc 0
36 mol 261 unq 0 iso 0 dist 9.70222 6.40153 7.25156 6.45102 5.48108 4.58184 numMergedOcc 0
37 mol 261 unq 1 iso 0 dist 9.71882 6.20912 7.25156 9.20425 5.48108 4.58184 numMergedOcc 0
38 mol 266 unq 0 iso 0 dist 8.61786 9.98606 11.1063 9.54381 5.4894 8.62248 numMergedOcc 0
39 mol 266 unq 1 iso 0 dist 8.42706 9.98606 17.6604 9.54381 15.3099 8.62248 numMergedOcc 0
40 mol 279 unq 0 iso 0 dist 5.78017 7.5355 7.91886 9.29922 13.4771 8.43508 numMergedOcc 0
41 mol 279 unq 1 iso 0 dist 8.78203 7.5355 9.00832 9.29922 12.7014 8.43508 numMergedOcc 0
42 mol 282 unq 0 iso 0 dist 8.61456 6.91282 6.85098 7.84236 10.9966 8.43801 numMergedOcc 0
43 mol 284 unq 0 iso 0 dist 9.47963 9.12227 12.8423 6.76508 4.2364 8.8928 numMergedOcc 0
