0 mol 20 unq 0 iso 0 dist 7.89835 4.14436 7.14069 9.94205 3.49913 8.58641 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 7.89835 4.14436 7.14069 9.08453 6.04869 5.99466 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 9.94205 4.14436 8.58641 7.89835 3.49913 7.14069 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 9.94205 4.14436 8.58641 9.08453 4.86529 5.99466 numMergedOcc 0
4 mol 20 unq 4 iso 0 dist 9.08453 4.14436 5.99466 7.89835 6.04869 7.14069 numMergedOcc 0
5 mol 20 unq 5 iso 0 dist 9.08453 4.14436 5.99466 9.94205 4.86529 8.58641 numMergedOcc 0
6 mol 21 unq 0 iso 0 dist 6.29808 4.09637 5.63735 7.46409 5.3862 6.28263 numMergedOcc 0
7 mol 21 unq 1 iso 0 dist 7.46409 4.09637 6.28263 6.29808 5.3862 5.63735 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 9.78903 11.2286 5.78532 20.4728 13.2892 9.73647 numMergedOcc 0
9 mol 24 unq 1 iso 0 dist 9.78903 11.2286 5.78532 16.1746 7.46758 7.26334 numMergedOcc 0
10 mol 24 unq 2 iso 0 dist 9.78903 13.8528 8.49709 16.1746 7.46758 6.19899 numMergedOcc 0
11 mol 24 unq 3 iso 0 dist 6.40189 4.98286 4.5711 12.4244 6.08292 9.33304 numMergedOcc 0
12 mol 24 unq 4 iso 0 dist 6.40189 4.98286 4.5711 5.22014 3.73215 4.44526 numMergedOcc 0
13 mol 24 unq 5 iso 0 dist 5.22014 4.98286 4.44526 12.4244 8.40153 9.33304 numMergedOcc 0
14 mol 24 unq 6 iso 0 dist 5.22014 4.98286 4.44526 6.40189 3.73215 4.5711 numMergedOcc 0
15 mol 30 unq 0 iso 0 dist 9.16278 7.06531 6.00377 10.8448 3.6458 9.35623 numMergedOcc 0
16 mol 30 unq 1 iso 0 dist 9.16278 7.06531 6.00377 9.28461 6.23294 9.4577 numMergedOcc 0
17 mol 30 unq 2 iso 0 dist 8.93805 8.03355 9.4577 10.9038 6.23294 6.00377 numMergedOcc 0
18 mol 30 unq 3 iso 0 dist 8.93805 8.03355 9.4577 12.3291 4.77197 9.35623 numMergedOcc 0
19 mol 30 unq 4 iso 0 dist 9.83449 12.0074 9.4577 13.7061 6.23294 6.00377 numMergedOcc 0
20 mol 30 unq 5 iso 0 dist 9.83449 12.0074 9.4577 14.1671 4.77197 9.35623 numMergedOcc 0
21 mol 30 unq 6 iso 0 dist 9.67564 10.2236 6.00377 12.3646 3.6458 9.35623 numMergedOcc 0
22 mol 30 unq 7 iso 0 dist 9.67564 10.2236 6.00377 15.8717 6.23294 9.4577 numMergedOcc 0
23 mol 58 unq 0 iso 0 dist 9.1791 4.7391 7.58739 6.86485 7.13086 9.01564 numMergedOcc 0
24 mol 58 unq 1 iso 0 dist 9.1791 4.7391 7.58739 8.37546 5.68445 7.11065 numMergedOcc 0
25 mol 58 unq 2 iso 0 dist 6.86485 4.7391 9.01564 9.1791 7.13086 7.58739 numMergedOcc 0
26 mol 58 unq 3 iso 0 dist 6.86485 4.7391 9.01564 8.37546 6.20884 7.11065 numMergedOcc 0
27 mol 58 unq 4 iso 0 dist 8.37546 4.7391 7.11065 9.1791 5.68445 7.58739 numMergedOcc 0
28 mol 58 unq 5 iso 0 dist 8.37546 4.7391 7.11065 6.86485 6.20884 9.01564 numMergedOcc 0
29 mol 58 unq 6 iso 0 dist 8.26586 4.35705 7.58739 9.76234 7.13086 9.01564 numMergedOcc 0
30 mol 58 unq 7 iso 0 dist 8.26586 4.35705 7.58739 10.1165 5.68445 7.11065 numMergedOcc 0
31 mol 58 unq 8 iso 0 dist 9.76234 4.35705 9.01564 8.26586 7.13086 7.58739 numMergedOcc 0
32 mol 58 unq 9 iso 0 dist 9.76234 4.35705 9.01564 10.1165 6.20884 7.11065 numMergedOcc 0
33 mol 79 unq 0 iso 0 dist 8.52697 12.6241 9.77084 9.9818 6.48468 6.5551 numMergedOcc 0
34 mol 85 unq 0 iso 0 dist 6.24296 4.32784 5.05893 6.83218 3.78063 5.71866 numMergedOcc 0
35 mol 85 unq 1 iso 0 dist 6.83218 4.32784 5.71866 6.24296 3.78063 5.05893 numMergedOcc 0
36 mol 92 unq 0 iso 0 dist 9.61144 5.60623 6.59716 6.13521 6.02822 6.87506 numMergedOcc 0
37 mol 92 unq 1 iso 0 dist 6.13521 5.60623 6.87506 9.61144 6.02822 6.59716 numMergedOcc 0
38 mol 98 unq 0 iso 0 dist 5.44426 14.3798 9.84703 10.877 6.70343 9.25444 numMergedOcc 0
39 mol 98 unq 1 iso 0 dist 5.44426 9.0917 4.62494 10.877 6.70343 8.46823 numMergedOcc 0
40 mol 98 unq 2 iso 0 dist 8.65429 14.1628 9.25444 13.0419 6.70343 9.84703 numMergedOcc 0
41 mol 98 unq 3 iso 0 dist 8.65429 16.4829 8.46823 13.0419 6.70343 4.62494 numMergedOcc 0
42 mol 169 unq 0 iso 0 dist 8.66311 6.07908 6.05009 10.2304 3.71099 6.0859 numMergedOcc 0
43 mol 181 unq 0 iso 0 dist 9.19831 6.15536 8.59681 12.2912 13.0097 8.12266 numMergedOcc 0
44 mol 181 unq 1 iso 0 dist 9.19831 6.15536 8.59681 12.82 6.02942 9.43306 numMergedOcc 0
45 mol 181 unq 2 iso 0 dist 7.83476 4.19412 8.12266 12.7598 10.1041 9.43306 numMergedOcc 0
46 mol 181 unq 3 iso 0 dist 7.83476 4.19412 8.12266 12.7707 13.0097 8.59681 numMergedOcc 0
47 mol 186 unq 0 iso 0 dist 8.28282 5.39899 6.88127 10.6616 8.40937 6.56416 numMergedOcc 0
48 mol 196 unq 0 iso 0 dist 4.48862 10.0025 8.48879 9.17772 7.12401 5.89591 numMergedOcc 0
49 mol 196 unq 1 iso 0 dist 4.48862 10.0025 8.48879 15.2069 13.9022 9.72376 numMergedOcc 0
50 mol 222 unq 0 iso 0 dist 8.79662 10.4451 8.23406 12.091 3.58181 8.43195 numMergedOcc 0
