0 mol 20 unq 0 iso 0 dist 7.89835 9.94205 3.49913 4.14436 7.14069 8.58641 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 7.89835 9.08453 6.04869 4.14436 7.14069 5.99466 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 9.94205 7.89835 3.49913 4.14436 8.58641 7.14069 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 9.94205 9.08453 4.86529 4.14436 8.58641 5.99466 numMergedOcc 0
4 mol 20 unq 4 iso 0 dist 9.08453 7.89835 6.04869 4.14436 5.99466 7.14069 numMergedOcc 0
5 mol 20 unq 5 iso 0 dist 9.08453 7.89835 6.04869 9.3714 9.07213 12.4598 numMergedOcc 0
6 mol 20 unq 6 iso 0 dist 9.08453 9.94205 4.86529 4.14436 5.99466 8.58641 numMergedOcc 0
7 mol 20 unq 7 iso 0 dist 9.08453 9.94205 4.86529 9.3714 9.07213 13.3189 numMergedOcc 0
8 mol 21 unq 0 iso 0 dist 6.29808 7.46409 5.3862 4.09637 5.63735 6.28263 numMergedOcc 0
9 mol 21 unq 1 iso 0 dist 6.29808 8.99131 10.2516 4.09637 5.63735 11.4263 numMergedOcc 0
10 mol 21 unq 2 iso 0 dist 7.46409 6.29808 5.3862 4.09637 6.28263 5.63735 numMergedOcc 0
11 mol 21 unq 3 iso 0 dist 7.46409 8.99131 8.34961 4.09637 6.28263 11.4263 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 6.40189 5.22014 3.73215 4.98286 4.5711 4.44526 numMergedOcc 0
13 mol 24 unq 1 iso 0 dist 5.22014 6.40189 3.73215 4.98286 4.44526 4.5711 numMergedOcc 0
14 mol 24 unq 2 iso 0 dist 5.22014 6.40189 3.73215 12.988 9.586 12.6707 numMergedOcc 0
15 mol 25 unq 0 iso 0 dist 8.26412 8.94262 4.99257 4.93307 6.29797 9.35837 numMergedOcc 0
16 mol 58 unq 0 iso 0 dist 9.1791 6.86485 7.13086 4.7391 7.58739 9.01564 numMergedOcc 0
17 mol 58 unq 1 iso 0 dist 9.1791 8.37546 5.68445 4.7391 7.58739 7.11065 numMergedOcc 0
18 mol 58 unq 2 iso 0 dist 6.86485 9.1791 7.13086 4.7391 9.01564 7.58739 numMergedOcc 0
19 mol 58 unq 3 iso 0 dist 6.86485 8.37546 6.20884 4.7391 9.01564 7.11065 numMergedOcc 0
20 mol 58 unq 4 iso 0 dist 8.37546 9.1791 5.68445 4.7391 7.11065 7.58739 numMergedOcc 0
21 mol 58 unq 5 iso 0 dist 8.37546 6.86485 6.20884 4.7391 7.11065 9.01564 numMergedOcc 0
22 mol 58 unq 6 iso 0 dist 8.26586 9.76234 7.13086 4.35705 7.58739 9.01564 numMergedOcc 0
23 mol 58 unq 7 iso 0 dist 9.76234 8.26586 7.13086 4.35705 9.01564 7.58739 numMergedOcc 0
24 mol 79 unq 0 iso 0 dist 8.52697 9.66612 3.78041 12.6241 9.77084 13.4224 numMergedOcc 0
25 mol 85 unq 0 iso 0 dist 6.24296 6.83218 3.78063 4.32784 5.05893 5.71866 numMergedOcc 0
26 mol 85 unq 1 iso 0 dist 6.83218 6.24296 3.78063 4.32784 5.71866 5.05893 numMergedOcc 0
27 mol 92 unq 0 iso 0 dist 9.61144 6.13521 6.02822 5.60623 6.59716 6.87506 numMergedOcc 0
28 mol 92 unq 1 iso 0 dist 6.13521 9.61144 6.02822 5.60623 6.87506 6.59716 numMergedOcc 0
29 mol 93 unq 0 iso 0 dist 9.43355 5.64141 5.21654 17.826 9.19977 14.2126 numMergedOcc 0
30 mol 93 unq 1 iso 0 dist 9.43355 5.64141 5.21654 16.0131 7.28831 11.6193 numMergedOcc 0
31 mol 93 unq 2 iso 0 dist 9.43355 5.64141 5.21654 11.7408 9.71411 12.2183 numMergedOcc 0
32 mol 93 unq 3 iso 0 dist 9.43355 5.46186 13.3531 17.826 9.19977 20.7659 numMergedOcc 0
33 mol 93 unq 4 iso 0 dist 9.43355 5.46186 13.3531 16.0131 7.28831 19.8987 numMergedOcc 0
34 mol 93 unq 5 iso 0 dist 9.43355 5.46186 13.3531 11.7408 9.71411 11.9145 numMergedOcc 0
35 mol 98 unq 0 iso 0 dist 5.44426 7.63284 9.6331 14.3798 9.84703 17.5956 numMergedOcc 0
36 mol 98 unq 1 iso 0 dist 5.44426 7.63284 9.6331 9.0917 4.62494 9.84743 numMergedOcc 0
37 mol 129 unq 0 iso 0 dist 8.62413 8.4375 5.94312 6.02377 6.34626 10.0995 numMergedOcc 0
38 mol 129 unq 1 iso 0 dist 8.62413 6.93102 9.74141 6.02377 6.34626 11.4468 numMergedOcc 0
39 mol 222 unq 0 iso 0 dist 8.79662 6.6497 4.79329 10.4451 8.23406 11.1518 numMergedOcc 0
