0 mol 19 unq 0 iso 0 dist 9.80108 7.16903 5.64498 9.32205 8.19695 3.86173 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 9.80108 7.16903 5.64498 4.96411 7.02548 5.46754 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 8.58657 10.3465 5.64498 13.0631 8.19695 3.86173 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 8.58657 10.3465 5.64498 7.08342 7.02548 5.46754 numMergedOcc 0
4 mol 21 unq 0 iso 0 dist 6.08338 4.8024 8.5005 10.6971 6.93185 9.81757 numMergedOcc 0
5 mol 27 unq 0 iso 0 dist 9.77484 12.2831 7.56229 6.65855 8.71752 12.7388 numMergedOcc 0
6 mol 27 unq 1 iso 0 dist 9.77484 12.2831 7.56229 14.3929 7.60283 13.3658 numMergedOcc 0
7 mol 27 unq 2 iso 0 dist 9.77484 12.8759 9.94082 6.65855 8.71752 6.50158 numMergedOcc 0
8 mol 27 unq 3 iso 0 dist 9.77484 12.8759 9.94082 14.3929 7.60283 5.92112 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 9.39469 12.5518 8.72187 9.36726 7.09065 13.2428 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 9.39469 5.69505 6.57181 9.36726 7.09065 4.50298 numMergedOcc 0
11 mol 100 unq 2 iso 0 dist 4.76815 6.77491 8.72187 7.16919 7.09065 13.2428 numMergedOcc 0
12 mol 100 unq 3 iso 0 dist 4.76815 3.94305 6.57181 7.16919 7.09065 4.50298 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 7.76729 10.3986 9.79579 14.0688 7.70313 11.2619 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 6.99777 8.7198 9.82136 5.22052 5.60389 5.3899 numMergedOcc 0
15 mol 115 unq 2 iso 0 dist 7.64585 10.3233 9.6234 6.40494 7.52142 4.06012 numMergedOcc 0
16 mol 173 unq 0 iso 0 dist 7.93331 9.29601 6.21271 6.14414 8.41245 12.8386 numMergedOcc 0
17 mol 173 unq 1 iso 0 dist 7.93331 9.29601 6.21271 4.72839 6.64779 9.00139 numMergedOcc 0
18 mol 173 unq 2 iso 0 dist 7.93331 10.1797 8.94895 6.14414 8.41245 14.5446 numMergedOcc 0
19 mol 173 unq 3 iso 0 dist 7.93331 10.1797 8.94895 4.72839 6.64779 7.55884 numMergedOcc 0
20 mol 173 unq 4 iso 0 dist 6.98095 9.18996 6.21271 5.27321 8.41245 12.8386 numMergedOcc 0
21 mol 173 unq 5 iso 0 dist 6.98095 9.18996 6.21271 8.07089 6.64779 9.00139 numMergedOcc 0
22 mol 173 unq 6 iso 0 dist 6.98095 12.6799 8.94895 5.27321 8.41245 14.5446 numMergedOcc 0
23 mol 173 unq 7 iso 0 dist 6.98095 12.6799 8.94895 8.07089 6.64779 7.55884 numMergedOcc 0
24 mol 173 unq 8 iso 0 dist 8.31897 6.25855 6.21271 10.8609 8.41245 12.8386 numMergedOcc 0
25 mol 173 unq 9 iso 0 dist 8.31897 6.25855 6.21271 5.70743 6.64779 9.00139 numMergedOcc 0
26 mol 173 unq 10 iso 0 dist 8.31897 6.06124 8.94895 10.8609 8.41245 14.5446 numMergedOcc 0
27 mol 173 unq 11 iso 0 dist 8.31897 6.06124 8.94895 5.70743 6.64779 7.55884 numMergedOcc 0
28 mol 227 unq 0 iso 0 dist 8.17891 13.798 6.38497 10.9607 7.57454 7.3021 numMergedOcc 0
29 mol 227 unq 1 iso 0 dist 6.95902 10.9445 6.38497 9.72615 7.57454 7.3021 numMergedOcc 0
30 mol 232 unq 0 iso 0 dist 7.07392 6.85437 7.65744 6.2188 7.10413 5.68892 numMergedOcc 0
31 mol 232 unq 1 iso 0 dist 9.62952 4.28603 7.65744 6.09015 7.10413 5.68892 numMergedOcc 0
32 mol 235 unq 0 iso 0 dist 5.65339 10.8002 7.65432 7.77516 6.54825 3.81221 numMergedOcc 0
33 mol 257 unq 0 iso 0 dist 7.27505 8.55247 9.15639 6.74593 8.60481 3.76517 numMergedOcc 0
34 mol 264 unq 0 iso 0 dist 9.0012 14.5632 7.26094 7.52936 5.91213 10.7977 numMergedOcc 0
