0 mol 9 unq 0 iso 0 dist 8.77074 6.21955 7.38646 11.1857 8.55446 5.09857 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.77074 6.21955 7.38646 9.93406 6.59455 5.86578 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 8.77074 6.21955 7.38646 13.0985 5.71201 10.699 numMergedOcc 0
3 mol 10 unq 0 iso 0 dist 5.06897 11.2691 9.64891 9.0507 9.38807 14.5484 numMergedOcc 0
4 mol 10 unq 1 iso 0 dist 5.06897 11.2691 9.64891 7.06047 9.17211 10.4755 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 9.46609 5.36736 9.97991 4.29919 9.5053 6.81961 numMergedOcc 0
6 mol 30 unq 0 iso 0 dist 5.64067 12.9268 7.96082 7.27795 6.55815 11.9275 numMergedOcc 0
7 mol 30 unq 1 iso 0 dist 5.64067 12.9268 7.96082 7.22038 7.09121 9.79457 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 9.15304 8.12928 9.09727 13.7632 8.86698 7.87342 numMergedOcc 0
9 mol 52 unq 0 iso 0 dist 9.46302 15.4221 8.76527 5.51146 9.80143 15.5426 numMergedOcc 0
10 mol 68 unq 0 iso 0 dist 5.74389 10.8348 9.48391 6.32283 6.40693 4.92112 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 6.53468 14.5223 8.0534 4.79924 7.62738 14.9324 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 5.90954 11.7502 8.0534 9.80492 7.62738 14.9324 numMergedOcc 0
13 mol 76 unq 0 iso 0 dist 9.28282 7.21958 9.42735 5.26304 6.66954 7.88113 numMergedOcc 0
14 mol 93 unq 0 iso 0 dist 8.42713 12.7083 5.89661 15.595 7.62611 8.64726 numMergedOcc 0
15 mol 93 unq 1 iso 0 dist 8.21032 7.44572 5.89661 4.38413 7.62611 8.64726 numMergedOcc 0
16 mol 130 unq 0 iso 0 dist 6.62468 5.76927 7.67321 12.1443 9.13191 15.6039 numMergedOcc 0
17 mol 130 unq 1 iso 0 dist 6.62468 5.76927 7.67321 11.0466 6.95405 8.90781 numMergedOcc 0
18 mol 147 unq 0 iso 0 dist 6.4752 14.5183 9.95533 10.7246 7.25644 14.6343 numMergedOcc 0
19 mol 147 unq 1 iso 0 dist 6.4752 13.8716 7.94147 10.7246 7.25644 5.93581 numMergedOcc 0
20 mol 163 unq 0 iso 0 dist 9.3832 17.4608 8.67619 4.04072 9.79069 17.985 numMergedOcc 0
21 mol 163 unq 1 iso 0 dist 9.3832 17.4608 8.67619 16.9342 9.27496 8.49413 numMergedOcc 0
22 mol 163 unq 2 iso 0 dist 6.0247 7.1643 8.67619 12.5525 9.79069 17.985 numMergedOcc 0
23 mol 163 unq 3 iso 0 dist 6.0247 7.1643 8.67619 4.37572 9.27496 8.49413 numMergedOcc 0
24 mol 163 unq 4 iso 0 dist 6.40873 11.2768 8.67619 8.81556 9.79069 17.985 numMergedOcc 0
25 mol 163 unq 5 iso 0 dist 6.40873 11.2768 8.67619 7.05786 9.27496 8.49413 numMergedOcc 0
26 mol 220 unq 0 iso 0 dist 7.53138 10.028 9.61475 5.90077 9.72138 5.5411 numMergedOcc 0
27 mol 220 unq 1 iso 0 dist 7.53138 6.35487 9.68034 5.90077 9.72138 4.86867 numMergedOcc 0
28 mol 220 unq 2 iso 0 dist 7.53138 4.44048 8.1579 5.90077 9.72138 8.80812 numMergedOcc 0
29 mol 272 unq 0 iso 0 dist 8.36282 5.51121 4.80092 10.2848 9.18635 10.8122 numMergedOcc 0
30 mol 279 unq 0 iso 0 dist 5.63154 8.29352 7.84195 11.7377 9.30921 13.3542 numMergedOcc 0
31 mol 279 unq 1 iso 0 dist 5.63154 6.34006 9.2174 11.7377 9.30921 12.0995 numMergedOcc 0
