0 mol 11 unq 0 iso 0 dist 9.42607 6.20956 6.79033 13.2938 9.07476 9.94905 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 6.20956 9.42607 6.79033 4.4067 6.09937 11.7765 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 6.45965 9.4649 13.0377 6.54236 8.02671 13.8582 numMergedOcc 0
3 mol 18 unq 1 iso 0 dist 6.45965 9.4649 13.0377 4.86477 6.09533 11.3419 numMergedOcc 0
4 mol 20 unq 0 iso 0 dist 8.67226 9.62492 8.13992 9.00405 7.17695 10.1439 numMergedOcc 0
5 mol 20 unq 1 iso 0 dist 8.67226 9.62492 8.13992 7.86889 9.33207 11.7373 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 9.90242 9.07029 4.02057 15.9311 8.97566 12.5265 numMergedOcc 0
7 mol 26 unq 1 iso 0 dist 9.90242 9.07029 4.02057 8.4126 8.81085 11.1296 numMergedOcc 0
8 mol 26 unq 2 iso 0 dist 9.07029 9.90242 4.02057 7.18898 7.89667 10.9297 numMergedOcc 0
9 mol 46 unq 0 iso 0 dist 9.30547 6.46901 6.97513 13.8332 8.79378 14.6118 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 6.17173 9.22411 9.44223 4.77009 8.73928 12.8973 numMergedOcc 0
11 mol 123 unq 0 iso 0 dist 6.9952 9.30054 9.9673 4.13168 8.40319 11.6572 numMergedOcc 0
12 mol 128 unq 0 iso 0 dist 7.4738 5.32517 10.0842 9.10228 5.38983 13.5063 numMergedOcc 0
13 mol 128 unq 1 iso 0 dist 7.4738 7.6275 11.283 9.10228 5.38983 14.7328 numMergedOcc 0
14 mol 128 unq 2 iso 0 dist 7.4738 8.88867 9.43368 9.10228 5.38983 8.46801 numMergedOcc 0
15 mol 128 unq 3 iso 0 dist 7.4738 7.04282 7.72018 9.10228 5.38983 9.1479 numMergedOcc 0
16 mol 128 unq 4 iso 0 dist 8.88867 5.32517 11.7069 9.10228 8.46801 13.5063 numMergedOcc 0
17 mol 128 unq 5 iso 0 dist 8.88867 7.6275 11.0489 9.10228 8.46801 14.7328 numMergedOcc 0
18 mol 128 unq 6 iso 0 dist 8.88867 7.4738 9.43368 9.10228 8.46801 5.38983 numMergedOcc 0
19 mol 128 unq 7 iso 0 dist 8.88867 7.04282 3.93975 9.10228 8.46801 9.1479 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 6.74947 8.47476 15.1471 6.34139 6.41183 13.0107 numMergedOcc 0
21 mol 167 unq 0 iso 0 dist 9.08229 7.99057 10.2212 5.60897 6.10021 11.0561 numMergedOcc 0
22 mol 176 unq 0 iso 0 dist 8.85187 7.75061 14.4384 13.3934 9.09554 19.3943 numMergedOcc 0
23 mol 176 unq 1 iso 0 dist 8.85187 9.11609 3.71917 13.3934 9.09554 12.7998 numMergedOcc 0
24 mol 176 unq 2 iso 0 dist 8.85187 9.44083 17.2989 13.3934 9.09554 20.7631 numMergedOcc 0
25 mol 204 unq 0 iso 0 dist 6.32064 5.29176 3.78668 5.38864 8.49554 8.29256 numMergedOcc 0
26 mol 204 unq 1 iso 0 dist 5.29176 6.32064 3.78668 5.38864 8.29256 8.49554 numMergedOcc 0
27 mol 204 unq 2 iso 0 dist 5.29176 6.32064 3.78668 5.13255 7.8274 10.5306 numMergedOcc 0
28 mol 220 unq 0 iso 0 dist 4.17978 9.39546 6.49745 5.32983 8.60252 14.4511 numMergedOcc 0
29 mol 240 unq 0 iso 0 dist 5.76042 9.23116 10.1261 4.139 7.30262 13.3595 numMergedOcc 0
30 mol 260 unq 0 iso 0 dist 7.46 6.71406 5.43735 8.71923 7.88108 12.0301 numMergedOcc 0
31 mol 260 unq 1 iso 0 dist 7.46 6.71406 5.43735 9.96926 9.46576 11.9193 numMergedOcc 0
32 mol 277 unq 0 iso 0 dist 6.01542 6.58667 10.4877 7.69413 8.24013 13.6316 numMergedOcc 0
