0 mol 12 unq 0 iso 0 dist 4.85969 4.46781 7.8865 9.3276 9.79847 8.10227 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.90242 15.5437 6.89136 13.1932 9.37435 7.12408 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.07029 10.1933 6.88695 4.18634 9.63803 8.25132 numMergedOcc 0
3 mol 95 unq 0 iso 0 dist 6.82522 7.94986 8.69069 13.3438 9.70292 7.26851 numMergedOcc 0
4 mol 95 unq 1 iso 0 dist 6.82522 7.94986 8.69069 11.578 9.59704 9.13016 numMergedOcc 0
5 mol 95 unq 2 iso 0 dist 6.82522 14.1188 9.65047 13.3438 9.70292 14.2178 numMergedOcc 0
6 mol 95 unq 3 iso 0 dist 6.82522 14.1188 9.65047 11.578 9.59704 8.78079 numMergedOcc 0
7 mol 95 unq 4 iso 0 dist 9.89353 10.538 8.69069 5.89506 9.70292 7.26851 numMergedOcc 0
8 mol 95 unq 5 iso 0 dist 9.89353 10.538 8.69069 6.40728 9.59704 9.13016 numMergedOcc 0
9 mol 95 unq 6 iso 0 dist 9.89353 9.70895 9.65047 5.89506 9.70292 14.2178 numMergedOcc 0
10 mol 95 unq 7 iso 0 dist 9.89353 9.70895 9.65047 6.40728 9.59704 8.78079 numMergedOcc 0
11 mol 103 unq 0 iso 0 dist 4.9418 5.88774 4.99966 6.18487 4.49975 4.65519 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 7.65299 5.26269 6.48328 11.399 8.42219 8.14031 numMergedOcc 0
13 mol 128 unq 0 iso 0 dist 7.4738 8.7733 8.01677 6.24319 9.45412 10.0888 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 8.49649 11.9678 9.60369 7.97297 8.78303 4.46337 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 8.49649 13.0109 9.55556 7.97297 8.78303 7.41373 numMergedOcc 0
16 mol 154 unq 0 iso 0 dist 5.67586 4.97206 7.26897 4.78116 5.06116 5.68978 numMergedOcc 0
17 mol 171 unq 0 iso 0 dist 9.53702 6.71379 6.07091 11.4368 6.51523 7.5383 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 6.22466 8.63909 8.96988 13.2447 9.18289 13.0315 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 6.22466 8.63909 8.96988 6.21482 6.52441 10.6555 numMergedOcc 0
20 mol 186 unq 2 iso 0 dist 6.22466 8.63909 8.96988 4.68208 6.26168 5.75483 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 9.69335 14.0644 9.07872 6.66855 7.90991 13.2135 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 5.36841 14.4432 9.07872 8.82656 7.90991 13.2135 numMergedOcc 0
23 mol 292 unq 0 iso 0 dist 8.99187 7.70638 9.64124 10.5437 5.72473 6.80049 numMergedOcc 0
24 mol 292 unq 1 iso 0 dist 8.99187 5.67679 9.30668 10.5437 5.72473 7.8414 numMergedOcc 0
