0 mol 32 unq 0 iso 0 dist 8.14455 6.67079 8.69625 6.38271 7.23274 3.28726 numMergedOcc 0
1 mol 32 unq 1 iso 0 dist 5.07365 6.67704 6.44044 6.93709 6.59787 3.28726 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 6.44329 8.71284 7.80178 9.36493 4.62291 7.83556 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 6.44329 8.71284 7.80178 9.0665 5.28477 6.59793 numMergedOcc 0
4 mol 34 unq 2 iso 0 dist 6.44329 8.71284 7.80178 7.07773 10.6246 9.10687 numMergedOcc 0
5 mol 34 unq 3 iso 0 dist 8.94846 8.71284 13.7276 9.36493 12.295 7.83556 numMergedOcc 0
6 mol 34 unq 4 iso 0 dist 8.94846 8.71284 13.7276 9.0665 16.5713 6.59793 numMergedOcc 0
7 mol 34 unq 5 iso 0 dist 8.94846 8.71284 13.7276 7.07773 14.9436 9.10687 numMergedOcc 0
8 mol 44 unq 0 iso 0 dist 8.99723 5.81645 4.47203 9.80946 14.5467 12.6428 numMergedOcc 0
9 mol 44 unq 1 iso 0 dist 8.99723 6.75026 7.11688 9.80946 14.5467 8.28169 numMergedOcc 0
10 mol 54 unq 0 iso 0 dist 4.54428 9.57335 10.068 9.63616 13.0814 17.4558 numMergedOcc 0
11 mol 54 unq 1 iso 0 dist 4.54428 8.60653 10.6382 9.63616 13.0814 14.2852 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 9.97253 4.3247 13.4809 4.5892 10.5865 5.88927 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 7.80347 9.40173 14.6729 5.24616 4.65764 10.256 numMergedOcc 0
14 mol 116 unq 0 iso 0 dist 9.29956 8.89769 5.13229 6.82267 4.58282 7.93893 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 9.12773 5.43662 10.5805 8.44004 7.51072 5.92118 numMergedOcc 0
16 mol 185 unq 0 iso 0 dist 8.21075 8.7695 13.85 7.35584 4.96002 9.87079 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 9.69783 6.62013 10.389 5.8294 5.41527 6.52211 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 9.01934 9.25097 5.67269 7.99963 8.18179 12.3078 numMergedOcc 0
19 mol 241 unq 0 iso 0 dist 9.86427 9.14228 5.71704 9.87415 12.788 16.0653 numMergedOcc 0
