0 mol 12 unq 0 iso 0 dist 5.25583 4.12573 6.6691 7.86307 7.03296 4.76018 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 5.25583 5.83262 9.23807 7.86307 7.03296 7.13046 numMergedOcc 0
2 mol 12 unq 2 iso 0 dist 5.25583 10.5333 9.52857 17.1545 14.8356 6.96422 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.34763 4.93307 5.99176 13.3224 5.98761 9.62401 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 5.66008 4.93307 6.98583 13.3224 10.5886 9.62401 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 6.00684 11.9735 9.76351 18.9341 14.7309 9.63599 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 6.00684 11.9735 9.76351 13.1885 11.7335 8.01743 numMergedOcc 0
7 mol 128 unq 0 iso 0 dist 8.81493 5.41268 9.05678 5.89919 5.53962 7.75012 numMergedOcc 0
8 mol 128 unq 1 iso 0 dist 8.81493 6.06511 8.73383 5.89919 5.53962 6.98158 numMergedOcc 0
9 mol 128 unq 2 iso 0 dist 6.49794 6.78058 9.05678 8.04178 5.53962 7.75012 numMergedOcc 0
10 mol 128 unq 3 iso 0 dist 6.49794 7.34304 8.73383 8.04178 5.53962 6.98158 numMergedOcc 0
11 mol 130 unq 0 iso 0 dist 7.78572 11.3235 7.7461 11.5056 8.88349 6.90634 numMergedOcc 0
12 mol 146 unq 0 iso 0 dist 7.94257 4.43511 6.47434 9.39237 5.03111 6.50043 numMergedOcc 0
13 mol 174 unq 0 iso 0 dist 8.36618 7.20832 7.54918 8.79469 5.2323 7.47932 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 7.90753 10.5065 9.2933 16.0943 14.0045 5.97685 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 7.90753 10.5065 9.2933 17.06 17.8726 8.9289 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 6.70738 8.9959 8.99609 5.75996 4.47004 8.08764 numMergedOcc 0
17 mol 239 unq 1 iso 0 dist 6.70738 8.9959 8.99609 12.5637 7.14566 9.01462 numMergedOcc 0
18 mol 239 unq 2 iso 0 dist 8.55314 12.8119 8.99609 7.44932 4.47004 8.08764 numMergedOcc 0
19 mol 239 unq 3 iso 0 dist 8.55314 12.8119 8.99609 14.9369 7.14566 9.01462 numMergedOcc 0
20 mol 243 unq 0 iso 0 dist 8.60091 4.35114 9.18477 11.3633 12.2233 7.12785 numMergedOcc 0
21 mol 243 unq 1 iso 0 dist 8.60091 4.35114 9.18477 8.08534 4.54892 6.66959 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 7.27283 6.33919 7.53905 9.28273 8.46837 9.71152 numMergedOcc 0
23 mol 266 unq 1 iso 0 dist 8.35447 10.4141 7.53905 10.0341 8.46837 9.71152 numMergedOcc 0
24 mol 292 unq 0 iso 0 dist 8.17727 6.25614 9.5144 9.97399 13.074 5.7131 numMergedOcc 0
