0 mol 20 unq 0 iso 0 dist 9.47968 7.6974 12.4511 12.5088 8.25405 17.3507 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.69215 7.36836 6.88997 9.96454 9.58596 13.6484 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 5.74389 8.5213 8.12741 4.62009 8.05514 11.329 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 5.69384 7.06029 5.47798 6.35003 8.04168 4.78333 numMergedOcc 0
4 mol 79 unq 1 iso 0 dist 5.69384 7.06029 5.47798 3.45432 5.70907 9.18411 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 8.42713 5.10693 12.5638 3.91263 7.8435 6.67678 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 8.42713 5.10693 12.5638 5.59024 5.99269 10.4903 numMergedOcc 0
7 mol 93 unq 2 iso 0 dist 8.42713 5.10693 12.5638 12.9872 5.71763 17.0013 numMergedOcc 0
8 mol 93 unq 3 iso 0 dist 8.42713 6.58814 12.4215 3.91263 7.8435 7.24956 numMergedOcc 0
9 mol 93 unq 4 iso 0 dist 8.42713 6.58814 12.4215 5.59024 5.99269 11.5899 numMergedOcc 0
10 mol 93 unq 5 iso 0 dist 8.42713 6.58814 12.4215 12.9872 5.71763 16.7505 numMergedOcc 0
11 mol 93 unq 6 iso 0 dist 8.42713 6.13459 5.99863 3.91263 7.8435 8.28591 numMergedOcc 0
12 mol 93 unq 7 iso 0 dist 8.42713 6.13459 5.99863 5.59024 5.99269 5.35008 numMergedOcc 0
13 mol 93 unq 8 iso 0 dist 8.42713 6.13459 5.99863 12.9872 5.71763 8.30921 numMergedOcc 0
14 mol 93 unq 9 iso 0 dist 8.42713 7.54391 6.15015 3.91263 7.8435 9.40687 numMergedOcc 0
15 mol 93 unq 10 iso 0 dist 8.42713 7.54391 6.15015 5.59024 5.99269 8.84576 numMergedOcc 0
16 mol 93 unq 11 iso 0 dist 8.42713 7.54391 6.15015 12.9872 5.71763 7.39732 numMergedOcc 0
17 mol 128 unq 0 iso 0 dist 6.17362 5.38983 4.21194 6.84628 9.12084 10.88 numMergedOcc 0
18 mol 128 unq 1 iso 0 dist 6.4416 8.46801 4.21194 8.84157 9.12084 10.88 numMergedOcc 0
19 mol 154 unq 0 iso 0 dist 9.2042 6.12278 14.9051 5.18463 9.82982 9.92057 numMergedOcc 0
20 mol 194 unq 0 iso 0 dist 7.47107 8.76748 14.7863 12.1522 5.53324 19.1389 numMergedOcc 0
21 mol 194 unq 1 iso 0 dist 7.47107 8.76748 14.7863 5.18485 6.72182 11.7587 numMergedOcc 0
22 mol 270 unq 0 iso 0 dist 8.05859 7.97614 12.1343 12.8011 7.39185 18.9947 numMergedOcc 0
23 mol 270 unq 1 iso 0 dist 8.05859 7.97614 12.1343 12.2628 8.20158 17.887 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 5.63154 5.96259 7.93548 3.77031 5.8304 4.98693 numMergedOcc 0
25 mol 279 unq 1 iso 0 dist 5.63154 5.96259 7.93548 9.11782 7.37478 14.0284 numMergedOcc 0
