0 mol 20 unq 0 iso 0 dist 7.77627 12.586 6.86736 16.0555 9.0017 5.51967 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 7.77627 9.82353 8.17383 16.0555 9.0017 9.92805 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 7.53599 15.3889 8.67928 9.00405 9.74724 17.0937 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 7.53599 15.3889 8.67928 7.86889 9.13347 15.9137 numMergedOcc 0
4 mol 20 unq 4 iso 0 dist 6.12382 10.3161 6.86736 12.1601 9.0017 5.51967 numMergedOcc 0
5 mol 20 unq 5 iso 0 dist 6.12382 5.82005 8.17383 12.1601 9.0017 9.92805 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 9.72804 9.39301 6.32568 10.9689 6.89022 10.1455 numMergedOcc 0
7 mol 68 unq 0 iso 0 dist 7.94809 8.51311 9.59959 10.2302 8.32093 3.56619 numMergedOcc 0
8 mol 68 unq 1 iso 0 dist 7.94809 6.18534 9.33762 10.2302 8.32093 6.23171 numMergedOcc 0
9 mol 91 unq 0 iso 0 dist 9.06878 14.4013 7.77766 13.2915 5.16779 3.57191 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 9.96357 7.37795 9.66687 7.75948 9.8911 4.60864 numMergedOcc 0
11 mol 197 unq 0 iso 0 dist 6.18166 12.0358 8.43104 5.15513 9.10527 16.1513 numMergedOcc 0
12 mol 197 unq 1 iso 0 dist 6.18166 7.10431 9.13452 5.15513 9.10527 11.1658 numMergedOcc 0
13 mol 252 unq 0 iso 0 dist 6.38041 5.46761 7.89384 11.2711 9.84342 12.0443 numMergedOcc 0
14 mol 252 unq 1 iso 0 dist 6.38041 5.46761 7.89384 5.45887 8.63893 3.99887 numMergedOcc 0
15 mol 254 unq 0 iso 0 dist 8.10339 6.44245 9.43169 6.11814 7.09397 9.30662 numMergedOcc 0
16 mol 254 unq 1 iso 0 dist 8.10339 6.44245 9.43169 7.43463 6.56151 4.4384 numMergedOcc 0
17 mol 254 unq 2 iso 0 dist 8.10339 6.44245 9.43169 9.17605 8.3417 6.09569 numMergedOcc 0
18 mol 254 unq 3 iso 0 dist 8.81893 10.9422 9.43169 9.26315 7.09397 9.30662 numMergedOcc 0
19 mol 254 unq 4 iso 0 dist 8.81893 10.9422 9.43169 11.49 6.56151 4.4384 numMergedOcc 0
20 mol 254 unq 5 iso 0 dist 8.81893 10.9422 9.43169 13.615 8.3417 6.09569 numMergedOcc 0
21 mol 254 unq 6 iso 0 dist 8.59635 6.44245 5.9438 7.43463 6.58752 4.4384 numMergedOcc 0
22 mol 261 unq 0 iso 0 dist 9.00616 10.255 9.53126 13.7748 7.8647 6.46193 numMergedOcc 0
23 mol 266 unq 0 iso 0 dist 5.15737 13.9087 9.60449 12.6856 8.53393 4.60397 numMergedOcc 0
24 mol 266 unq 1 iso 0 dist 5.15737 13.9087 9.60449 12.0551 7.24165 5.26919 numMergedOcc 0
25 mol 292 unq 0 iso 0 dist 7.12198 4.84212 8.22213 6.75244 9.66129 9.68489 numMergedOcc 0
26 mol 292 unq 1 iso 0 dist 5.61843 11.5114 8.22213 8.70062 9.66129 9.68489 numMergedOcc 0
