0 mol 27 unq 0 iso 0 dist 5.66743 11.6846 7.60283 15.7694 13.3658 7.56229 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 5.66743 11.6846 7.60283 9.70026 5.92112 9.94082 numMergedOcc 0
2 mol 27 unq 2 iso 0 dist 7.42669 8.05284 7.60283 9.10646 13.3658 7.56229 numMergedOcc 0
3 mol 27 unq 3 iso 0 dist 7.42669 8.05284 7.60283 9.76721 5.92112 9.94082 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 8.2746 12.1095 6.04903 18.2485 10.029 9.27478 numMergedOcc 0
5 mol 62 unq 1 iso 0 dist 8.2746 12.1095 6.04903 11.4007 9.53337 6.38768 numMergedOcc 0
6 mol 62 unq 2 iso 0 dist 8.2746 12.1095 6.04903 7.9399 6.71999 6.31321 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 9.16592 7.62048 7.09065 16.0597 13.2428 8.72187 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 9.16592 7.62048 7.09065 10.3023 4.50298 6.57181 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 6.66022 5.46352 5.60389 11.8168 5.3899 9.82136 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 5.56565 4.49984 7.41399 11.3681 13.4021 7.26577 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 6.16862 4.49984 8.21165 11.3681 15.0869 7.26577 numMergedOcc 0
12 mol 133 unq 2 iso 0 dist 9.70325 6.16425 8.21165 11.6005 15.0869 7.26577 numMergedOcc 0
13 mol 148 unq 0 iso 0 dist 9.80819 11.6995 9.73927 10.4682 9.44448 8.60089 numMergedOcc 0
14 mol 150 unq 0 iso 0 dist 9.81665 11.8035 9.66129 10.5864 9.57325 8.54995 numMergedOcc 0
15 mol 173 unq 0 iso 0 dist 9.38737 10.5012 8.41245 16.7137 12.8386 6.21271 numMergedOcc 0
16 mol 173 unq 1 iso 0 dist 9.38737 10.5012 8.41245 17.9438 14.5446 8.94895 numMergedOcc 0
17 mol 173 unq 2 iso 0 dist 9.51638 12.905 6.64779 13.8854 9.00139 6.21271 numMergedOcc 0
18 mol 173 unq 3 iso 0 dist 9.51638 12.905 6.64779 8.32347 7.55884 8.94895 numMergedOcc 0
19 mol 232 unq 0 iso 0 dist 9.41148 6.17401 7.10413 12.2066 5.68892 7.65744 numMergedOcc 0
20 mol 257 unq 0 iso 0 dist 9.34004 7.73649 8.60481 10.125 3.76517 9.15639 numMergedOcc 0
21 mol 273 unq 0 iso 0 dist 9.78826 13.7838 8.85779 17.8994 9.23974 8.59684 numMergedOcc 0
