0 mol 11 unq 0 iso 0 dist 5.59847 7.4835 6.50001 10.4181 6.859 4.46394 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.48944 10.7171 6.36381 12.5434 4.44526 6.53276 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.48944 10.7171 6.36381 11.8259 9.586 6.81998 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 9.23015 4.93826 5.77745 6.84017 5.20109 4.32173 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 8.3224 6.21952 5.14358 10.8609 5.22979 6.06435 numMergedOcc 0
5 mol 41 unq 0 iso 0 dist 4.29713 7.70428 4.47883 7.50942 6.21128 9.73623 numMergedOcc 0
6 mol 41 unq 1 iso 0 dist 4.29713 7.70428 4.47883 12.6976 9.57024 10.3598 numMergedOcc 0
7 mol 41 unq 2 iso 0 dist 4.29713 10.1969 6.07514 7.50942 6.21128 7.10946 numMergedOcc 0
8 mol 41 unq 3 iso 0 dist 4.29713 10.1969 6.07514 12.6976 9.57024 5.28774 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 5.91019 11.8317 9.762 5.67536 5.7684 7.25285 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 7.10218 6.61758 9.42184 15.0981 8.4701 15.0409 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 5.91797 6.80592 5.33961 6.3915 9.25444 11.2155 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 5.91797 6.80592 5.33961 5.081 8.46823 9.96465 numMergedOcc 0
13 mol 98 unq 2 iso 0 dist 5.91797 13.4907 9.29816 6.3915 9.25444 18.3829 numMergedOcc 0
14 mol 98 unq 3 iso 0 dist 5.91797 13.4907 9.29816 5.081 8.46823 13.7832 numMergedOcc 0
15 mol 98 unq 4 iso 0 dist 5.91797 9.55396 5.08983 6.3915 9.25444 9.51607 numMergedOcc 0
16 mol 98 unq 5 iso 0 dist 5.91797 9.55396 5.08983 5.081 8.46823 12.5752 numMergedOcc 0
17 mol 98 unq 6 iso 0 dist 6.37954 10.4899 8.3505 6.3915 9.84703 11.9783 numMergedOcc 0
18 mol 98 unq 7 iso 0 dist 6.37954 10.4899 8.3505 5.081 4.62494 7.43001 numMergedOcc 0
19 mol 109 unq 0 iso 0 dist 6.62354 6.24804 9.46621 5.26309 7.56755 4.03135 numMergedOcc 0
20 mol 109 unq 1 iso 0 dist 6.62354 9.97562 9.94704 5.26309 7.56755 4.81814 numMergedOcc 0
21 mol 109 unq 2 iso 0 dist 8.00085 14.8896 9.46621 11.4333 7.56755 4.03135 numMergedOcc 0
22 mol 109 unq 3 iso 0 dist 8.00085 13.5611 9.94704 11.4333 7.56755 4.81814 numMergedOcc 0
23 mol 169 unq 0 iso 0 dist 9.70796 5.11121 8.54444 4.67112 6.05009 6.9276 numMergedOcc 0
24 mol 184 unq 0 iso 0 dist 8.09403 3.76321 8.27396 11.5379 7.58375 12.4352 numMergedOcc 0
25 mol 188 unq 0 iso 0 dist 8.01604 4.37168 7.6482 5.58576 8.66624 5.15888 numMergedOcc 0
26 mol 188 unq 1 iso 0 dist 7.03264 5.23978 7.6482 9.66868 8.66624 5.15888 numMergedOcc 0
27 mol 193 unq 0 iso 0 dist 5.06367 4.30951 7.85801 6.94323 8.15661 9.87367 numMergedOcc 0
28 mol 274 unq 0 iso 0 dist 9.61255 10.0125 7.15079 4.69368 7.77765 9.95931 numMergedOcc 0
29 mol 274 unq 1 iso 0 dist 7.64703 6.59723 4.97796 4.69368 9.65868 6.70266 numMergedOcc 0
30 mol 274 unq 2 iso 0 dist 7.64703 6.59723 4.97796 11.5711 8.60027 5.15747 numMergedOcc 0
31 mol 279 unq 0 iso 0 dist 9.88198 13.9436 7.59142 14.8531 7.17958 4.01471 numMergedOcc 0
32 mol 292 unq 0 iso 0 dist 7.48212 4.56764 5.72473 5.17069 8.62162 6.08322 numMergedOcc 0
