0 mol 43 unq 0 iso 0 dist 9.16827 12.092 6.20293 14.9909 8.13395 8.80331 10.4149 6.75943 5.41726 6.6263 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 8.52969 4.98107 9.55426 7.15486 10.6169 9.4099 7.43516 15.6595 8.55984 9.08221 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 8.22406 5.41023 9.64443 13.6801 13.1316 9.33898 8.67704 12.4681 4.3481 7.06939 numMergedOcc 0
3 mol 95 unq 0 iso 0 dist 6.05043 6.40193 7.27724 10.3984 8.41707 8.03644 18.6455 15.6447 15.6249 8.27883 numMergedOcc 0
4 mol 95 unq 1 iso 0 dist 6.05043 6.40193 7.27724 10.3984 8.41707 8.03644 15.0235 14.0772 12.4896 5.75428 numMergedOcc 0
5 mol 95 unq 2 iso 0 dist 6.05043 6.40193 7.27724 10.3984 8.41707 8.03644 13.6569 14.1515 14.2178 8.57395 numMergedOcc 0
6 mol 95 unq 3 iso 0 dist 6.05043 6.40193 7.27724 10.3984 8.41707 8.03644 6.01813 10.3132 8.78079 9.85409 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 5.09688 12.2879 7.47343 13.6601 8.8807 6.65086 13.4904 9.76432 6.23008 8.91882 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 9.26343 16.4386 7.47343 16.1978 8.8807 6.65086 16.3664 9.76432 6.23008 8.91882 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 9.41387 9.3855 7.90328 13.8525 7.22206 7.83136 10.8838 10.4223 3.55765 8.19331 numMergedOcc 0
10 mol 117 unq 1 iso 0 dist 9.41387 9.3855 7.90328 15.4634 9.3584 7.0603 10.8838 10.4223 3.55765 8.85711 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 9.69757 6.82985 7.12972 6.38977 5.55373 8.40312 4.67452 10.0551 3.98662 9.27976 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 6.99089 12.6542 6.49416 15.1189 8.80819 8.94367 18.9729 11.988 8.06642 7.21868 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 6.99089 12.6542 6.49416 11.6481 5.00817 6.37586 13.9686 9.55584 6.95573 9.33924 numMergedOcc 0
14 mol 134 unq 2 iso 0 dist 6.99089 12.6542 6.49416 11.6481 5.00817 6.37586 18.9729 11.988 8.06642 7.93372 numMergedOcc 0
15 mol 227 unq 0 iso 0 dist 9.93154 6.78651 9.34734 10.7118 6.99063 7.22101 10.8814 10.7855 5.0317 5.23634 numMergedOcc 0
16 mol 227 unq 1 iso 0 dist 9.93154 6.78651 9.34734 13.6059 7.60506 8.65997 10.8814 10.7855 5.0317 6.91318 numMergedOcc 0
17 mol 227 unq 2 iso 0 dist 9.18218 6.78651 7.56888 10.7118 10.8658 7.22101 10.8814 11.2661 5.0317 5.23634 numMergedOcc 0
18 mol 227 unq 3 iso 0 dist 9.18218 6.78651 7.56888 13.6059 9.70012 8.65997 10.8814 11.2661 5.0317 6.91318 numMergedOcc 0
19 mol 227 unq 4 iso 0 dist 6.18486 6.78651 7.55216 10.7118 12.4689 7.22101 10.8814 12.3663 5.0317 5.23634 numMergedOcc 0
20 mol 227 unq 5 iso 0 dist 6.18486 6.78651 7.55216 13.6059 12.9332 8.65997 10.8814 12.3663 5.0317 6.91318 numMergedOcc 0
21 mol 248 unq 0 iso 0 dist 8.34646 6.21372 8.2965 12.8567 10.8081 7.69895 9.94873 11.4547 4.58289 9.05018 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 6.49599 13.8605 7.88519 9.47382 6.96053 7.46176 11.8307 10.3406 10.067 5.85442 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 6.49599 13.8605 7.88519 9.47382 6.96053 7.46176 9.41512 9.46361 11.6988 6.95511 numMergedOcc 0
24 mol 259 unq 2 iso 0 dist 9.34738 13.8605 7.84554 6.49599 4.86771 7.88519 9.41512 12.8903 11.6988 9.46361 numMergedOcc 0
25 mol 259 unq 3 iso 0 dist 9.34738 13.8605 7.84554 9.47382 7.64658 7.46176 11.8307 12.8546 10.067 5.85442 numMergedOcc 0
26 mol 259 unq 4 iso 0 dist 9.34738 13.8605 7.84554 9.47382 7.64658 7.46176 9.41512 12.8903 11.6988 6.95511 numMergedOcc 0
27 mol 259 unq 5 iso 0 dist 9.47382 13.8605 7.46176 6.49599 6.96053 7.88519 9.41512 6.95511 11.6988 9.46361 numMergedOcc 0
