0 mol 24 unq 0 iso 0 dist 5.42968 6.2838 7.85986 4.30555 8.25818 9.63925 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.66932 13.3807 8.0991 9.39237 6.38866 6.35031 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 9.66932 14.8083 8.80175 9.39237 6.38866 5.50427 numMergedOcc 0
3 mol 34 unq 2 iso 0 dist 9.66932 10.8487 8.61637 9.39237 6.38866 3.54863 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 5.58102 9.96768 9.90672 4.77009 6.5816 9.43399 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 5.58102 5.91879 7.55367 4.77009 6.5816 3.61204 numMergedOcc 0
6 mol 101 unq 0 iso 0 dist 9.05284 7.30581 9.44645 7.47175 8.19144 13.0976 numMergedOcc 0
7 mol 111 unq 0 iso 0 dist 9.83758 16.4374 9.72371 11.2375 4.91212 8.83426 numMergedOcc 0
8 mol 111 unq 1 iso 0 dist 9.83758 16.4374 9.72371 6.87591 9.34782 16.815 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 6.61697 4.68082 7.40338 5.70681 5.31126 6.29259 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 6.61697 4.68082 7.40338 5.08157 7.16619 7.08122 numMergedOcc 0
11 mol 113 unq 2 iso 0 dist 6.61697 5.60987 6.23759 5.70681 5.31126 8.17309 numMergedOcc 0
12 mol 113 unq 3 iso 0 dist 6.61697 5.60987 6.23759 5.08157 7.16619 9.30967 numMergedOcc 0
13 mol 128 unq 0 iso 0 dist 9.38 10.172 7.4442 9.10228 6.08651 6.30769 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 5.96324 10.7523 9.62774 6.34139 5.60448 5.16197 numMergedOcc 0
15 mol 169 unq 0 iso 0 dist 6.85177 4.67112 7.85698 5.73931 5.10589 6.28646 numMergedOcc 0
16 mol 169 unq 1 iso 0 dist 6.85177 5.50901 6.35799 5.73931 5.10589 7.83748 numMergedOcc 0
17 mol 193 unq 0 iso 0 dist 8.29723 6.94323 9.9042 14.1573 8.30069 11.1328 numMergedOcc 0
18 mol 193 unq 1 iso 0 dist 8.29723 6.94323 9.9042 13.7342 8.83551 11.6691 numMergedOcc 0
19 mol 193 unq 2 iso 0 dist 8.29723 5.18358 6.21262 14.1573 8.30069 11.4882 numMergedOcc 0
20 mol 193 unq 3 iso 0 dist 8.29723 5.18358 6.21262 13.7342 8.83551 9.7301 numMergedOcc 0
21 mol 206 unq 0 iso 0 dist 8.42431 6.43152 5.17607 11.9686 6.80296 5.6074 numMergedOcc 0
22 mol 254 unq 0 iso 0 dist 8.80049 5.83733 9.31434 13.8734 7.85841 11.0708 numMergedOcc 0
23 mol 254 unq 1 iso 0 dist 8.80049 5.83733 9.31434 15.5851 9.20109 13.4911 numMergedOcc 0
24 mol 254 unq 2 iso 0 dist 7.57834 6.44245 9.50951 12.6878 9.20109 11.9238 numMergedOcc 0
25 mol 254 unq 3 iso 0 dist 5.75348 10.9422 9.50951 12.399 9.20109 11.9238 numMergedOcc 0
26 mol 260 unq 0 iso 0 dist 8.90109 8.565 6.12343 8.71923 7.04263 3.60349 numMergedOcc 0
27 mol 281 unq 0 iso 0 dist 7.5689 13.0621 6.8089 6.06807 5.33372 10.3992 numMergedOcc 0
28 mol 281 unq 1 iso 0 dist 7.5689 13.0621 6.8089 9.10512 6.56886 11.7772 numMergedOcc 0
29 mol 292 unq 0 iso 0 dist 5.80835 4.84212 5.91617 9.50643 8.07775 5.06937 numMergedOcc 0
