0 mol 13 unq 0 iso 0 dist 8.37063 5.04036 6.00386 11.1067 13.2798 8.00865 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 8.37063 5.04036 6.00386 13.4623 11.6517 9.11447 numMergedOcc 0
2 mol 13 unq 2 iso 0 dist 6.80844 5.04036 9.78622 11.1067 14.2825 8.00865 numMergedOcc 0
3 mol 13 unq 3 iso 0 dist 6.80844 5.04036 9.78622 13.4623 18.8604 9.11447 numMergedOcc 0
4 mol 44 unq 0 iso 0 dist 6.14602 7.03812 10.3047 9.60832 15.4599 9.17518 numMergedOcc 0
5 mol 44 unq 1 iso 0 dist 6.14602 7.03812 10.3047 5.27237 11.2157 8.21833 numMergedOcc 0
6 mol 44 unq 2 iso 0 dist 7.41011 7.03812 5.75226 9.60832 11.9878 9.17518 numMergedOcc 0
7 mol 44 unq 3 iso 0 dist 7.41011 7.03812 5.75226 5.27237 11.27 8.21833 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 8.55124 8.42713 12.0188 12.5605 18.5076 7.85041 numMergedOcc 0
9 mol 128 unq 0 iso 0 dist 7.84837 9.85832 8.65495 10.7037 13.9798 9.89462 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 4.69926 7.62584 7.14836 4.9574 6.16039 6.42785 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 9.80939 6.4752 8.47507 4.10092 11.5936 5.1101 numMergedOcc 0
12 mol 147 unq 1 iso 0 dist 9.80939 6.4752 8.47507 4.47436 10.8254 7.01133 numMergedOcc 0
13 mol 151 unq 0 iso 0 dist 9.39452 7.06678 7.04946 5.32583 7.48309 5.63814 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 7.04782 9.91705 14.0208 6.24616 12.139 5.49808 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 7.04782 9.91705 14.0208 12.5567 18.3619 7.96291 numMergedOcc 0
16 mol 194 unq 0 iso 0 dist 9.08655 7.47107 14.3589 11.5684 18.6055 9.77862 numMergedOcc 0
17 mol 250 unq 0 iso 0 dist 8.63767 9.21681 10.9696 10.9117 11.2788 8.70484 numMergedOcc 0
18 mol 250 unq 1 iso 0 dist 8.66164 9.21681 6.87023 10.9117 14.5429 8.70484 numMergedOcc 0
19 mol 264 unq 0 iso 0 dist 6.43775 8.28871 10.1582 9.63193 15.4223 9.42738 numMergedOcc 0
20 mol 272 unq 0 iso 0 dist 6.38555 8.62966 5.36863 6.83359 6.87981 6.45328 numMergedOcc 0
21 mol 286 unq 0 iso 0 dist 9.02971 7.3415 7.34486 8.56408 13.6338 8.72146 numMergedOcc 0
