0 mol 11 unq 0 iso 0 dist 9.97185 11.9532 9.36555 6.56346 6.79478 9.67404 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 9.27853 12.7412 8.28883 8.98678 7.54318 5.72813 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 9.19647 9.74788 4.628 10.5573 5.92705 6.32949 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 6.9902 5.8897 9.35633 16.2567 9.59261 16.255 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 6.9902 5.8897 9.35633 9.83687 6.67936 9.75148 numMergedOcc 0
5 mol 98 unq 2 iso 0 dist 6.9902 5.8897 9.35633 12.0258 8.25817 15.2099 numMergedOcc 0
6 mol 98 unq 3 iso 0 dist 8.33541 14.4527 9.35633 15.8807 9.59261 16.255 numMergedOcc 0
7 mol 98 unq 4 iso 0 dist 8.33541 14.4527 9.35633 10.6448 6.67936 9.75148 numMergedOcc 0
8 mol 98 unq 5 iso 0 dist 8.33541 14.4527 9.35633 5.58126 8.25817 15.2099 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 9.15823 5.41923 5.61016 9.52583 7.88564 9.7552 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 9.63401 5.50494 5.61016 11.4398 7.88564 9.7552 numMergedOcc 0
11 mol 104 unq 0 iso 0 dist 8.28631 10.5629 5.90762 5.694 9.22466 7.86595 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 8.41492 8.98907 8.59182 13.2932 8.21889 12.4009 numMergedOcc 0
13 mol 109 unq 1 iso 0 dist 8.41492 8.98907 8.59182 9.64513 9.74643 12.8701 numMergedOcc 0
14 mol 109 unq 2 iso 0 dist 8.41492 8.98907 8.59182 6.4683 6.86702 5.95831 numMergedOcc 0
15 mol 120 unq 0 iso 0 dist 9.79589 8.1011 9.18835 4.35345 8.91606 10.5162 numMergedOcc 0
16 mol 120 unq 1 iso 0 dist 9.66306 4.30031 9.18835 9.19433 8.91606 10.5162 numMergedOcc 0
17 mol 120 unq 2 iso 0 dist 8.84182 9.03773 9.18835 6.08069 8.91606 10.5162 numMergedOcc 0
18 mol 132 unq 0 iso 0 dist 9.0788 4.24969 8.15549 12.7224 7.70349 10.469 numMergedOcc 0
19 mol 152 unq 0 iso 0 dist 8.41938 10.073 6.4737 10.6678 9.74498 7.20811 numMergedOcc 0
20 mol 152 unq 1 iso 0 dist 6.53428 6.30491 5.59682 5.29694 8.89982 6.62991 numMergedOcc 0
21 mol 152 unq 2 iso 0 dist 6.53428 4.48776 7.71277 5.29694 8.89982 7.17016 numMergedOcc 0
22 mol 199 unq 0 iso 0 dist 9.97213 6.23182 9.88917 6.75963 8.68505 11.2655 numMergedOcc 0
23 mol 230 unq 0 iso 0 dist 6.05795 7.03151 6.23346 4.66984 9.54235 9.6645 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 7.19903 11.2878 6.00654 10.7361 9.37996 10.1196 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 8.94629 11.7794 8.57305 6.30874 5.81927 6.51074 numMergedOcc 0
26 mol 258 unq 1 iso 0 dist 8.94629 11.7794 8.57305 6.88723 6.09782 5.57797 numMergedOcc 0
27 mol 264 unq 0 iso 0 dist 5.11475 5.17977 7.61232 9.59126 9.01085 8.57403 numMergedOcc 0
28 mol 264 unq 1 iso 0 dist 5.11475 5.17977 7.61232 6.41758 6.28512 8.70128 numMergedOcc 0
29 mol 285 unq 0 iso 0 dist 9.0062 5.29647 4.74716 5.23192 8.71213 5.93692 numMergedOcc 0
30 mol 285 unq 1 iso 0 dist 8.72607 6.56958 4.74716 9.00041 8.71213 5.93692 numMergedOcc 0
