0 mol 21 unq 0 iso 0 dist 6.97295 9.29842 9.3814 4.81505 8.07914 10.4527 numMergedOcc 0
1 mol 42 unq 0 iso 0 dist 9.83301 9.82536 14.514 5.6382 5.52834 13.1748 numMergedOcc 0
2 mol 42 unq 1 iso 0 dist 9.83301 8.77998 11.4032 5.6382 5.52834 11.3896 numMergedOcc 0
3 mol 63 unq 0 iso 0 dist 6.57773 8.74231 7.43519 4.24825 7.44913 10.5679 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.37476 8.85981 7.52996 4.49648 7.48556 6.4104 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 7.37476 8.85981 7.52996 4.50556 9.47045 12.0834 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 7.37476 8.85981 7.52996 4.53367 8.68218 12.7946 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 7.37476 9.37314 9.80866 4.49648 7.48556 10.1769 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 7.37476 9.37314 9.80866 4.50556 9.47045 9.85884 numMergedOcc 0
9 mol 73 unq 5 iso 0 dist 7.37476 9.37314 9.80866 4.53367 8.68218 13.0808 numMergedOcc 0
10 mol 90 unq 0 iso 0 dist 8.60438 8.14057 9.18603 9.63545 9.06641 15.8361 numMergedOcc 0
11 mol 94 unq 0 iso 0 dist 8.93438 8.13248 6.0901 5.54718 9.25496 10.0945 numMergedOcc 0
12 mol 105 unq 0 iso 0 dist 9.89151 9.52576 7.49434 7.22468 8.51572 13.0412 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 6.17589 6.61066 7.09627 8.7758 9.41083 9.28214 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 6.17589 6.3982 7.10772 8.7758 9.41083 14.3348 numMergedOcc 0
15 mol 116 unq 0 iso 0 dist 7.53333 6.12388 6.29219 5.2815 6.90966 9.64597 numMergedOcc 0
16 mol 129 unq 0 iso 0 dist 9.83241 9.54663 4.80675 12.8233 7.6453 8.00624 numMergedOcc 0
17 mol 143 unq 0 iso 0 dist 7.88346 9.03233 14.8495 5.57673 5.40826 14.505 numMergedOcc 0
18 mol 148 unq 0 iso 0 dist 6.17633 9.64123 5.34721 8.47619 9.18753 13.9381 numMergedOcc 0
19 mol 150 unq 0 iso 0 dist 6.20295 9.72257 5.38822 8.33704 9.15244 13.968 numMergedOcc 0
20 mol 168 unq 0 iso 0 dist 8.66519 7.53748 12.8964 16.2743 8.72323 20.7692 numMergedOcc 0
21 mol 183 unq 0 iso 0 dist 7.23572 9.60878 5.72 12.7308 8.84987 12.4753 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 7.17789 5.47189 12.5982 10.2242 9.2254 14.3228 numMergedOcc 0
23 mol 211 unq 0 iso 0 dist 7.49132 7.66285 8.75747 11.2256 8.10779 16.1606 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 9.64006 6.9028 9.18635 17.9836 9.89039 18.8593 numMergedOcc 0
25 mol 220 unq 1 iso 0 dist 9.64006 6.9028 9.18635 4.47683 8.57174 9.9693 numMergedOcc 0
26 mol 229 unq 0 iso 0 dist 5.95601 9.48923 8.44287 4.47956 7.48693 13.5849 numMergedOcc 0
27 mol 229 unq 1 iso 0 dist 5.95601 9.67544 5.29674 4.47956 7.48693 12.494 numMergedOcc 0
28 mol 233 unq 0 iso 0 dist 9.06221 4.94074 10.2837 4.67806 6.9103 7.41931 numMergedOcc 0
29 mol 236 unq 0 iso 0 dist 7.73969 6.67907 5.52669 11.1044 4.71683 9.44496 numMergedOcc 0
30 mol 236 unq 1 iso 0 dist 7.73969 6.0087 5.27568 11.1044 4.71683 9.13551 numMergedOcc 0
31 mol 258 unq 0 iso 0 dist 9.27225 8.14812 4.6881 11.1283 8.58092 11.1621 numMergedOcc 0
32 mol 266 unq 0 iso 0 dist 8.78501 8.82941 9.7281 8.96584 9.39714 16.0719 numMergedOcc 0
33 mol 271 unq 0 iso 0 dist 7.90629 7.59727 7.30308 6.04262 9.50884 9.42899 numMergedOcc 0
34 mol 277 unq 0 iso 0 dist 9.60879 6.86014 7.44724 4.00063 6.66936 4.81916 numMergedOcc 0
35 mol 277 unq 1 iso 0 dist 6.92271 6.86014 5.77904 4.00063 8.15119 4.81916 numMergedOcc 0
36 mol 277 unq 2 iso 0 dist 8.62666 5.97073 5.77904 9.31316 8.15119 4.81916 numMergedOcc 0
37 mol 281 unq 0 iso 0 dist 5.53313 8.32692 5.81338 4.48742 7.65321 12.2104 numMergedOcc 0
38 mol 294 unq 0 iso 0 dist 8.92737 6.45955 6.99988 9.82894 6.37998 9.97601 numMergedOcc 0
39 mol 294 unq 1 iso 0 dist 8.92737 8.86937 11.8346 9.82894 6.37998 14.0967 numMergedOcc 0
40 mol 294 unq 2 iso 0 dist 7.15278 5.71661 6.99988 6.49126 6.37998 9.97601 numMergedOcc 0
41 mol 294 unq 3 iso 0 dist 7.15278 8.98536 11.8346 6.49126 6.37998 14.0967 numMergedOcc 0
