0 mol 11 unq 0 iso 0 dist 9.07476 9.36527 9.81983 5.23547 9.89425 9.74251 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 7.79911 7.42417 5.9372 10.0857 9.58192 11.6859 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 7.79911 10.5851 6.93597 10.0857 9.58192 11.076 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 6.35779 7.46975 8.21895 5.46563 9.19512 4.09232 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 7.06029 6.04435 6.86517 10.0025 9.04293 3.99035 numMergedOcc 0
5 mol 79 unq 1 iso 0 dist 7.06029 6.04435 6.86517 6.35003 4.78333 4.53016 numMergedOcc 0
6 mol 79 unq 2 iso 0 dist 7.06029 12.3232 8.33791 10.0025 9.04293 6.69352 numMergedOcc 0
7 mol 79 unq 3 iso 0 dist 7.06029 12.3232 8.33791 6.35003 4.78333 6.0749 numMergedOcc 0
8 mol 83 unq 0 iso 0 dist 9.94528 10.4266 8.99451 6.51558 5.35861 10.5584 numMergedOcc 0
9 mol 83 unq 1 iso 0 dist 8.94777 7.34738 8.99451 9.07479 5.35861 10.5584 numMergedOcc 0
10 mol 83 unq 2 iso 0 dist 9.47551 15.2006 8.99451 5.46512 5.35861 10.5584 numMergedOcc 0
11 mol 93 unq 0 iso 0 dist 6.13459 12.9548 7.48947 3.91263 8.28591 14.433 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 6.13459 12.9548 7.48947 5.59024 5.35008 9.54244 numMergedOcc 0
13 mol 93 unq 2 iso 0 dist 6.13459 12.9548 7.48947 12.9872 8.30921 9.86691 numMergedOcc 0
14 mol 101 unq 0 iso 0 dist 6.67863 5.08458 9.44645 13.2642 9.33112 14.6961 numMergedOcc 0
15 mol 113 unq 0 iso 0 dist 9.86767 9.01097 5.35711 7.09333 4.30875 3.84573 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 8.42225 12.2067 6.21165 5.99531 4.55071 10.3622 numMergedOcc 0
17 mol 168 unq 0 iso 0 dist 6.48066 6.62718 6.12453 9.43003 7.0961 12.6805 numMergedOcc 0
18 mol 168 unq 1 iso 0 dist 6.48066 6.62718 6.12453 8.01699 8.21227 4.02702 numMergedOcc 0
19 mol 168 unq 2 iso 0 dist 6.48066 6.62718 6.12453 9.98239 6.53038 7.61798 numMergedOcc 0
20 mol 168 unq 3 iso 0 dist 8.47543 16.5533 9.87447 6.97182 8.26768 12.6805 numMergedOcc 0
21 mol 169 unq 0 iso 0 dist 9.58901 9.12553 5.41121 7.0638 4.11374 3.95773 numMergedOcc 0
22 mol 169 unq 1 iso 0 dist 7.50458 8.92988 7.85698 6.22697 7.65903 7.40692 numMergedOcc 0
23 mol 169 unq 2 iso 0 dist 7.50458 10.711 6.35799 6.22697 7.65903 9.68109 numMergedOcc 0
24 mol 169 unq 3 iso 0 dist 7.78577 15.222 9.84538 8.55252 8.6961 8.86736 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 9.14525 6.24225 9.31569 5.22626 8.92135 10.6999 numMergedOcc 0
26 mol 186 unq 1 iso 0 dist 9.14525 10.7353 8.72743 5.22626 8.92135 6.18065 numMergedOcc 0
27 mol 186 unq 2 iso 0 dist 6.99587 6.33168 7.37629 3.6848 9.17458 8.66149 numMergedOcc 0
28 mol 186 unq 3 iso 0 dist 6.99587 6.33168 7.37629 5.33968 6.94594 3.87169 numMergedOcc 0
29 mol 186 unq 4 iso 0 dist 4.37577 6.33168 5.68985 3.6848 7.36794 8.66149 numMergedOcc 0
30 mol 186 unq 5 iso 0 dist 4.37577 6.33168 5.68985 5.33968 5.81881 3.87169 numMergedOcc 0
31 mol 205 unq 0 iso 0 dist 8.25174 6.34004 7.24614 7.54616 7.4185 6.9508 numMergedOcc 0
32 mol 205 unq 1 iso 0 dist 9.16671 6.88779 7.24614 3.69062 7.4185 6.9508 numMergedOcc 0
33 mol 205 unq 2 iso 0 dist 8.87165 4.8012 5.59832 10.0544 4.97301 5.28417 numMergedOcc 0
34 mol 205 unq 3 iso 0 dist 8.87165 16.5446 9.17562 10.0544 4.97301 7.25932 numMergedOcc 0
35 mol 254 unq 0 iso 0 dist 7.89302 5.58669 9.31434 5.06168 5.6417 3.91259 numMergedOcc 0
36 mol 254 unq 1 iso 0 dist 7.89302 5.58669 9.31434 6.25965 7.42831 5.53173 numMergedOcc 0
37 mol 287 unq 0 iso 0 dist 8.71974 9.60695 9.23152 10.8556 8.06767 7.08709 numMergedOcc 0
38 mol 287 unq 1 iso 0 dist 8.71974 9.60695 9.23152 10.4719 9.91087 16.9083 numMergedOcc 0
39 mol 287 unq 2 iso 0 dist 8.82649 16.0897 9.23152 10.8866 8.06767 7.08709 numMergedOcc 0
40 mol 287 unq 3 iso 0 dist 8.82649 16.0897 9.23152 6.15828 9.91087 16.9083 numMergedOcc 0
41 mol 287 unq 4 iso 0 dist 7.35776 12.1974 9.23152 7.54288 8.06767 7.08709 numMergedOcc 0
42 mol 287 unq 5 iso 0 dist 7.35776 12.1974 9.23152 13.3294 9.91087 16.9083 numMergedOcc 0
43 mol 288 unq 0 iso 0 dist 8.71974 9.60695 9.23152 10.8556 8.06767 7.08709 numMergedOcc 0
44 mol 288 unq 1 iso 0 dist 8.71974 9.60695 9.23152 10.4719 9.91087 16.9083 numMergedOcc 0
45 mol 288 unq 2 iso 0 dist 8.82649 16.0897 9.23152 10.8866 8.06767 7.08709 numMergedOcc 0
46 mol 288 unq 3 iso 0 dist 8.82649 16.0897 9.23152 6.15828 9.91087 16.9083 numMergedOcc 0
47 mol 288 unq 4 iso 0 dist 7.35776 12.1974 9.23152 7.54288 8.06767 7.08709 numMergedOcc 0
48 mol 288 unq 5 iso 0 dist 7.35776 12.1974 9.23152 13.3294 9.91087 16.9083 numMergedOcc 0
49 mol 289 unq 0 iso 0 dist 8.71974 9.60695 9.23152 10.8556 8.06767 7.08709 numMergedOcc 0
50 mol 289 unq 1 iso 0 dist 8.71974 9.60695 9.23152 10.4719 9.91087 16.9083 numMergedOcc 0
51 mol 289 unq 2 iso 0 dist 8.82649 16.0897 9.23152 10.8866 8.06767 7.08709 numMergedOcc 0
52 mol 289 unq 3 iso 0 dist 8.82649 16.0897 9.23152 6.15828 9.91087 16.9083 numMergedOcc 0
53 mol 289 unq 4 iso 0 dist 7.35776 12.1974 9.23152 7.54288 8.06767 7.08709 numMergedOcc 0
54 mol 289 unq 5 iso 0 dist 7.35776 12.1974 9.23152 13.3294 9.91087 16.9083 numMergedOcc 0
