0 mol 25 unq 0 iso 0 dist 7.0928 6.32132 5.04899 11.7801 8.87757 5.77929 numMergedOcc 0
1 mol 52 unq 0 iso 0 dist 7.68916 11.9986 9.80098 9.04053 6.31696 11.6682 numMergedOcc 0
2 mol 52 unq 1 iso 0 dist 7.68916 13.3091 7.34143 9.04053 6.31696 6.66056 numMergedOcc 0
3 mol 52 unq 2 iso 0 dist 7.47417 8.90624 9.80098 11.8458 6.31696 11.6682 numMergedOcc 0
4 mol 52 unq 3 iso 0 dist 7.47417 13.0115 7.34143 11.8458 6.31696 6.66056 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 7.51978 10.6355 9.5589 13.9555 7.21717 15.293 numMergedOcc 0
6 mol 54 unq 1 iso 0 dist 7.51978 6.43082 6.83299 13.9555 7.21717 13.86 numMergedOcc 0
7 mol 54 unq 2 iso 0 dist 7.51978 11.7347 8.10861 13.9555 7.21717 5.99981 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 8.52969 11.6772 6.81627 6.10173 7.21955 7.09066 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 8.52969 9.0406 7.32874 6.10173 7.21955 7.12541 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 8.52969 4.98107 9.55426 6.10173 7.21955 5.74871 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 5.89394 6.80709 7.4729 10.9738 6.95572 9.50382 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 5.89394 6.80709 7.4729 10.3703 7.38677 12.7565 numMergedOcc 0
13 mol 92 unq 2 iso 0 dist 5.89394 6.20561 6.82344 10.9738 6.95572 7.56363 numMergedOcc 0
14 mol 92 unq 3 iso 0 dist 5.89394 6.20561 6.82344 10.3703 7.38677 5.91004 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 5.09688 9.65979 6.45675 6.29383 7.38135 7.11701 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 5.09688 12.2879 7.47343 6.29383 7.38135 11.2312 numMergedOcc 0
17 mol 100 unq 2 iso 0 dist 5.09688 10.2364 8.86688 6.29383 7.38135 7.79768 numMergedOcc 0
18 mol 100 unq 3 iso 0 dist 9.26343 13.666 6.45675 10.728 7.38135 7.11701 numMergedOcc 0
19 mol 100 unq 4 iso 0 dist 9.26343 16.4386 7.47343 10.728 7.38135 11.2312 numMergedOcc 0
20 mol 100 unq 5 iso 0 dist 9.26343 15.5646 8.86688 10.728 7.38135 7.79768 numMergedOcc 0
21 mol 114 unq 0 iso 0 dist 5.87387 6.4595 7.5732 10.6075 6.84011 7.436 numMergedOcc 0
22 mol 119 unq 0 iso 0 dist 8.59784 9.70986 8.73993 8.66162 6.52773 7.20179 numMergedOcc 0
23 mol 119 unq 1 iso 0 dist 8.59784 9.70986 8.73993 6.71925 9.23858 9.89358 numMergedOcc 0
24 mol 122 unq 0 iso 0 dist 5.09114 6.01457 8.37808 9.32745 8.88537 5.0355 numMergedOcc 0
25 mol 122 unq 1 iso 0 dist 5.09114 6.01457 8.37808 10.5529 9.23819 7.39059 numMergedOcc 0
26 mol 125 unq 0 iso 0 dist 8.38646 6.5815 8.62381 6.24872 7.73435 7.43922 numMergedOcc 0
27 mol 125 unq 1 iso 0 dist 8.38646 6.5815 8.62381 10.4668 9.3778 11.0769 numMergedOcc 0
28 mol 129 unq 0 iso 0 dist 8.14071 13.1328 5.83384 9.81728 9.36851 10.7293 numMergedOcc 0
29 mol 129 unq 1 iso 0 dist 8.14071 13.1328 5.83384 6.95825 4.97175 7.29399 numMergedOcc 0
30 mol 134 unq 0 iso 0 dist 6.99089 10.1742 6.54501 10.0674 7.80532 7.41674 numMergedOcc 0
31 mol 134 unq 1 iso 0 dist 6.99089 12.6542 6.49416 10.0674 7.80532 9.87376 numMergedOcc 0
32 mol 143 unq 0 iso 0 dist 8.72463 14.0766 5.99315 16.1752 7.78652 6.48978 numMergedOcc 0
33 mol 143 unq 1 iso 0 dist 8.72463 14.0766 5.99315 17.1567 8.91301 5.20762 numMergedOcc 0
34 mol 156 unq 0 iso 0 dist 7.80643 6.52984 7.44554 11.7605 9.44367 5.4555 numMergedOcc 0
35 mol 156 unq 1 iso 0 dist 7.80643 6.52984 7.44554 5.95655 9.47433 11.9952 numMergedOcc 0
36 mol 167 unq 0 iso 0 dist 6.64164 5.361 9.87651 10.2539 9.67741 13.0123 numMergedOcc 0
37 mol 181 unq 0 iso 0 dist 6.07676 6.05039 8.03334 6.28923 6.46704 4.43096 numMergedOcc 0
38 mol 181 unq 1 iso 0 dist 6.07676 6.05039 8.03334 6.10683 6.59025 8.04639 numMergedOcc 0
39 mol 181 unq 2 iso 0 dist 6.96824 8.76337 7.63312 4.75774 5.9176 5.63555 numMergedOcc 0
40 mol 181 unq 3 iso 0 dist 6.96824 8.76337 7.63312 9.91956 6.41453 7.20191 numMergedOcc 0
41 mol 181 unq 4 iso 0 dist 9.25528 18.2027 9.1374 15.4597 8.90963 8.91338 numMergedOcc 0
42 mol 181 unq 5 iso 0 dist 9.25528 11.4901 5.98885 15.4597 8.90963 9.81073 numMergedOcc 0
43 mol 181 unq 6 iso 0 dist 9.25528 11.9545 9.15386 15.4597 8.90963 9.34211 numMergedOcc 0
44 mol 182 unq 0 iso 0 dist 6.31492 7.48422 9.31746 7.00671 6.73956 7.68794 numMergedOcc 0
45 mol 182 unq 1 iso 0 dist 6.31492 7.48422 9.31746 11.1247 7.09394 9.37404 numMergedOcc 0
46 mol 182 unq 2 iso 0 dist 7.8621 6.98787 9.31746 9.23913 6.73956 7.68794 numMergedOcc 0
47 mol 182 unq 3 iso 0 dist 7.8621 6.98787 9.31746 5.77163 7.09394 9.37404 numMergedOcc 0
48 mol 192 unq 0 iso 0 dist 9.05666 5.64431 5.59424 5.76622 8.77999 8.49529 numMergedOcc 0
49 mol 192 unq 1 iso 0 dist 9.05666 10.8223 7.00794 5.76622 8.77999 11.7523 numMergedOcc 0
50 mol 204 unq 0 iso 0 dist 7.92766 14.0488 7.10633 15.254 9.68728 7.67571 numMergedOcc 0
51 mol 204 unq 1 iso 0 dist 7.92766 7.58285 8.51516 15.254 9.68728 10.8573 numMergedOcc 0
52 mol 205 unq 0 iso 0 dist 7.36642 4.87114 6.03031 10.098 6.03688 8.15057 numMergedOcc 0
53 mol 205 unq 1 iso 0 dist 7.36642 9.43922 7.26832 10.098 6.03688 12.4957 numMergedOcc 0
54 mol 205 unq 2 iso 0 dist 7.36642 6.98312 7.80463 10.098 6.03688 6.09749 numMergedOcc 0
55 mol 206 unq 0 iso 0 dist 8.59262 4.38308 8.02137 14.201 7.75885 12.7604 numMergedOcc 0
56 mol 206 unq 1 iso 0 dist 8.59262 13.472 9.774 14.201 7.75885 6.45859 numMergedOcc 0
57 mol 220 unq 0 iso 0 dist 8.93637 14.8074 9.23153 12.5597 6.59716 7.11498 numMergedOcc 0
58 mol 224 unq 0 iso 0 dist 7.69537 5.92906 9.40098 9.80934 9.51597 4.98993 numMergedOcc 0
59 mol 224 unq 1 iso 0 dist 7.69537 5.41675 6.61986 9.80934 9.51597 12.4692 numMergedOcc 0
60 mol 231 unq 0 iso 0 dist 8.17766 11.3675 7.37839 6.62976 7.79066 9.0443 numMergedOcc 0
61 mol 231 unq 1 iso 0 dist 8.17766 12.5238 8.40182 6.62976 7.79066 12.1512 numMergedOcc 0
62 mol 231 unq 2 iso 0 dist 9.84965 14.0116 7.37839 5.74327 7.79066 9.0443 numMergedOcc 0
63 mol 231 unq 3 iso 0 dist 9.84965 16.7305 8.40182 5.74327 7.79066 12.1512 numMergedOcc 0
64 mol 238 unq 0 iso 0 dist 7.13194 9.05069 5.72887 10.0472 9.24557 14.7883 numMergedOcc 0
65 mol 238 unq 1 iso 0 dist 7.80166 6.77788 5.72887 13.6806 9.24557 14.7883 numMergedOcc 0
66 mol 249 unq 0 iso 0 dist 6.42827 8.22485 7.57994 5.74889 5.48118 10.7772 numMergedOcc 0
67 mol 249 unq 1 iso 0 dist 6.42827 6.77698 6.18582 5.74889 5.48118 7.04666 numMergedOcc 0
68 mol 258 unq 0 iso 0 dist 7.22378 6.8193 6.60405 4.39424 7.21311 5.63675 numMergedOcc 0
69 mol 259 unq 0 iso 0 dist 6.49599 14.1932 8.13497 10.451 7.98231 8.41846 numMergedOcc 0
70 mol 259 unq 1 iso 0 dist 6.49599 13.8605 7.88519 10.451 7.98231 8.81835 numMergedOcc 0
71 mol 259 unq 2 iso 0 dist 9.47382 13.8605 7.46176 10.451 7.08526 8.81835 numMergedOcc 0
72 mol 292 unq 0 iso 0 dist 5.69465 8.46956 8.2734 11.7781 7.07965 10.8848 numMergedOcc 0
