0 mol 10 unq 0 iso 0 dist 7.83083 5.4053 8.3613 6.90469 3.3748 9.33141 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 9.05394 5.62174 8.3613 11.2649 3.3748 9.33141 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 6.90469 5.4053 9.33141 7.83083 3.3748 8.3613 numMergedOcc 0
3 mol 11 unq 0 iso 0 dist 9.08736 7.86896 8.68293 9.74528 14.8738 6.84216 numMergedOcc 0
4 mol 11 unq 1 iso 0 dist 9.74528 7.86896 6.84216 9.08736 14.8738 8.68293 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 8.11143 6.88453 7.49157 10.4823 4.10458 7.73794 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 9.32525 7.02846 8.06267 9.05444 3.20411 5.88334 numMergedOcc 0
7 mol 68 unq 1 iso 0 dist 9.05444 7.02846 5.88334 9.32525 3.20411 8.06267 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 9.93747 9.1771 8.34957 12.1268 4.60796 7.91148 numMergedOcc 0
9 mol 78 unq 1 iso 0 dist 9.93747 9.1771 8.34957 12.9539 7.19832 6.59794 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 8.66427 8.38101 5.85237 10.9038 2.58673 7.69926 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 7.51319 10.7979 7.69926 8.49887 2.58673 5.85237 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 8.49887 10.7979 5.85237 7.51319 2.58673 7.69926 numMergedOcc 0
13 mol 85 unq 3 iso 0 dist 9.43839 14.4751 7.69926 10.329 2.58673 5.85237 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 9.57769 10.9135 9.30832 16.4587 10.8127 7.02367 numMergedOcc 0
15 mol 129 unq 0 iso 0 dist 4.4077 4.80675 7.97548 8.4874 5.83342 9.64164 numMergedOcc 0
16 mol 129 unq 1 iso 0 dist 8.4874 4.80675 9.64164 4.4077 5.83342 7.97548 numMergedOcc 0
17 mol 152 unq 0 iso 0 dist 8.09561 10.0459 6.79114 9.07315 6.01609 7.59457 numMergedOcc 0
18 mol 152 unq 1 iso 0 dist 9.07315 10.0459 7.59457 8.09561 6.01609 6.79114 numMergedOcc 0
19 mol 183 unq 0 iso 0 dist 7.80268 4.67464 9.1139 10.7359 5.97875 9.20677 numMergedOcc 0
20 mol 198 unq 0 iso 0 dist 7.94413 4.81051 6.77156 11.458 5.53445 7.97894 numMergedOcc 0
21 mol 198 unq 1 iso 0 dist 7.94413 4.81051 6.77156 10.5362 10.4205 8.08471 numMergedOcc 0
22 mol 253 unq 0 iso 0 dist 6.93942 4.75041 5.77511 12.4572 13.6905 9.19385 numMergedOcc 0
23 mol 253 unq 1 iso 0 dist 6.93942 4.75041 5.77511 10.6968 5.35859 7.14243 numMergedOcc 0
24 mol 253 unq 2 iso 0 dist 6.93942 4.75041 5.77511 9.05161 3.10832 7.81382 numMergedOcc 0
25 mol 253 unq 3 iso 0 dist 6.93942 8.65261 9.27311 15.587 17.0369 8.94786 numMergedOcc 0
26 mol 253 unq 4 iso 0 dist 6.93942 8.65261 9.27311 12.4572 13.6905 9.1927 numMergedOcc 0
27 mol 253 unq 5 iso 0 dist 6.93942 8.65261 9.27311 10.6968 5.35859 9.60694 numMergedOcc 0
28 mol 253 unq 6 iso 0 dist 9.05161 4.75041 7.81382 12.4572 15.953 9.19385 numMergedOcc 0
29 mol 253 unq 7 iso 0 dist 9.05161 4.75041 7.81382 10.6968 6.37556 7.14243 numMergedOcc 0
30 mol 253 unq 8 iso 0 dist 9.05161 4.75041 7.81382 6.93942 3.10832 5.77511 numMergedOcc 0
31 mol 253 unq 9 iso 0 dist 9.80396 6.27022 8.94786 6.3093 6.8233 9.1927 numMergedOcc 0
32 mol 253 unq 10 iso 0 dist 9.80396 6.27022 8.94786 10.3161 15.2509 9.60694 numMergedOcc 0
33 mol 253 unq 11 iso 0 dist 9.80396 6.27022 8.94786 9.76083 17.0369 9.27311 numMergedOcc 0
34 mol 253 unq 12 iso 0 dist 6.3093 4.84708 9.19385 10.3161 11.5519 7.14243 numMergedOcc 0
35 mol 253 unq 13 iso 0 dist 6.3093 4.84708 9.19385 9.76083 13.6905 5.77511 numMergedOcc 0
36 mol 253 unq 14 iso 0 dist 6.3093 4.84708 9.19385 12.3413 15.953 7.81382 numMergedOcc 0
37 mol 253 unq 15 iso 0 dist 6.3093 6.27022 9.1927 9.80396 6.8233 8.94786 numMergedOcc 0
38 mol 253 unq 16 iso 0 dist 6.3093 6.27022 9.1927 10.3161 11.5519 9.60694 numMergedOcc 0
39 mol 253 unq 17 iso 0 dist 6.3093 6.27022 9.1927 9.76083 13.6905 9.27311 numMergedOcc 0
40 mol 253 unq 18 iso 0 dist 9.31626 8.62694 5.77511 17.1254 13.6905 9.19385 numMergedOcc 0
41 mol 253 unq 19 iso 0 dist 9.31626 8.62694 5.77511 13.8658 5.35859 7.14243 numMergedOcc 0
42 mol 253 unq 20 iso 0 dist 9.31626 8.62694 5.77511 9.77366 3.10832 7.81382 numMergedOcc 0
43 mol 253 unq 21 iso 0 dist 9.31626 14.0529 9.27311 20.9542 17.0369 8.94786 numMergedOcc 0
44 mol 253 unq 22 iso 0 dist 9.31626 14.0529 9.27311 17.1254 13.6905 9.1927 numMergedOcc 0
45 mol 253 unq 23 iso 0 dist 9.31626 14.0529 9.27311 13.8658 5.35859 9.60694 numMergedOcc 0
46 mol 253 unq 24 iso 0 dist 9.77366 8.62694 7.81382 17.1254 15.953 9.19385 numMergedOcc 0
47 mol 253 unq 25 iso 0 dist 9.77366 8.62694 7.81382 13.8658 6.37556 7.14243 numMergedOcc 0
48 mol 253 unq 26 iso 0 dist 9.77366 8.62694 7.81382 9.31626 3.10832 5.77511 numMergedOcc 0
49 mol 274 unq 0 iso 0 dist 8.67957 7.23876 8.12739 10.7454 5.57024 6.09853 numMergedOcc 0
50 mol 277 unq 0 iso 0 dist 4.1545 5.77904 4.9764 4.25172 3.41319 6.36559 numMergedOcc 0
51 mol 277 unq 1 iso 0 dist 4.25172 5.77904 6.36559 4.1545 3.41319 4.9764 numMergedOcc 0
52 mol 285 unq 0 iso 0 dist 6.07843 5.93692 6.71946 11.1685 9.00617 8.28061 numMergedOcc 0
53 mol 285 unq 1 iso 0 dist 6.07843 5.93692 6.71946 9.66678 7.33055 5.03601 numMergedOcc 0
54 mol 285 unq 2 iso 0 dist 7.08681 9.237 5.03601 14.144 7.33055 6.71946 numMergedOcc 0
55 mol 285 unq 3 iso 0 dist 7.08681 9.237 5.03601 9.30119 4.55612 8.28061 numMergedOcc 0
56 mol 285 unq 4 iso 0 dist 9.66678 5.93692 5.03601 6.07843 7.33055 6.71946 numMergedOcc 0
57 mol 285 unq 5 iso 0 dist 9.66678 5.93692 5.03601 11.1685 4.55612 8.28061 numMergedOcc 0
58 mol 292 unq 0 iso 0 dist 9.25289 8.15589 9.96374 11.4209 8.12358 5.41432 numMergedOcc 0
59 mol 292 unq 1 iso 0 dist 9.29687 15.908 9.96374 15.0166 8.12358 5.41432 numMergedOcc 0
