0 mol 7 unq 0 iso 0 dist 8.8576 5.33843 5.99459 6.68629 7.78327 7.00508 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 9.70612 8.46463 9.19165 4.46801 7.68478 5.08577 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.66055 3.73561 5.38524 7.84103 7.4785 5.77163 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 9.45835 7.18645 6.85523 13.4907 7.91148 6.99884 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 9.45835 7.18645 6.85523 10.4533 6.59794 3.75261 numMergedOcc 0
5 mol 78 unq 2 iso 0 dist 9.45835 7.18645 6.85523 16.0314 8.34957 10.6388 numMergedOcc 0
6 mol 78 unq 3 iso 0 dist 9.45835 12.613 5.77326 13.4907 7.91148 4.75637 numMergedOcc 0
7 mol 78 unq 4 iso 0 dist 9.45835 12.613 5.77326 10.4533 6.59794 5.62063 numMergedOcc 0
8 mol 78 unq 5 iso 0 dist 9.45835 12.613 5.77326 16.0314 8.34957 3.81575 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 8.29529 7.05148 8.80934 3.7042 7.02367 3.52445 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 8.29529 7.05148 8.80934 12.8999 9.30832 10.4701 numMergedOcc 0
11 mol 116 unq 0 iso 0 dist 7.55822 8.3164 8.28795 4.26914 8.51123 6.51576 numMergedOcc 0
12 mol 122 unq 0 iso 0 dist 8.054 9.02961 6.00603 10.2953 4.42563 3.17342 numMergedOcc 0
13 mol 178 unq 0 iso 0 dist 7.14849 3.95924 9.11204 8.84201 4.72821 9.56928 numMergedOcc 0
14 mol 178 unq 1 iso 0 dist 8.63718 12.5927 9.11204 7.09333 4.72821 9.56928 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 8.16369 14.8867 8.73533 12.0957 5.90765 3.60793 numMergedOcc 0
16 mol 213 unq 0 iso 0 dist 7.22234 12.4111 8.21793 12.1593 8.82761 14.4808 numMergedOcc 0
17 mol 213 unq 1 iso 0 dist 5.86501 6.09933 8.21793 12.8419 8.82761 14.4808 numMergedOcc 0
18 mol 213 unq 2 iso 0 dist 8.48081 12.2429 8.22569 5.16198 9.09354 10.3403 numMergedOcc 0
19 mol 213 unq 3 iso 0 dist 8.48081 12.2429 8.22569 12.1593 4.66576 5.45331 numMergedOcc 0
20 mol 218 unq 0 iso 0 dist 9.85348 9.15328 7.33709 9.51802 7.84952 13.5381 numMergedOcc 0
21 mol 241 unq 0 iso 0 dist 6.97756 4.63415 7.95042 3.96499 7.52531 6.7194 numMergedOcc 0
22 mol 257 unq 0 iso 0 dist 8.95261 3.84196 8.83833 7.65595 9.6834 9.14227 numMergedOcc 0
23 mol 257 unq 1 iso 0 dist 7.80336 5.95711 8.83833 3.41163 9.6834 9.14227 numMergedOcc 0
24 mol 270 unq 0 iso 0 dist 7.05331 3.8694 9.31275 5.81979 8.65354 7.2389 numMergedOcc 0
25 mol 270 unq 1 iso 0 dist 7.05331 5.76483 8.56508 5.81979 8.65354 3.30547 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 9.64889 5.36788 9.35539 13.4595 4.9764 13.2853 numMergedOcc 0
27 mol 277 unq 1 iso 0 dist 9.64889 5.36788 9.35539 13.6295 6.36559 12.4985 numMergedOcc 0
28 mol 277 unq 2 iso 0 dist 9.64889 15.23 8.9682 13.4595 4.9764 5.9732 numMergedOcc 0
29 mol 277 unq 3 iso 0 dist 9.64889 15.23 8.9682 13.6295 6.36559 8.61922 numMergedOcc 0
30 mol 277 unq 4 iso 0 dist 9.64889 15.0167 6.92711 13.4595 4.9764 3.79766 numMergedOcc 0
31 mol 277 unq 5 iso 0 dist 9.64889 15.0167 6.92711 13.6295 6.36559 7.07613 numMergedOcc 0
32 mol 292 unq 0 iso 0 dist 7.11081 5.04876 9.46442 4.94483 9.96374 3.08474 numMergedOcc 0
33 mol 292 unq 1 iso 0 dist 7.11081 5.04876 9.46442 3.70851 5.41432 7.07029 numMergedOcc 0
34 mol 292 unq 2 iso 0 dist 7.11081 5.37135 7.30758 4.94483 9.96374 6.12546 numMergedOcc 0
35 mol 292 unq 3 iso 0 dist 7.11081 5.37135 7.30758 3.70851 5.41432 5.21887 numMergedOcc 0
36 mol 292 unq 4 iso 0 dist 7.11081 7.24839 9.5785 4.94483 9.96374 12.0714 numMergedOcc 0
37 mol 292 unq 5 iso 0 dist 7.11081 7.24839 9.5785 3.70851 5.41432 5.33188 numMergedOcc 0
38 mol 292 unq 6 iso 0 dist 7.11081 8.58496 9.76319 4.94483 9.96374 12.7236 numMergedOcc 0
39 mol 292 unq 7 iso 0 dist 7.11081 8.58496 9.76319 3.70851 5.41432 8.5186 numMergedOcc 0
