0 mol 7 unq 0 iso 0 dist 5.99459 7.78327 7.00508 12.2041 9.67164 14.0084 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 6.6263 7.39848 5.14161 8.13395 6.75943 11.4251 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 5.38524 7.4785 5.77163 5.79773 8.66539 12.8726 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 5.38524 7.4785 5.77163 5.47421 8.69057 6.39747 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 8.69057 8.34191 11.7295 10.8779 8.66539 17.9574 numMergedOcc 0
5 mol 58 unq 3 iso 0 dist 8.69057 8.34191 11.7295 5.47421 5.38524 12.1872 numMergedOcc 0
6 mol 58 unq 4 iso 0 dist 8.69057 6.39747 5.77163 10.8779 8.66539 12.8726 numMergedOcc 0
7 mol 58 unq 5 iso 0 dist 8.69057 6.39747 5.77163 5.47421 5.38524 7.4785 numMergedOcc 0
8 mol 58 unq 6 iso 0 dist 8.96727 7.17488 10.5853 4.81926 9.22598 9.9105 numMergedOcc 0
9 mol 72 unq 0 iso 0 dist 9.74228 8.26541 4.38233 5.36766 7.12321 4.86198 numMergedOcc 0
10 mol 72 unq 1 iso 0 dist 9.74228 8.26541 4.38233 7.04035 6.21799 6.62699 numMergedOcc 0
11 mol 72 unq 2 iso 0 dist 7.12321 4.86198 4.38233 5.36766 9.74228 8.26541 numMergedOcc 0
12 mol 72 unq 3 iso 0 dist 7.12321 4.86198 4.38233 8.24309 6.21799 6.62699 numMergedOcc 0
13 mol 72 unq 4 iso 0 dist 6.21799 6.62699 4.38233 7.04035 9.74228 8.26541 numMergedOcc 0
14 mol 72 unq 5 iso 0 dist 6.21799 6.62699 4.38233 8.24309 7.12321 4.86198 numMergedOcc 0
15 mol 72 unq 6 iso 0 dist 5.03251 6.62699 5.62585 5.8486 9.56773 8.98867 numMergedOcc 0
16 mol 72 unq 7 iso 0 dist 9.56773 8.98867 5.62585 5.8486 5.03251 6.62699 numMergedOcc 0
17 mol 73 unq 0 iso 0 dist 5.5087 7.37171 10.0644 8.07446 5.61588 8.62079 numMergedOcc 0
18 mol 73 unq 1 iso 0 dist 5.61588 8.62079 10.0644 8.07446 5.5087 7.37171 numMergedOcc 0
19 mol 73 unq 2 iso 0 dist 6.08682 7.37171 12.1501 8.07446 7.83244 8.62079 numMergedOcc 0
20 mol 73 unq 3 iso 0 dist 7.83244 8.62079 12.1501 8.07446 6.08682 7.37171 numMergedOcc 0
21 mol 78 unq 0 iso 0 dist 6.85523 7.91148 6.99884 7.19663 8.65848 12.2138 numMergedOcc 0
22 mol 78 unq 1 iso 0 dist 6.85523 6.59794 3.75261 7.19663 8.65848 10.167 numMergedOcc 0
23 mol 78 unq 2 iso 0 dist 6.85523 8.34957 10.6388 7.19663 8.65848 13.9695 numMergedOcc 0
24 mol 88 unq 0 iso 0 dist 7.80898 9.07128 9.11654 12.1547 7.51139 16.5543 numMergedOcc 0
25 mol 88 unq 1 iso 0 dist 7.80898 6.65615 10.8983 12.1547 7.51139 16.665 numMergedOcc 0
26 mol 127 unq 0 iso 0 dist 7.79505 6.80627 11.1934 6.55997 7.36199 13.1048 numMergedOcc 0
27 mol 132 unq 0 iso 0 dist 6.89918 5.77186 6.96373 4.35917 7.89457 9.72307 numMergedOcc 0
28 mol 152 unq 0 iso 0 dist 6.59889 7.55934 5.12696 7.65448 6.70693 11.2397 numMergedOcc 0
29 mol 181 unq 0 iso 0 dist 8.59874 9.70481 18.0236 6.01247 9.76212 11.8368 numMergedOcc 0
30 mol 181 unq 1 iso 0 dist 9.01624 8.29467 11.4645 11.5866 5.05973 14.7884 numMergedOcc 0
31 mol 186 unq 0 iso 0 dist 7.05695 6.93931 5.4547 6.83796 9.3498 12.5081 numMergedOcc 0
32 mol 197 unq 0 iso 0 dist 9.10817 9.23086 17.435 5.43601 6.86828 13.9122 numMergedOcc 0
33 mol 218 unq 0 iso 0 dist 7.33709 7.84952 13.5381 4.72474 8.75536 11.8692 numMergedOcc 0
34 mol 218 unq 1 iso 0 dist 7.33709 7.84952 13.5381 5.61978 6.67404 12.5146 numMergedOcc 0
35 mol 219 unq 0 iso 0 dist 4.33238 9.64116 8.59843 7.02195 7.83604 15.8203 numMergedOcc 0
36 mol 251 unq 0 iso 0 dist 6.50357 8.45764 3.45567 5.19086 9.82601 10.1874 numMergedOcc 0
37 mol 277 unq 0 iso 0 dist 5.46926 7.42932 5.9732 7.69449 9.57499 12.762 numMergedOcc 0
38 mol 277 unq 1 iso 0 dist 5.46926 7.42932 5.9732 7.08227 8.9682 4.9764 numMergedOcc 0
39 mol 277 unq 2 iso 0 dist 8.9682 4.9764 5.9732 11.8268 9.57499 12.762 numMergedOcc 0
40 mol 277 unq 3 iso 0 dist 8.9682 4.9764 5.9732 7.08227 5.46926 7.42932 numMergedOcc 0
41 mol 277 unq 4 iso 0 dist 8.9682 6.36559 8.61922 11.8268 9.57499 14.7874 numMergedOcc 0
42 mol 277 unq 5 iso 0 dist 8.9682 6.36559 8.61922 7.08227 5.46926 10.5562 numMergedOcc 0
43 mol 277 unq 6 iso 0 dist 5.13913 7.42932 3.79766 7.08227 6.92711 4.9764 numMergedOcc 0
44 mol 277 unq 7 iso 0 dist 6.92711 4.9764 3.79766 7.08227 5.13913 7.42932 numMergedOcc 0
45 mol 277 unq 8 iso 0 dist 6.92711 6.36559 7.07613 7.08227 5.13913 10.5562 numMergedOcc 0
46 mol 292 unq 0 iso 0 dist 7.30758 9.96374 6.12546 10.3106 9.9182 15.9302 numMergedOcc 0
47 mol 292 unq 1 iso 0 dist 7.30758 9.96374 6.12546 12.6861 9.10788 11.6796 numMergedOcc 0
48 mol 292 unq 2 iso 0 dist 7.30758 5.41432 5.21887 10.3106 9.9182 10.7295 numMergedOcc 0
49 mol 292 unq 3 iso 0 dist 7.30758 5.41432 5.21887 12.6861 9.10788 13.8108 numMergedOcc 0
50 mol 292 unq 4 iso 0 dist 9.90967 9.93746 5.04658 11.8061 8.38121 10.1744 numMergedOcc 0
51 mol 292 unq 5 iso 0 dist 8.38121 6.69619 12.1704 11.8061 9.90967 17.2804 numMergedOcc 0
52 mol 292 unq 6 iso 0 dist 8.38121 4.49592 11.9106 11.8061 9.90967 16.1146 numMergedOcc 0
