0 mol 5 unq 0 iso 0 dist 7.4332 9.45559 4.84696 8.33646 6.14476 10.9683 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 5.85081 4.75533 5.47 11.8626 6.11048 10.9235 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 5.85081 4.75533 5.47 13.1565 8.14998 12.0338 numMergedOcc 0
3 mol 10 unq 0 iso 0 dist 7.83083 6.90469 3.3748 5.4053 8.3613 9.33141 numMergedOcc 0
4 mol 10 unq 1 iso 0 dist 6.90469 7.83083 3.3748 5.4053 9.33141 8.3613 numMergedOcc 0
5 mol 11 unq 0 iso 0 dist 9.08736 9.74528 14.8738 7.86896 8.68293 6.84216 numMergedOcc 0
6 mol 11 unq 1 iso 0 dist 9.74528 9.08736 14.8738 7.86896 6.84216 8.68293 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 8.11143 8.9776 7.83805 6.88453 7.49157 12.666 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 9.32525 9.05444 3.20411 7.02846 8.06267 5.88334 numMergedOcc 0
9 mol 68 unq 1 iso 0 dist 9.05444 9.32525 3.20411 7.02846 5.88334 8.06267 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 4.8983 9.85386 11.6321 4.30874 7.37171 12.8223 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 4.8983 9.85386 11.6321 6.97502 8.62079 15.8501 numMergedOcc 0
12 mol 78 unq 0 iso 0 dist 9.93747 9.39265 4.5481 9.1771 8.34957 11.0597 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 7.51319 8.49887 2.58673 10.7979 7.69926 5.85237 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 8.49887 7.51319 2.58673 10.7979 5.85237 7.69926 numMergedOcc 0
15 mol 85 unq 2 iso 0 dist 8.49887 7.51319 2.58673 15.9875 9.11768 9.7173 numMergedOcc 0
16 mol 129 unq 0 iso 0 dist 4.4077 8.4874 5.83342 4.80675 7.97548 9.64164 numMergedOcc 0
17 mol 129 unq 1 iso 0 dist 4.4077 8.4874 5.83342 5.57362 9.9291 12.7196 numMergedOcc 0
18 mol 129 unq 2 iso 0 dist 4.4077 8.4874 5.83342 7.01358 7.32151 13.0781 numMergedOcc 0
19 mol 129 unq 3 iso 0 dist 8.4874 4.4077 5.83342 4.80675 9.64164 7.97548 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 9.57243 8.12558 13.315 12.8338 7.46621 18.7632 numMergedOcc 0
21 mol 152 unq 0 iso 0 dist 8.09561 9.07315 6.01609 10.0459 6.79114 7.59457 numMergedOcc 0
22 mol 152 unq 1 iso 0 dist 9.07315 8.09561 6.01609 10.0459 7.59457 6.79114 numMergedOcc 0
23 mol 152 unq 2 iso 0 dist 9.07315 8.09561 6.01609 14.7437 9.00072 10.338 numMergedOcc 0
24 mol 152 unq 3 iso 0 dist 9.07315 8.09561 6.01609 10.719 7.55419 10.3706 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 4.79423 6.97766 6.13455 8.24478 5.90765 12.038 numMergedOcc 0
26 mol 194 unq 0 iso 0 dist 7.56217 9.81055 3.78714 13.445 9.52922 11.7672 numMergedOcc 0
27 mol 194 unq 1 iso 0 dist 9.81055 7.56217 3.78714 18.4888 9.38984 13.001 numMergedOcc 0
28 mol 194 unq 2 iso 0 dist 9.81055 7.56217 3.78714 19.6126 9.91118 13.1712 numMergedOcc 0
29 mol 253 unq 0 iso 0 dist 6.93942 9.05161 3.10832 4.75041 5.77511 7.81382 numMergedOcc 0
30 mol 253 unq 1 iso 0 dist 6.93942 9.05161 3.10832 8.65261 9.27311 12.3519 numMergedOcc 0
31 mol 253 unq 2 iso 0 dist 9.05161 6.93942 3.10832 4.75041 7.81382 5.77511 numMergedOcc 0
32 mol 253 unq 3 iso 0 dist 9.80396 6.3093 6.8233 6.27022 8.94786 9.1927 numMergedOcc 0
33 mol 253 unq 4 iso 0 dist 6.3093 9.80396 6.8233 4.84708 9.19385 13.723 numMergedOcc 0
34 mol 253 unq 5 iso 0 dist 6.3093 9.80396 6.8233 6.27022 9.1927 8.94786 numMergedOcc 0
35 mol 253 unq 6 iso 0 dist 9.31626 9.77366 3.10832 8.62694 5.77511 7.81382 numMergedOcc 0
36 mol 253 unq 7 iso 0 dist 9.31626 9.77366 3.10832 14.0529 9.27311 12.3519 numMergedOcc 0
37 mol 253 unq 8 iso 0 dist 9.77366 9.31626 3.10832 8.62694 7.81382 5.77511 numMergedOcc 0
38 mol 266 unq 0 iso 0 dist 4.95415 7.36137 3.00605 5.98169 9.29666 12.0003 numMergedOcc 0
39 mol 266 unq 1 iso 0 dist 6.38519 6.83784 3.00605 13.8919 9.29666 12.0003 numMergedOcc 0
40 mol 277 unq 0 iso 0 dist 4.1545 4.25172 3.41319 10.4297 7.42932 10.5562 numMergedOcc 0
41 mol 277 unq 1 iso 0 dist 4.1545 4.25172 3.41319 5.77904 4.9764 6.36559 numMergedOcc 0
42 mol 277 unq 2 iso 0 dist 4.25172 4.1545 3.41319 5.77904 6.36559 4.9764 numMergedOcc 0
43 mol 285 unq 0 iso 0 dist 6.07843 9.66678 7.33055 5.93692 6.71946 5.03601 numMergedOcc 0
44 mol 285 unq 1 iso 0 dist 7.08681 4.95596 11.9982 9.237 5.03601 13.3277 numMergedOcc 0
45 mol 285 unq 2 iso 0 dist 7.08681 6.3508 11.9803 9.237 5.03601 13.1368 numMergedOcc 0
46 mol 285 unq 3 iso 0 dist 7.08681 8.3005 14.1264 9.237 5.03601 17.3828 numMergedOcc 0
47 mol 285 unq 4 iso 0 dist 9.66678 6.07843 7.33055 5.93692 5.03601 6.71946 numMergedOcc 0
