0 mol 0 unq 0 iso 0 dist 8.99617 11.2001 9.19007 5.22416 6.94943 6.0225 numMergedOcc 0
1 mol 1 unq 0 iso 0 dist 9.60596 9.01148 8.26708 10.9826 7.27254 6.27888 numMergedOcc 0
2 mol 1 unq 1 iso 0 dist 9.60596 12.4943 6.09918 10.9826 7.27254 4.50502 numMergedOcc 0
3 mol 7 unq 0 iso 0 dist 7.21619 8.75206 8.80762 10.2872 8.45544 12.8323 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 9.33162 9.97169 8.44903 9.28401 7.15901 4.96926 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 9.41473 6.6796 9.93832 9.74667 7.24352 10.8828 numMergedOcc 0
6 mol 43 unq 2 iso 0 dist 9.41473 10.2523 8.60739 9.74667 7.24352 5.07458 numMergedOcc 0
7 mol 51 unq 0 iso 0 dist 6.94742 6.43322 7.76282 7.61933 7.40639 4.146 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 9.23537 15.1847 8.03303 11.3631 7.69861 8.96557 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 8.95491 11.9657 6.49956 12.6233 7.0561 4.3481 numMergedOcc 0
10 mol 103 unq 0 iso 0 dist 6.51666 10.6649 9.44561 7.07978 6.46343 4.65519 numMergedOcc 0
11 mol 103 unq 1 iso 0 dist 8.21549 6.35372 9.44561 7.93499 6.46343 4.65519 numMergedOcc 0
12 mol 126 unq 0 iso 0 dist 8.8359 9.07346 9.46588 6.36968 8.66815 10.7549 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 4.7699 7.50998 8.56003 6.95933 9.05336 6.11469 numMergedOcc 0
14 mol 171 unq 0 iso 0 dist 7.11599 12.3586 7.71426 11.4357 9.13027 11.8244 numMergedOcc 0
15 mol 171 unq 1 iso 0 dist 7.11599 9.45239 5.10618 11.4357 9.13027 13.9189 numMergedOcc 0
16 mol 171 unq 2 iso 0 dist 7.11599 6.08244 9.86681 11.4357 9.13027 8.25926 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 9.05979 7.10544 9.56197 10.6388 8.57801 6.89047 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 9.05979 10.591 7.24795 10.6388 8.57801 3.90244 numMergedOcc 0
19 mol 186 unq 2 iso 0 dist 9.05979 8.86145 8.64409 10.6388 8.57801 12.6058 numMergedOcc 0
20 mol 186 unq 3 iso 0 dist 9.05979 10.8899 7.60202 10.6388 8.57801 7.21555 numMergedOcc 0
21 mol 186 unq 4 iso 0 dist 8.83254 7.9704 7.28841 11.0223 8.17226 8.0472 numMergedOcc 0
22 mol 194 unq 0 iso 0 dist 9.13708 5.03763 6.26839 13.2622 5.53324 10.0756 numMergedOcc 0
23 mol 194 unq 1 iso 0 dist 9.13708 5.03763 6.26839 14.7732 6.72182 11.8031 numMergedOcc 0
24 mol 194 unq 2 iso 0 dist 9.13708 12.8318 8.12346 13.2622 5.53324 10.2793 numMergedOcc 0
25 mol 194 unq 3 iso 0 dist 9.13708 12.8318 8.12346 14.7732 6.72182 9.09233 numMergedOcc 0
26 mol 194 unq 4 iso 0 dist 9.13708 16.5287 8.83356 13.2622 5.53324 10.463 numMergedOcc 0
27 mol 194 unq 5 iso 0 dist 9.13708 16.5287 8.83356 14.7732 6.72182 4.66791 numMergedOcc 0
28 mol 194 unq 6 iso 0 dist 9.13708 11.4735 8.2654 13.2622 5.53324 12.8494 numMergedOcc 0
29 mol 194 unq 7 iso 0 dist 9.13708 11.4735 8.2654 14.7732 6.72182 7.73551 numMergedOcc 0
30 mol 210 unq 0 iso 0 dist 8.53457 13.2569 7.63018 5.80754 9.14831 11.3763 numMergedOcc 0
31 mol 218 unq 0 iso 0 dist 9.71415 13.4459 8.86175 9.91013 8.04838 3.8877 numMergedOcc 0
32 mol 218 unq 1 iso 0 dist 9.71415 13.3081 6.29511 9.91013 8.04838 6.0516 numMergedOcc 0
33 mol 227 unq 0 iso 0 dist 5.05201 9.08827 8.38865 5.78524 5.28771 4.1511 numMergedOcc 0
34 mol 227 unq 1 iso 0 dist 5.05201 5.70988 5.4694 5.78524 5.28771 4.69247 numMergedOcc 0
35 mol 227 unq 2 iso 0 dist 8.84358 5.24186 5.87815 4.07534 9.71916 5.73883 numMergedOcc 0
36 mol 230 unq 0 iso 0 dist 8.02209 6.87235 6.41286 10.757 7.07833 9.70574 numMergedOcc 0
37 mol 279 unq 0 iso 0 dist 7.92537 13.9298 8.29305 11.481 5.8304 6.5644 numMergedOcc 0
38 mol 279 unq 1 iso 0 dist 7.92537 13.9298 8.29305 11.9254 7.37478 8.70069 numMergedOcc 0
39 mol 279 unq 2 iso 0 dist 7.92537 9.73122 6.43341 11.481 5.8304 9.40912 numMergedOcc 0
40 mol 279 unq 3 iso 0 dist 7.92537 9.73122 6.43341 11.9254 7.37478 4.14939 numMergedOcc 0
