0 mol 0 unq 0 iso 0 dist 9.6994 9.23213 5.08793 6.40255 8.13129 6.15923 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.15528 9.23213 10.4498 6.40255 9.07223 6.15923 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.57077 6.33889 11.4878 9.32349 13.8869 5.80845 numMergedOcc 0
3 mol 15 unq 0 iso 0 dist 8.38064 8.21493 5.90976 10.9686 11.1896 6.52627 numMergedOcc 0
4 mol 15 unq 1 iso 0 dist 8.38064 8.21493 5.90976 5.88545 7.876 9.90484 numMergedOcc 0
5 mol 15 unq 2 iso 0 dist 9.97507 7.12903 5.90976 12.0584 11.1896 6.52627 numMergedOcc 0
6 mol 15 unq 3 iso 0 dist 9.97507 7.12903 5.90976 8.20465 7.876 9.90484 numMergedOcc 0
7 mol 15 unq 4 iso 0 dist 6.82505 7.12903 5.51916 12.0584 11.9723 6.52627 numMergedOcc 0
8 mol 15 unq 5 iso 0 dist 6.82505 7.12903 5.51916 8.20465 8.63502 9.90484 numMergedOcc 0
9 mol 54 unq 0 iso 0 dist 9.5589 5.02241 6.91765 8.17454 7.56581 9.34242 numMergedOcc 0
10 mol 54 unq 1 iso 0 dist 6.83299 5.02241 5.06052 8.17454 9.22021 9.34242 numMergedOcc 0
11 mol 54 unq 2 iso 0 dist 8.10861 5.02241 10.1332 8.17454 14.1587 9.34242 numMergedOcc 0
12 mol 88 unq 0 iso 0 dist 9.36773 9.2603 6.95868 9.75156 9.87388 8.39494 numMergedOcc 0
13 mol 88 unq 1 iso 0 dist 9.36773 9.2603 6.95868 6.81076 6.066 8.01572 numMergedOcc 0
14 mol 88 unq 2 iso 0 dist 8.31336 9.2603 6.97239 9.75156 12.8809 8.39494 numMergedOcc 0
15 mol 88 unq 3 iso 0 dist 8.31336 9.2603 6.97239 6.81076 9.36032 8.01572 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 9.60661 6.58204 10.9608 6.35939 10.8753 6.60772 numMergedOcc 0
17 mol 100 unq 1 iso 0 dist 7.17106 6.58204 5.01145 6.35939 10.6599 6.60772 numMergedOcc 0
18 mol 100 unq 2 iso 0 dist 9.35224 6.58204 5.69137 6.35939 7.5951 6.60772 numMergedOcc 0
19 mol 100 unq 3 iso 0 dist 7.47343 7.75343 15.209 4.46114 10.653 6.60772 numMergedOcc 0
20 mol 100 unq 4 iso 0 dist 6.65086 7.75343 10.9608 4.46114 10.8753 6.60772 numMergedOcc 0
21 mol 100 unq 5 iso 0 dist 6.56369 7.75343 5.69137 4.46114 7.5951 6.60772 numMergedOcc 0
22 mol 100 unq 6 iso 0 dist 9.30209 7.75343 9.21622 4.46114 12.2292 6.60772 numMergedOcc 0
23 mol 115 unq 0 iso 0 dist 9.33865 7.64585 10.2377 14.2517 13.8627 8.06435 numMergedOcc 0
24 mol 115 unq 1 iso 0 dist 6.11741 7.64585 10.8939 14.2517 17.8957 8.06435 numMergedOcc 0
25 mol 127 unq 0 iso 0 dist 9.30299 9.81878 4.77464 10.7123 5.72373 6.11979 numMergedOcc 0
26 mol 175 unq 0 iso 0 dist 9.29945 9.52634 9.11521 5.32538 6.95549 9.37196 numMergedOcc 0
27 mol 234 unq 0 iso 0 dist 9.45496 9.5707 15.9563 13.6071 20.7216 6.55256 numMergedOcc 0
28 mol 234 unq 1 iso 0 dist 6.7625 9.5707 14.4106 13.6071 17.0457 6.55256 numMergedOcc 0
29 mol 234 unq 2 iso 0 dist 8.41436 6.16063 11.3297 13.1319 19.2978 9.76304 numMergedOcc 0
30 mol 234 unq 3 iso 0 dist 8.92474 6.16063 10.2563 13.1319 13.6608 9.76304 numMergedOcc 0
31 mol 239 unq 0 iso 0 dist 7.00034 7.20082 7.04058 6.0356 11.9599 9.95624 numMergedOcc 0
32 mol 248 unq 0 iso 0 dist 7.69895 6.07192 6.48757 5.41499 12.1448 8.79594 numMergedOcc 0
33 mol 248 unq 1 iso 0 dist 7.21521 6.07192 5.51827 5.41499 9.12664 8.79594 numMergedOcc 0
34 mol 248 unq 2 iso 0 dist 8.2965 6.07192 9.29921 5.41499 6.51383 8.79594 numMergedOcc 0
35 mol 264 unq 0 iso 0 dist 9.361 9.0012 9.74238 12.9828 14.1712 6.31356 numMergedOcc 0
36 mol 264 unq 1 iso 0 dist 9.361 9.5784 9.85579 12.9828 14.1712 5.58704 numMergedOcc 0
37 mol 264 unq 2 iso 0 dist 6.24356 9.0012 5.12409 12.9828 10.6264 6.31356 numMergedOcc 0
38 mol 264 unq 3 iso 0 dist 6.24356 9.5784 9.67998 12.9828 10.6264 5.58704 numMergedOcc 0
39 mol 274 unq 0 iso 0 dist 8.49997 7.97444 6.8406 5.66046 6.93875 6.44447 numMergedOcc 0
