0 mol 17 unq 0 iso 0 dist 9.52568 9.99682 10.2 9.55169 11.7814 16.8919 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 9.52568 9.99682 10.2 9.45609 12.3854 4.52169 numMergedOcc 0
2 mol 17 unq 2 iso 0 dist 9.52568 9.38298 9.4204 9.55169 11.7814 13.5023 numMergedOcc 0
3 mol 17 unq 3 iso 0 dist 9.52568 9.38298 9.4204 9.45609 12.3854 14.3796 numMergedOcc 0
4 mol 17 unq 4 iso 0 dist 9.15735 9.99682 6.57693 9.55169 14.955 16.8919 numMergedOcc 0
5 mol 17 unq 5 iso 0 dist 9.15735 9.99682 6.57693 9.45609 7.77586 4.52169 numMergedOcc 0
6 mol 17 unq 6 iso 0 dist 9.15735 9.38298 17.5895 9.55169 14.955 13.5023 numMergedOcc 0
7 mol 17 unq 7 iso 0 dist 9.15735 9.38298 17.5895 9.45609 7.77586 14.3796 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 9.26742 7.03345 15.4162 9.27448 10.3386 10.9099 numMergedOcc 0
9 mol 25 unq 1 iso 0 dist 9.26742 7.03345 15.4162 9.07927 13.8914 9.39124 numMergedOcc 0
10 mol 25 unq 2 iso 0 dist 9.26742 7.03345 15.4162 8.50987 15.924 7.11047 numMergedOcc 0
11 mol 25 unq 3 iso 0 dist 9.26742 5.2296 12.1495 9.27448 10.3386 11.1747 numMergedOcc 0
12 mol 25 unq 4 iso 0 dist 9.26742 5.2296 12.1495 9.07927 13.8914 11.898 numMergedOcc 0
13 mol 25 unq 5 iso 0 dist 9.26742 5.2296 12.1495 8.50987 15.924 10.7715 numMergedOcc 0
14 mol 54 unq 0 iso 0 dist 9.90537 5.47819 10.946 7.89001 11.9881 4.12189 numMergedOcc 0
15 mol 56 unq 0 iso 0 dist 7.6585 8.78393 9.08953 7.59663 5.47911 3.73188 numMergedOcc 0
16 mol 56 unq 1 iso 0 dist 9.71282 8.78393 4.98324 7.59663 7.40093 3.73188 numMergedOcc 0
17 mol 76 unq 0 iso 0 dist 8.99189 9.49371 5.22567 5.17291 5.31439 7.84269 numMergedOcc 0
18 mol 76 unq 1 iso 0 dist 8.94097 5.05941 5.22567 8.81569 5.31439 7.84269 numMergedOcc 0
19 mol 98 unq 0 iso 0 dist 8.01128 7.40481 7.89992 9.58693 9.30656 4.75433 numMergedOcc 0
20 mol 98 unq 1 iso 0 dist 8.01128 7.40481 7.89992 9.48388 14.8937 16.7643 numMergedOcc 0
21 mol 101 unq 0 iso 0 dist 5.58941 8.70947 4.84084 8.23251 4.79998 4.59715 numMergedOcc 0
22 mol 101 unq 1 iso 0 dist 5.58941 8.70947 4.84084 7.42893 5.16122 9.80321 numMergedOcc 0
23 mol 103 unq 0 iso 0 dist 8.2592 7.4713 9.49268 8.26309 5.22375 5.16546 numMergedOcc 0
24 mol 103 unq 1 iso 0 dist 8.2592 8.91952 5.73608 8.26309 5.22375 9.02414 numMergedOcc 0
25 mol 129 unq 0 iso 0 dist 9.51379 5.92115 10.5953 9.06272 15.0369 6.13737 numMergedOcc 0
26 mol 170 unq 0 iso 0 dist 7.70662 5.13315 7.9212 7.665 8.83341 4.81264 numMergedOcc 0
27 mol 213 unq 0 iso 0 dist 8.10832 4.85533 5.52017 8.67044 10.2694 7.76105 numMergedOcc 0
28 mol 220 unq 0 iso 0 dist 6.61361 9.89918 7.6349 4.71754 7.17028 6.36617 numMergedOcc 0
29 mol 228 unq 0 iso 0 dist 9.89425 8.27678 12.6358 8.89311 10.9632 4.83458 numMergedOcc 0
30 mol 249 unq 0 iso 0 dist 7.34573 6.88579 12.8692 9.0157 13.2709 9.37444 numMergedOcc 0
31 mol 249 unq 1 iso 0 dist 7.34573 6.88579 12.8692 9.14351 9.82483 14.2876 numMergedOcc 0
32 mol 249 unq 2 iso 0 dist 7.34573 7.30848 8.77577 9.0157 13.2709 9.92121 numMergedOcc 0
33 mol 249 unq 3 iso 0 dist 7.34573 7.30848 8.77577 9.14351 9.82483 12.8314 numMergedOcc 0
34 mol 266 unq 0 iso 0 dist 9.62474 4.98594 9.89221 8.82941 18.4374 10.7574 numMergedOcc 0
35 mol 266 unq 1 iso 0 dist 8.01441 4.98594 6.87665 8.82941 5.928 10.7574 numMergedOcc 0
36 mol 279 unq 0 iso 0 dist 8.2905 8.36667 5.0671 9.60619 9.40038 9.98703 numMergedOcc 0
37 mol 279 unq 1 iso 0 dist 8.2905 6.74021 6.42071 9.60619 9.40038 11.6718 numMergedOcc 0
38 mol 279 unq 2 iso 0 dist 9.47256 8.36667 7.96104 9.60619 14.0595 9.98703 numMergedOcc 0
39 mol 279 unq 3 iso 0 dist 9.47256 6.74021 5.75891 9.60619 14.0595 11.6718 numMergedOcc 0
