0 mol 12 unq 0 iso 0 dist 5.25583 5.77108 6.6051 6.7002 9.75368 6.98179 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 5.25583 8.27891 8.15864 6.7002 9.75368 6.9065 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.54999 6.81531 8.84944 6.56834 9.21978 7.95485 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.54999 6.81531 8.84944 14.3492 8.03754 14.9082 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 8.54999 10.5856 7.21995 6.56834 9.21978 6.80633 numMergedOcc 0
5 mol 43 unq 3 iso 0 dist 8.54999 10.5856 7.21995 14.3492 8.03754 4.80528 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 7.85826 7.26196 5.66803 6.51043 9.15386 6.33529 numMergedOcc 0
7 mol 64 unq 1 iso 0 dist 7.85826 7.27834 8.85416 6.51043 9.15386 10.9729 numMergedOcc 0
8 mol 66 unq 0 iso 0 dist 7.16147 4.35884 8.68658 10.0871 7.3359 11.4986 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 8.93939 16.0604 8.90896 6.34076 9.41049 18.2252 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 6.09318 7.90823 9.86325 5.56506 9.95767 6.02362 numMergedOcc 0
11 mol 78 unq 1 iso 0 dist 6.09318 7.90823 9.86325 4.81535 5.68286 9.54341 numMergedOcc 0
12 mol 147 unq 0 iso 0 dist 9.89646 12.352 5.32865 6.97147 9.88662 12.348 numMergedOcc 0
13 mol 147 unq 1 iso 0 dist 9.9332 10.4422 5.32865 6.27323 9.88662 12.348 numMergedOcc 0
14 mol 158 unq 0 iso 0 dist 6.33118 8.85571 9.96635 7.85912 9.99005 16.6371 numMergedOcc 0
15 mol 187 unq 0 iso 0 dist 9.383 6.06679 5.58167 9.03188 6.82787 4.98423 numMergedOcc 0
16 mol 206 unq 0 iso 0 dist 8.37024 5.06545 6.52136 10.9584 8.45825 5.91558 numMergedOcc 0
17 mol 209 unq 0 iso 0 dist 8.76212 4.91835 9.79293 9.47382 9.66809 5.35827 numMergedOcc 0
18 mol 233 unq 0 iso 0 dist 9.34605 5.89872 6.9103 9.08355 7.41931 10.2837 numMergedOcc 0
19 mol 236 unq 0 iso 0 dist 7.61854 11.7831 8.63249 5.03598 5.90804 10.2557 numMergedOcc 0
20 mol 236 unq 1 iso 0 dist 7.61854 8.73194 7.74348 5.03598 5.90804 6.49831 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 6.77267 4.20175 8.26312 4.97992 7.78671 7.05402 numMergedOcc 0
22 mol 239 unq 1 iso 0 dist 6.77267 4.43495 7.58554 4.97992 7.78671 8.27566 numMergedOcc 0
23 mol 243 unq 0 iso 0 dist 8.82741 7.50159 4.64178 9.30844 9.35819 5.94295 numMergedOcc 0
24 mol 243 unq 1 iso 0 dist 8.82741 14.8655 9.16988 9.30844 9.35819 16.7683 numMergedOcc 0
25 mol 243 unq 2 iso 0 dist 4.88105 4.7112 4.64178 9.73641 9.35819 5.94295 numMergedOcc 0
26 mol 243 unq 3 iso 0 dist 4.88105 9.56957 9.16988 9.73641 9.35819 16.7683 numMergedOcc 0
27 mol 243 unq 4 iso 0 dist 9.44057 8.85604 4.64178 14.3806 9.35819 5.94295 numMergedOcc 0
28 mol 243 unq 5 iso 0 dist 9.44057 6.36228 9.16988 14.3806 9.35819 16.7683 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 7.87577 4.69752 8.10903 6.60345 9.04358 9.78068 numMergedOcc 0
30 mol 265 unq 0 iso 0 dist 6.64109 10.9011 7.52632 7.34861 6.45326 6.35501 numMergedOcc 0
31 mol 265 unq 1 iso 0 dist 8.57593 10.0903 7.52632 6.58565 6.45326 6.35501 numMergedOcc 0
32 mol 274 unq 0 iso 0 dist 8.95153 7.77559 9.34051 4.68199 8.88221 7.23876 numMergedOcc 0
