0 mol 26 unq 0 iso 0 dist 9.63803 6.66387 5.84066 10.5687 6.07276 4.98603 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.90986 6.77783 9.06516 14.288 6.81793 11.553 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 9.90986 11.7823 9.96121 14.288 6.81793 10.8434 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 9.22183 4.82659 6.79475 3.9882 9.96912 7.26595 numMergedOcc 0
4 mol 27 unq 0 iso 0 dist 6.56549 6.72058 6.78936 4.26037 5.9635 4.39306 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 9.43496 15.7577 9.39807 15.7834 6.87506 6.23341 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 5.33961 4.45424 4.44979 11.2155 9.25444 10.2677 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 5.33961 4.45424 4.44979 9.96465 8.46823 5.71029 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 8.3505 12.8333 6.61111 11.9783 9.84703 10.2677 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 8.3505 12.8333 6.61111 7.43001 4.62494 5.71029 numMergedOcc 0
10 mol 98 unq 4 iso 0 dist 9.29816 9.31771 4.44979 18.3829 9.25444 10.2677 numMergedOcc 0
11 mol 98 unq 5 iso 0 dist 9.29816 9.31771 4.44979 13.7832 8.46823 5.71029 numMergedOcc 0
12 mol 98 unq 6 iso 0 dist 5.08983 9.47873 4.44979 9.51607 9.25444 10.2677 numMergedOcc 0
13 mol 98 unq 7 iso 0 dist 5.08983 9.47873 4.44979 12.5752 8.46823 5.71029 numMergedOcc 0
14 mol 112 unq 0 iso 0 dist 4.77996 6.40435 6.12922 6.43704 6.11407 10.8329 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 9.76097 6.11049 8.50705 5.92811 9.94998 5.93461 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 5.56446 7.03121 4.26972 12.541 7.58337 6.76437 numMergedOcc 0
17 mol 141 unq 1 iso 0 dist 5.56446 5.65619 7.54341 12.541 7.58337 11.3535 numMergedOcc 0
18 mol 155 unq 0 iso 0 dist 7.25009 8.63858 7.29911 8.61147 9.16358 9.50478 numMergedOcc 0
19 mol 155 unq 1 iso 0 dist 7.25009 8.63858 7.29911 5.45915 9.24038 12.0574 numMergedOcc 0
20 mol 155 unq 2 iso 0 dist 7.25009 4.40049 5.36254 8.61147 9.16358 5.50045 numMergedOcc 0
21 mol 155 unq 3 iso 0 dist 7.25009 4.40049 5.36254 5.45915 9.24038 6.40403 numMergedOcc 0
22 mol 167 unq 0 iso 0 dist 6.48993 4.0737 7.30954 4.43501 8.86449 6.09121 numMergedOcc 0
23 mol 168 unq 0 iso 0 dist 7.30338 6.39941 7.06851 4.10406 9.42807 4.77731 numMergedOcc 0
24 mol 193 unq 0 iso 0 dist 7.85801 7.57363 5.79911 9.87367 8.15661 4.58486 numMergedOcc 0
25 mol 273 unq 0 iso 0 dist 8.89714 14.6301 9.06937 13.9497 5.61969 6.2726 numMergedOcc 0
26 mol 273 unq 1 iso 0 dist 8.89714 14.6301 9.06937 15.8207 9.0277 5.33053 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 4.97796 5.95459 6.66172 6.70266 9.65868 12.625 numMergedOcc 0
28 mol 274 unq 1 iso 0 dist 4.97796 5.95459 6.66172 5.15747 8.60027 4.60275 numMergedOcc 0
29 mol 279 unq 0 iso 0 dist 7.59142 13.1267 8.92667 4.01471 7.17958 14.9504 numMergedOcc 0
30 mol 279 unq 1 iso 0 dist 7.59142 6.7711 6.0283 4.01471 7.17958 9.09973 numMergedOcc 0
