0 mol 85 unq 0 iso 0 dist 9.27584 6.53819 8.00777 11.0833 6.00564 6.62562 numMergedOcc 0
1 mol 85 unq 1 iso 0 dist 9.27584 9.9705 7.1589 11.0833 6.00564 5.46695 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 6.40964 9.40813 8.65802 6.82303 9.93806 5.44942 numMergedOcc 0
3 mol 109 unq 0 iso 0 dist 8.71813 9.09837 8.67766 10.1633 7.04752 9.44195 numMergedOcc 0
4 mol 109 unq 1 iso 0 dist 8.71813 10.9676 8.0831 10.1633 7.04752 4.26194 numMergedOcc 0
5 mol 140 unq 0 iso 0 dist 9.38985 6.69824 8.64368 5.30348 7.53759 9.0558 numMergedOcc 0
6 mol 158 unq 0 iso 0 dist 6.64084 9.91097 7.88319 10.4764 9.38045 12.9396 numMergedOcc 0
7 mol 162 unq 0 iso 0 dist 8.6792 6.22059 6.20182 4.15457 6.00293 5.05715 numMergedOcc 0
8 mol 175 unq 0 iso 0 dist 9.02096 13.6066 8.0154 7.18711 6.59925 13.4456 numMergedOcc 0
9 mol 214 unq 0 iso 0 dist 5.96047 7.98893 7.05523 9.70491 9.734 3.7112 numMergedOcc 0
10 mol 214 unq 1 iso 0 dist 5.96047 14.3395 8.46327 9.70491 9.734 15.5459 numMergedOcc 0
11 mol 230 unq 0 iso 0 dist 6.86851 12.2372 6.41286 6.72933 7.81987 10.3804 numMergedOcc 0
12 mol 230 unq 1 iso 0 dist 9.88392 9.33469 6.41286 15.9225 7.81987 10.3804 numMergedOcc 0
13 mol 240 unq 0 iso 0 dist 8.67485 5.36005 9.47583 9.07016 7.35934 11.6095 numMergedOcc 0
14 mol 240 unq 1 iso 0 dist 8.67485 4.4564 8.44909 9.07016 7.35934 11.9494 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 8.35413 5.38982 6.70815 11.9012 8.65191 9.34197 numMergedOcc 0
16 mol 258 unq 1 iso 0 dist 8.35413 12.3699 7.99477 11.9012 8.65191 8.40328 numMergedOcc 0
17 mol 276 unq 0 iso 0 dist 4.92907 7.18694 6.70215 13.5625 9.2211 13.6248 numMergedOcc 0
18 mol 276 unq 1 iso 0 dist 4.92907 5.55879 7.25423 13.5625 9.2211 13.7566 numMergedOcc 0
19 mol 276 unq 2 iso 0 dist 4.92907 5.49958 7.88706 13.5625 9.2211 13.2807 numMergedOcc 0
20 mol 276 unq 3 iso 0 dist 4.92907 11.4256 7.23916 13.5625 9.2211 6.04845 numMergedOcc 0
