0 mol 59 unq 0 iso 0 dist 5.68841 5.70814 4.85476 3.60121 7.75769 5.58384 numMergedOcc 0
1 mol 59 unq 1 iso 0 dist 7.75769 5.58384 4.85476 3.60121 5.68841 5.70814 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 8.95728 6.60294 9.22838 4.78291 13.1311 7.02173 numMergedOcc 0
3 mol 83 unq 0 iso 0 dist 9.05437 9.33202 5.36222 6.27574 9.00625 6.55004 numMergedOcc 0
4 mol 83 unq 1 iso 0 dist 9.05437 9.33202 5.36222 7.3091 10.8981 7.16614 numMergedOcc 0
5 mol 83 unq 2 iso 0 dist 9.05437 9.33202 5.36222 11.2611 13.9069 9.35188 numMergedOcc 0
6 mol 83 unq 3 iso 0 dist 9.00625 6.55004 5.36222 6.27574 9.05437 9.33202 numMergedOcc 0
7 mol 83 unq 4 iso 0 dist 9.00625 6.55004 5.36222 5.15058 10.8981 7.16614 numMergedOcc 0
8 mol 83 unq 5 iso 0 dist 9.00625 6.55004 5.36222 8.86913 13.9069 9.35188 numMergedOcc 0
9 mol 86 unq 0 iso 0 dist 8.43217 7.53441 5.9222 3.91884 10.6516 8.70136 numMergedOcc 0
10 mol 110 unq 0 iso 0 dist 9.71431 5.43052 9.44492 4.7071 13.9123 6.70591 numMergedOcc 0
11 mol 132 unq 0 iso 0 dist 8.08406 7.81335 4.90131 4.05522 5.73579 7.63333 numMergedOcc 0
12 mol 132 unq 1 iso 0 dist 5.73579 7.63333 4.90131 4.05522 8.08406 7.81335 numMergedOcc 0
13 mol 147 unq 0 iso 0 dist 9.80939 5.82034 8.27445 4.38675 13.228 6.56854 numMergedOcc 0
14 mol 195 unq 0 iso 0 dist 9.39697 9.0153 13.0454 3.98055 13.3425 9.89207 numMergedOcc 0
15 mol 195 unq 1 iso 0 dist 6.9612 9.89207 5.11289 3.98055 4.86882 9.0153 numMergedOcc 0
16 mol 195 unq 2 iso 0 dist 4.86882 9.0153 5.11289 3.98055 6.9612 9.89207 numMergedOcc 0
17 mol 225 unq 0 iso 0 dist 7.86364 7.0795 5.29135 3.3846 10.9803 9.76251 numMergedOcc 0
18 mol 264 unq 0 iso 0 dist 6.43775 9.8799 10.7459 14.4112 16.2142 8.05522 numMergedOcc 0
19 mol 269 unq 0 iso 0 dist 5.51844 7.97206 7.92346 9.73015 12.7426 7.1068 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 7.67032 4.75866 10.8666 9.52032 17.0685 7.87072 numMergedOcc 0
21 mol 283 unq 0 iso 0 dist 9.69083 8.80555 5.2842 10.8201 5.96202 8.80418 numMergedOcc 0
22 mol 283 unq 1 iso 0 dist 5.96202 8.80418 5.2842 10.8201 9.69083 8.80555 numMergedOcc 0
