0 mol 58 unq 0 iso 0 dist 8.68381 9.57292 11.0735 12.5529 6.36193 16.8535 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 8.68381 9.57292 11.0735 8.47822 4.88613 14.5609 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 8.54119 8.06894 6.42684 7.97717 9.87719 9.59184 numMergedOcc 0
3 mol 91 unq 0 iso 0 dist 7.62621 7.09177 8.88997 14.5145 8.86252 16.7651 numMergedOcc 0
4 mol 110 unq 0 iso 0 dist 8.36172 7.59747 6.88119 5.33778 9.73174 9.10911 numMergedOcc 0
5 mol 173 unq 0 iso 0 dist 7.76856 9.31914 11.5164 11.3653 8.1088 18.3573 numMergedOcc 0
6 mol 181 unq 0 iso 0 dist 5.08796 7.24832 3.59953 10.9813 9.84952 8.29467 numMergedOcc 0
7 mol 181 unq 1 iso 0 dist 5.93515 7.24832 9.61614 10.7307 7.41378 14.7884 numMergedOcc 0
8 mol 185 unq 0 iso 0 dist 6.06763 8.60009 5.80135 12.6996 9.878 12.7881 numMergedOcc 0
9 mol 196 unq 0 iso 0 dist 8.78916 8.32524 3.56238 8.07956 8.79558 9.91421 numMergedOcc 0
10 mol 218 unq 0 iso 0 dist 7.38022 9.08818 6.03974 6.75711 8.5119 6.1896 numMergedOcc 0
11 mol 218 unq 1 iso 0 dist 7.38022 8.5163 3.49762 6.75711 8.5119 11.1326 numMergedOcc 0
12 mol 225 unq 0 iso 0 dist 6.83539 8.52735 3.42123 4.41663 9.86371 12.3169 numMergedOcc 0
13 mol 225 unq 1 iso 0 dist 6.83539 5.65735 6.9328 4.41663 9.86371 8.40074 numMergedOcc 0
14 mol 225 unq 2 iso 0 dist 6.22747 8.52735 5.59654 4.41663 9.13552 12.3169 numMergedOcc 0
15 mol 225 unq 3 iso 0 dist 6.22747 5.65735 3.90226 4.41663 9.13552 8.40074 numMergedOcc 0
16 mol 274 unq 0 iso 0 dist 9.96682 5.77565 7.72539 13.2905 9.09967 13.0817 numMergedOcc 0
17 mol 274 unq 1 iso 0 dist 9.96682 5.77565 7.72539 4.68199 8.49076 8.12739 numMergedOcc 0
18 mol 274 unq 2 iso 0 dist 9.96682 6.32853 8.78528 13.2905 9.09967 16.0111 numMergedOcc 0
19 mol 274 unq 3 iso 0 dist 9.96682 6.32853 8.78528 4.68199 8.49076 6.09853 numMergedOcc 0
