0 mol 44 unq 0 iso 0 dist 7.20409 9.06073 11.0602 4.53848 7.61923 5.87258 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 5.93729 9.06073 6.3575 4.53848 5.11941 5.87258 numMergedOcc 0
2 mol 44 unq 2 iso 0 dist 9.7328 9.06073 3.97557 4.53848 7.7864 5.87258 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 7.19406 7.44944 8.73361 6.51519 7.57749 9.98922 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 5.78051 8.41359 8.12928 5.26955 5.41774 8.63743 numMergedOcc 0
5 mol 75 unq 0 iso 0 dist 8.4689 6.8025 5.42608 14.5765 9.54377 13.9971 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 9.0101 9.47924 15.1383 4.05111 6.63973 9.78762 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 4.3761 3.90209 8.19607 4.54306 5.33961 6.74197 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 5.84583 3.90209 4.67787 4.54306 5.08983 6.74197 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 4.90449 8.06422 7.49885 5.74561 5.90003 6.88175 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 9.87066 8.91629 10.1507 10.2997 9.10434 15.9217 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 6.4822 6.82371 7.05228 6.98797 5.56446 11.1153 numMergedOcc 0
12 mol 144 unq 0 iso 0 dist 9.87298 9.17163 12.3102 4.9743 7.46026 6.03283 numMergedOcc 0
13 mol 144 unq 1 iso 0 dist 9.87298 9.17163 12.3102 5.03085 7.94971 9.05357 numMergedOcc 0
14 mol 171 unq 0 iso 0 dist 7.7195 6.01062 9.44471 4.91613 6.51523 10.242 numMergedOcc 0
15 mol 171 unq 1 iso 0 dist 7.7195 8.63202 12.1824 4.91613 6.51523 8.09699 numMergedOcc 0
16 mol 171 unq 2 iso 0 dist 8.30819 4.46397 12.1824 4.61696 6.51523 8.09699 numMergedOcc 0
17 mol 192 unq 0 iso 0 dist 9.02212 9.41747 10.161 4.53842 8.8637 9.62225 numMergedOcc 0
18 mol 212 unq 0 iso 0 dist 7.67675 8.79252 13.7145 4.71123 5.03184 12.548 numMergedOcc 0
19 mol 212 unq 1 iso 0 dist 7.67675 8.09995 9.48834 4.71123 5.03184 7.06117 numMergedOcc 0
20 mol 222 unq 0 iso 0 dist 6.17749 8.27605 6.45821 10.935 8.86886 7.61739 numMergedOcc 0
21 mol 230 unq 0 iso 0 dist 6.97966 9.50208 9.00595 3.86571 8.98005 11.3188 numMergedOcc 0
22 mol 233 unq 0 iso 0 dist 8.73545 7.67027 15.6432 14.2672 8.7831 21.937 numMergedOcc 0
23 mol 233 unq 1 iso 0 dist 8.73545 7.67027 15.6432 14.2649 9.61071 21.7638 numMergedOcc 0
24 mol 233 unq 2 iso 0 dist 8.73545 7.67027 15.6432 7.83075 7.1229 15.0127 numMergedOcc 0
25 mol 233 unq 3 iso 0 dist 8.14581 7.67027 10.9337 7.83075 9.55705 15.0127 numMergedOcc 0
