0 mol 8 unq 0 iso 0 dist 7.46102 7.96271 4.04644 10.4489 8.53529 11.6541 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.91301 7.96271 8.85986 10.4489 7.18019 11.6541 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 6.51397 8.79695 4.84673 4.27486 9.47063 11.2637 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 6.51397 5.2505 7.18286 4.27486 9.47063 9.40769 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.38387 9.52295 6.09486 7.13085 8.95682 12.0621 numMergedOcc 0
5 mol 44 unq 0 iso 0 dist 9.96265 9.38647 14.5995 12.8967 9.6782 20.6421 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 7.5819 9.98606 5.44942 4.00923 7.52354 11.2646 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 6.40546 8.04669 8.87718 5.73999 8.99399 13.5999 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 6.40546 7.46162 4.72999 5.73999 8.99399 10.7404 numMergedOcc 0
9 mol 119 unq 2 iso 0 dist 6.18763 6.29634 7.36889 6.49348 8.00003 12.0688 numMergedOcc 0
10 mol 119 unq 3 iso 0 dist 8.44385 6.29634 4.55137 4.01593 9.11344 7.84768 numMergedOcc 0
11 mol 119 unq 4 iso 0 dist 5.63005 6.29634 6.42493 4.01593 6.52773 7.84768 numMergedOcc 0
12 mol 119 unq 5 iso 0 dist 5.63005 6.29634 6.42493 13.1254 9.23858 15.5695 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 9.50322 6.31523 10.7358 16.7326 9.22232 14.4076 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 9.50322 6.31523 10.7358 10.2948 9.22661 15.1361 numMergedOcc 0
15 mol 133 unq 2 iso 0 dist 9.50322 6.31523 10.7358 11.6924 7.56378 15.869 numMergedOcc 0
16 mol 162 unq 0 iso 0 dist 8.25167 8.71322 7.61719 4.13881 6.45896 10.4474 numMergedOcc 0
17 mol 222 unq 0 iso 0 dist 9.55777 8.33743 8.6493 12.979 7.67576 10.8988 numMergedOcc 0
18 mol 222 unq 1 iso 0 dist 9.55777 8.33743 8.6493 4.05539 9.82371 5.77928 numMergedOcc 0
19 mol 249 unq 0 iso 0 dist 6.37672 5.68936 5.40456 4.20164 5.48118 6.72501 numMergedOcc 0
20 mol 251 unq 0 iso 0 dist 8.39644 9.29007 7.41935 4.01393 8.68707 12.2525 numMergedOcc 0
21 mol 292 unq 0 iso 0 dist 9.6898 9.23149 5.56576 7.31058 7.83341 9.80236 numMergedOcc 0
22 mol 292 unq 1 iso 0 dist 5.75596 9.61379 5.56576 8.07013 7.83341 9.80236 numMergedOcc 0
23 mol 292 unq 2 iso 0 dist 7.53641 8.25719 9.6563 8.46139 7.07965 8.22213 numMergedOcc 0
