0 mol 78 unq 0 iso 0 dist 7.80757 8.73 9.99029 8.07529 6.85523 14.4224 numMergedOcc 0
1 mol 78 unq 1 iso 0 dist 7.80757 8.73 9.99029 12.9164 5.77326 14.5688 numMergedOcc 0
2 mol 78 unq 2 iso 0 dist 9.2835 11.9616 9.99029 14.1127 6.85523 14.4224 numMergedOcc 0
3 mol 78 unq 3 iso 0 dist 9.2835 11.9616 9.99029 7.94748 5.77326 14.5688 numMergedOcc 0
4 mol 78 unq 4 iso 0 dist 5.02591 8.07212 9.99029 10.5433 6.85523 14.4224 numMergedOcc 0
5 mol 78 unq 5 iso 0 dist 5.02591 8.07212 9.99029 7.00354 5.77326 14.5688 numMergedOcc 0
6 mol 108 unq 0 iso 0 dist 5.95326 6.46636 6.11003 5.74618 9.72024 6.0318 numMergedOcc 0
7 mol 132 unq 0 iso 0 dist 9.0339 14.2364 6.2403 3.48657 6.89918 11.6543 numMergedOcc 0
8 mol 132 unq 1 iso 0 dist 9.0339 8.84157 6.495 3.48657 6.89918 7.05332 numMergedOcc 0
9 mol 132 unq 2 iso 0 dist 8.48641 14.2364 8.34869 3.48657 7.89457 11.6543 numMergedOcc 0
10 mol 132 unq 3 iso 0 dist 8.48641 8.84157 9.43748 3.48657 7.89457 7.05332 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 8.72463 12.8171 7.5984 7.21648 7.36975 14.6282 numMergedOcc 0
12 mol 143 unq 1 iso 0 dist 8.72463 12.8171 7.5984 9.42107 5.40637 7.11802 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 7.92766 3.96829 7.7292 6.6094 7.9133 5.99091 numMergedOcc 0
14 mol 204 unq 1 iso 0 dist 6.32652 3.96829 6.27396 6.5797 5.94972 5.22975 numMergedOcc 0
15 mol 214 unq 0 iso 0 dist 6.83122 16.1937 9.40003 12.8946 7.46481 7.66602 numMergedOcc 0
16 mol 214 unq 1 iso 0 dist 6.83122 4.16332 8.68385 12.8946 7.46481 15.5553 numMergedOcc 0
17 mol 217 unq 0 iso 0 dist 9.55587 8.23649 5.10683 8.82273 7.60269 5.27109 numMergedOcc 0
18 mol 217 unq 1 iso 0 dist 9.38111 7.25518 5.10683 5.5145 7.60269 5.27109 numMergedOcc 0
19 mol 217 unq 2 iso 0 dist 8.28941 6.94126 5.10683 10.7302 7.60269 5.27109 numMergedOcc 0
20 mol 250 unq 0 iso 0 dist 6.18342 7.09073 8.21206 4.21309 6.59244 5.16962 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 6.49599 6.96133 6.96379 9.41512 9.46361 8.41608 numMergedOcc 0
22 mol 284 unq 0 iso 0 dist 7.18433 11.764 7.34344 5.775 5.83329 12.1528 numMergedOcc 0
