0 mol 19 unq 0 iso 0 dist 9.65404 9.69454 6.92576 4.20374 8.41365 7.48847 numMergedOcc 0
1 mol 98 unq 0 iso 0 dist 7.59354 6.67936 9.94628 6.4628 10.8121 5.88354 numMergedOcc 0
2 mol 98 unq 1 iso 0 dist 7.59354 8.25817 7.53156 6.4628 10.8121 5.74854 numMergedOcc 0
3 mol 98 unq 2 iso 0 dist 6.87293 7.38759 6.89206 7.44829 11.0358 7.32289 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 9.0224 9.74643 15.1709 10.6546 18.4332 8.89913 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 8.09095 9.93703 11.2951 11.1498 16.1931 6.98934 numMergedOcc 0
6 mol 119 unq 1 iso 0 dist 8.09095 9.93703 11.2951 7.09096 13.5527 7.99623 numMergedOcc 0
7 mol 119 unq 2 iso 0 dist 9.95698 9.42766 7.09701 16.5854 15.0277 8.56342 numMergedOcc 0
8 mol 119 unq 3 iso 0 dist 9.95698 9.42766 7.09701 9.58167 12.7506 6.37542 numMergedOcc 0
9 mol 152 unq 0 iso 0 dist 9.8492 8.89982 10.035 10.4193 16.9337 9.77552 numMergedOcc 0
10 mol 178 unq 0 iso 0 dist 7.69328 8.0974 15.6558 5.49143 12.5912 4.92088 numMergedOcc 0
11 mol 207 unq 0 iso 0 dist 9.09845 5.08312 9.64674 7.39702 16.1815 8.85547 numMergedOcc 0
12 mol 207 unq 1 iso 0 dist 9.09845 5.08312 9.64674 9.2787 17.2262 7.96797 numMergedOcc 0
13 mol 207 unq 2 iso 0 dist 9.50021 5.08312 10.9115 7.39702 16.748 8.85547 numMergedOcc 0
14 mol 207 unq 3 iso 0 dist 9.50021 5.08312 10.9115 9.2787 17.5768 7.96797 numMergedOcc 0
15 mol 214 unq 0 iso 0 dist 9.03521 8.49704 13.0236 5.20422 11.6436 6.38157 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 9.58724 7.31105 4.90657 12.6425 6.50846 5.45036 numMergedOcc 0
17 mol 220 unq 1 iso 0 dist 9.58724 7.31105 4.90657 12.3625 14.8113 9.97586 numMergedOcc 0
18 mol 234 unq 0 iso 0 dist 6.41452 5.00515 4.93539 10.3269 13.3223 9.007 numMergedOcc 0
19 mol 257 unq 0 iso 0 dist 6.75578 5.36776 5.86413 10.6191 13.6304 9.95546 numMergedOcc 0
20 mol 271 unq 0 iso 0 dist 7.84542 7.2671 5.72209 6.71156 9.62803 9.63775 numMergedOcc 0
