0 mol 12 unq 0 iso 0 dist 5.86346 6.16894 9.99955 10.5042 10.8817 8.17618 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 6.68599 11.5528 6.42931 14.0477 8.85978 4.68793 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.34433 10.5808 6.76674 15.0477 5.90331 9.05728 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 5.63207 7.27221 6.76674 6.35333 5.90331 9.05728 numMergedOcc 0
4 mol 134 unq 0 iso 0 dist 6.7402 11.831 8.84695 8.84656 8.44345 5.67862 numMergedOcc 0
5 mol 134 unq 1 iso 0 dist 6.7402 11.831 8.84695 4.9155 7.46245 7.97208 numMergedOcc 0
6 mol 143 unq 0 iso 0 dist 8.80779 4.82452 7.78154 7.73769 7.64386 5.30872 numMergedOcc 0
7 mol 168 unq 0 iso 0 dist 9.5214 14.0554 9.95547 17.6555 9.45588 8.8573 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 9.35708 16.2797 7.29651 20.8485 12.5982 7.45401 numMergedOcc 0
9 mol 186 unq 1 iso 0 dist 8.40313 6.46011 5.65146 11.4689 5.47219 6.99623 numMergedOcc 0
10 mol 206 unq 0 iso 0 dist 7.53036 5.67721 5.03283 11.1137 6.28828 9.89167 numMergedOcc 0
11 mol 217 unq 0 iso 0 dist 5.98787 9.14625 9.94746 10.2372 6.92624 9.90668 numMergedOcc 0
12 mol 252 unq 0 iso 0 dist 9.4344 12.7414 5.75279 16.4363 7.02935 6.6321 numMergedOcc 0
13 mol 252 unq 1 iso 0 dist 5.41885 8.06449 5.75279 11.6161 7.02935 6.6321 numMergedOcc 0
