0 mol 1 unq 0 iso 0 dist 8.40848 12.7979 7.94669 9.02078 6.4181 8.34833 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 6.91627 5.77108 4.62913 6.7002 7.8865 6.98179 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 6.91627 8.27891 7.44542 6.7002 7.8865 6.9065 numMergedOcc 0
3 mol 38 unq 0 iso 0 dist 9.49676 5.39032 7.96306 6.12182 5.73067 7.46414 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 8.65313 5.18597 6.71467 8.19638 9.22002 10.8063 numMergedOcc 0
5 mol 61 unq 1 iso 0 dist 8.65313 5.18597 6.71467 7.43426 7.52103 6.66385 numMergedOcc 0
6 mol 67 unq 0 iso 0 dist 5.16558 10.3712 8.34804 6.27668 9.46247 11 numMergedOcc 0
7 mol 69 unq 0 iso 0 dist 7.17678 5.85799 5.69055 5.08122 5.47319 7.76775 numMergedOcc 0
8 mol 69 unq 1 iso 0 dist 7.17678 5.85799 5.69055 9.69519 9.8809 13.1847 numMergedOcc 0
9 mol 103 unq 0 iso 0 dist 6.79564 9.73999 6.36357 6.2092 4.99966 5.54757 numMergedOcc 0
10 mol 176 unq 0 iso 0 dist 8.11904 5.53533 6.9705 10.6861 9.66407 5.17719 numMergedOcc 0
11 mol 185 unq 0 iso 0 dist 6.06763 5.30867 8.2968 12.6996 9.878 10.3307 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 9.86936 4.95809 8.65468 10.0276 7.16386 9.18673 numMergedOcc 0
13 mol 236 unq 0 iso 0 dist 4.43243 11.7831 8.20542 5.03598 5.66569 10.2557 numMergedOcc 0
14 mol 236 unq 1 iso 0 dist 5.92025 8.73194 5.6568 5.03598 6.11137 6.49831 numMergedOcc 0
15 mol 236 unq 2 iso 0 dist 5.92025 8.73194 5.6568 5.6375 7.89744 6.81625 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 9.61428 4.63444 9.29888 5.77573 9.13537 9.76195 numMergedOcc 0
17 mol 241 unq 0 iso 0 dist 7.79013 14.6126 8.96917 10.2076 9.10633 8.4988 numMergedOcc 0
18 mol 241 unq 1 iso 0 dist 9.33399 6.51459 8.96917 10.1832 9.10633 8.4988 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 8.62592 4.69752 9.52903 6.60345 5.73834 9.78068 numMergedOcc 0
20 mol 265 unq 0 iso 0 dist 9.83854 10.0903 9.81689 15.3375 7.04833 10.4495 numMergedOcc 0
21 mol 271 unq 0 iso 0 dist 8.74168 8.43547 9.80493 4.75339 9.56149 9.63302 numMergedOcc 0
22 mol 271 unq 1 iso 0 dist 8.74168 8.33152 6.75395 4.75339 9.56149 7.30308 numMergedOcc 0
23 mol 274 unq 0 iso 0 dist 9.96682 7.77559 6.28023 13.2905 9.09967 5.7574 numMergedOcc 0
24 mol 274 unq 1 iso 0 dist 9.96682 7.77559 6.28023 4.68199 8.49076 7.23876 numMergedOcc 0
