0 mol 45 unq 0 iso 0 dist 8.66843 5.68664 9.17045 4.46825 8.55903 8.61828 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 8.34361 13.2619 6.54183 2.97898 9.63616 15.3154 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 9.62336 10.1382 7.62791 18.0168 9.13024 10.8149 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 6.04611 7.85236 8.53393 7.21901 6.50622 7.12219 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 6.04611 7.85236 8.53393 5.83035 4.45433 4.85618 numMergedOcc 0
5 mol 78 unq 2 iso 0 dist 6.04611 9.299 5.57265 7.21901 6.50622 5.34874 numMergedOcc 0
6 mol 78 unq 3 iso 0 dist 6.04611 9.299 5.57265 5.83035 4.45433 3.68023 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 8.04448 8.91618 6.78839 9.39313 5.24616 9.53244 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 8.04448 14.8024 8.02354 9.39313 5.24616 6.54016 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 8.85708 4.60144 8.81172 13.3692 8.16392 11.1642 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 8.53875 12.0003 7.97349 12.4943 7.43045 6.68984 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 8.53875 12.0003 7.97349 6 7.74168 6.85035 numMergedOcc 0
12 mol 141 unq 2 iso 0 dist 8.53875 12.0003 7.97349 8.90391 8.16507 4.21243 numMergedOcc 0
13 mol 172 unq 0 iso 0 dist 8.2809 8.26604 9.54849 8.78717 7.3485 4.44923 numMergedOcc 0
14 mol 172 unq 1 iso 0 dist 8.2809 4.70355 5.5139 8.78717 7.3485 4.52195 numMergedOcc 0
15 mol 185 unq 0 iso 0 dist 7.18997 6.98598 9.87065 3.82689 7.35584 10.3965 numMergedOcc 0
16 mol 212 unq 0 iso 0 dist 8.85976 14.7053 9.47932 6.22585 9.20546 10.8008 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 7.32196 3.59583 7.20244 4.71803 5.90826 4.7547 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 9.87224 9.86326 6.83046 13.7613 7.99963 4.32238 numMergedOcc 0
19 mol 241 unq 0 iso 0 dist 7.30582 11.3529 8.98668 8.48642 9.87415 17.6924 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 9.80725 12.7699 8.57619 4.21541 9.31843 9.53031 numMergedOcc 0
21 mol 265 unq 0 iso 0 dist 8.70514 4.39816 8.57445 8.80592 7.7096 5.46481 numMergedOcc 0
22 mol 265 unq 1 iso 0 dist 8.6462 7.73011 8.57445 11.7178 7.7096 5.46481 numMergedOcc 0
