0 mol 43 unq 0 iso 0 dist 8.21247 6.57978 5.14161 5.39546 6.6263 7.39848 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.21247 6.57978 5.14161 12.2906 6.75943 11.4251 numMergedOcc 0
2 mol 114 unq 0 iso 0 dist 8.40389 5.87382 9.54913 5.0333 5.7144 9.20432 numMergedOcc 0
3 mol 168 unq 0 iso 0 dist 5.51167 5.64732 9.99868 10.9775 6.02086 15.6838 numMergedOcc 0
4 mol 168 unq 1 iso 0 dist 5.51167 5.52214 6.91388 10.9775 6.02086 11.0423 numMergedOcc 0
5 mol 168 unq 2 iso 0 dist 5.51167 5.80055 3.5168 10.9775 6.02086 8.92592 numMergedOcc 0
6 mol 168 unq 3 iso 0 dist 5.51167 7.44481 5.43054 10.9775 6.02086 9.57452 numMergedOcc 0
7 mol 186 unq 0 iso 0 dist 8.09915 8.92335 12.7357 5.25279 9.3498 12.2312 numMergedOcc 0
8 mol 186 unq 1 iso 0 dist 8.09915 8.92335 12.7357 9.29114 7.05695 13.211 numMergedOcc 0
9 mol 186 unq 2 iso 0 dist 6.84679 8.35588 3.11607 5.5366 7.2793 10.0218 numMergedOcc 0
10 mol 198 unq 0 iso 0 dist 9.40433 7.95437 3.70259 9.33462 9.31526 9.7657 numMergedOcc 0
11 mol 205 unq 0 iso 0 dist 9.79826 9.21286 15.4119 14.1866 7.21137 16.7184 numMergedOcc 0
12 mol 205 unq 1 iso 0 dist 9.79826 9.21286 15.4119 13.0749 8.4844 20.4235 numMergedOcc 0
13 mol 218 unq 0 iso 0 dist 9.65132 8.96442 13.5381 7.34507 8.75536 11.8692 numMergedOcc 0
14 mol 218 unq 1 iso 0 dist 9.65132 8.96442 13.5381 4.79566 7.33709 7.84952 numMergedOcc 0
15 mol 218 unq 2 iso 0 dist 9.65132 8.96442 13.5381 4.68974 6.67404 12.5146 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 8.69052 6.35772 5.31124 10.3976 8.14831 11.8942 numMergedOcc 0
17 mol 251 unq 0 iso 0 dist 9.65275 7.90148 3.45567 10.1306 9.82601 10.1874 numMergedOcc 0
18 mol 251 unq 1 iso 0 dist 9.65275 7.90148 3.45567 10.2078 6.50357 8.45764 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 7.82167 6.37248 5.33188 4.81126 9.5785 5.41432 numMergedOcc 0
20 mol 292 unq 1 iso 0 dist 9.01438 6.37248 8.5186 4.81126 9.76319 5.41432 numMergedOcc 0
