0 mol 20 unq 0 iso 0 dist 7.51452 6.03547 6.92904 7.79943 6.19906 11.2422 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 6.09764 9.20198 6.05053 12.0619 6.29711 6.19906 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 9.20198 6.09764 6.05053 12.0619 6.19906 6.29711 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 6.36086 7.26024 6.00618 13.5622 8.9303 14.513 numMergedOcc 0
4 mol 68 unq 1 iso 0 dist 6.36086 7.26024 6.00618 12.8986 8.14654 13.9764 numMergedOcc 0
5 mol 68 unq 2 iso 0 dist 6.36086 7.26024 6.00618 3.78133 7.16347 10.3701 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 8.30845 8.76378 13.3504 12.2171 8.4705 18.6717 numMergedOcc 0
7 mol 108 unq 0 iso 0 dist 9.01852 9.75958 8.93829 14.7158 7.3542 14.2439 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 6.52773 9.23858 12.3703 6.42493 7.84768 15.5695 numMergedOcc 0
9 mol 148 unq 0 iso 0 dist 9.91993 6.22055 4.32771 6.55924 9.87021 7.34023 numMergedOcc 0
10 mol 148 unq 1 iso 0 dist 9.99156 8.18085 4.32771 11.3247 9.87021 7.34023 numMergedOcc 0
11 mol 148 unq 2 iso 0 dist 6.22055 9.91993 4.32771 6.55924 7.34023 9.87021 numMergedOcc 0
12 mol 148 unq 3 iso 0 dist 8.18085 9.99156 4.32771 11.3247 7.34023 9.87021 numMergedOcc 0
13 mol 150 unq 0 iso 0 dist 9.96691 6.14675 4.39943 6.62435 9.96938 7.35268 numMergedOcc 0
14 mol 150 unq 1 iso 0 dist 9.96691 9.24244 5.93611 6.62435 9.96938 11.1425 numMergedOcc 0
15 mol 150 unq 2 iso 0 dist 9.8656 7.94889 4.39943 11.3177 9.96938 7.35268 numMergedOcc 0
16 mol 150 unq 3 iso 0 dist 6.14675 9.96691 4.39943 6.62435 7.35268 9.96938 numMergedOcc 0
17 mol 150 unq 4 iso 0 dist 6.14675 9.24244 4.30207 6.62435 7.35268 11.1425 numMergedOcc 0
18 mol 150 unq 5 iso 0 dist 7.94889 9.8656 4.39943 11.3177 7.35268 9.96938 numMergedOcc 0
19 mol 171 unq 0 iso 0 dist 5.93786 8.1344 3.98338 8.62666 6.73995 9.84348 numMergedOcc 0
20 mol 171 unq 1 iso 0 dist 5.93786 8.1344 3.98338 12.3741 8.619 11.7943 numMergedOcc 0
21 mol 171 unq 2 iso 0 dist 8.24693 6.71356 3.98338 11.8746 6.73995 9.84348 numMergedOcc 0
22 mol 171 unq 3 iso 0 dist 8.24693 6.71356 3.98338 16.3566 8.619 11.7943 numMergedOcc 0
23 mol 197 unq 0 iso 0 dist 6.92924 7.50013 9.20574 4.91336 8.43104 12.2471 numMergedOcc 0
24 mol 197 unq 1 iso 0 dist 6.92924 5.81233 11.2132 4.91336 8.43104 10.3022 numMergedOcc 0
25 mol 197 unq 2 iso 0 dist 6.92924 7.14306 8.81358 4.91336 8.43104 9.13452 numMergedOcc 0
26 mol 197 unq 3 iso 0 dist 7.14306 7.50013 10.8407 4.91336 9.13452 12.2471 numMergedOcc 0
27 mol 197 unq 4 iso 0 dist 7.14306 5.81233 9.56047 4.91336 9.13452 10.3022 numMergedOcc 0
28 mol 197 unq 5 iso 0 dist 7.14306 6.92924 8.81358 4.91336 9.13452 8.43104 numMergedOcc 0
29 mol 222 unq 0 iso 0 dist 9.82371 7.67576 11.3283 8.6493 5.77928 10.8988 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 6.39866 9.45514 10.7637 11.2327 9.71673 19.3596 numMergedOcc 0
