0 mol 24 unq 0 iso 0 dist 6.6219 5.68215 10.512 6.56748 9.73647 7.26334 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 5.68215 6.6219 10.512 6.56748 7.26334 9.73647 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.87744 7.27472 3.73215 6.38336 4.5711 4.44526 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 7.27472 8.87744 3.73215 6.38336 4.44526 4.5711 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 6.55597 7.07751 5.78812 5.77929 9.16515 9.82987 numMergedOcc 0
5 mol 25 unq 0 iso 1 dist 7.07751 6.55597 5.78812 5.77929 9.82987 9.16515 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 6.55597 9.49421 12.1732 5.77929 9.16515 6.53269 numMergedOcc 0
7 mol 25 unq 1 iso 1 dist 9.49421 6.55597 12.1732 5.77929 6.53269 9.16515 numMergedOcc 0
8 mol 25 unq 1 iso 0 dist 7.07751 9.49421 9.54872 5.77929 9.82987 6.53269 numMergedOcc 0
9 mol 25 unq 1 iso 1 dist 9.49421 7.07751 9.54872 5.77929 6.53269 9.82987 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 8.96727 8.01308 6.20884 5.49591 9.01564 7.11065 numMergedOcc 0
11 mol 58 unq 0 iso 1 dist 8.01308 8.96727 6.20884 5.49591 7.11065 9.01564 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 8.68662 7.4369 3.30399 6.56633 8.96616 6.14542 numMergedOcc 0
13 mol 73 unq 0 iso 1 dist 7.4369 8.68662 3.30399 6.56633 6.14542 8.96616 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 7.54889 5.2571 6.70343 9.85543 9.25444 9.84703 numMergedOcc 0
15 mol 98 unq 0 iso 1 dist 5.2571 7.54889 6.70343 9.85543 9.84703 9.25444 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 7.54889 5.2571 6.70343 9.67482 8.46823 4.62494 numMergedOcc 0
17 mol 98 unq 1 iso 1 dist 5.2571 7.54889 6.70343 9.67482 4.62494 8.46823 numMergedOcc 0
18 mol 98 unq 2 iso 0 dist 7.78931 8.7497 6.70343 7.28361 9.25444 9.84703 numMergedOcc 0
19 mol 98 unq 2 iso 1 dist 8.7497 7.78931 6.70343 7.28361 9.84703 9.25444 numMergedOcc 0
20 mol 98 unq 3 iso 0 dist 7.78931 8.7497 6.70343 12.0974 8.46823 4.62494 numMergedOcc 0
21 mol 98 unq 3 iso 1 dist 8.7497 7.78931 6.70343 12.0974 4.62494 8.46823 numMergedOcc 0
22 mol 100 unq 0 iso 0 dist 9.90751 9.21662 6.25463 6.12107 7.81446 6.55173 numMergedOcc 0
23 mol 100 unq 0 iso 1 dist 9.21662 9.90751 6.25463 6.12107 6.55173 7.81446 numMergedOcc 0
24 mol 112 unq 0 iso 0 dist 9.05166 5.56994 5.11 5.76986 8.72725 6.11407 numMergedOcc 0
25 mol 112 unq 0 iso 1 dist 5.56994 9.05166 5.11 5.76986 6.11407 8.72725 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 6.64173 9.55105 10.1041 5.63555 8.12266 9.43306 numMergedOcc 0
27 mol 181 unq 0 iso 1 dist 9.55105 6.64173 10.1041 5.63555 9.43306 8.12266 numMergedOcc 0
28 mol 181 unq 1 iso 0 dist 9.01624 9.55105 3.55187 7.20191 5.99437 8.4848 numMergedOcc 0
29 mol 181 unq 1 iso 1 dist 9.55105 9.01624 3.55187 7.20191 8.4848 5.99437 numMergedOcc 0
30 mol 222 unq 0 iso 0 dist 5.56538 7.48954 3.58181 7.75656 8.43195 8.23406 numMergedOcc 0
31 mol 222 unq 0 iso 1 dist 7.48954 5.56538 3.58181 7.75656 8.23406 8.43195 numMergedOcc 0
32 mol 274 unq 0 iso 0 dist 9.30212 6.4611 13.5848 9.5468 7.77765 9.65868 numMergedOcc 0
33 mol 274 unq 0 iso 1 dist 6.4611 9.30212 13.5848 9.5468 9.65868 7.77765 numMergedOcc 0
