0 mol 36 unq 0 iso 0 dist 5.85008 7.38433 7.28636 5.71189 9.54644 8.88147 numMergedOcc 0
1 mol 36 unq 1 iso 0 dist 9.54644 8.88147 7.28636 5.71189 5.85008 7.38433 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 7.89712 8.13585 6.7264 5.55889 6.96052 9.84064 numMergedOcc 0
3 mol 44 unq 1 iso 0 dist 7.89712 8.44721 3.52732 5.55889 6.96052 5.31062 numMergedOcc 0
4 mol 44 unq 2 iso 0 dist 6.96052 9.84064 6.7264 5.55889 7.89712 8.13585 numMergedOcc 0
5 mol 44 unq 3 iso 0 dist 6.96052 5.31062 3.52732 5.55889 7.89712 8.44721 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 9.32172 6.88471 3.84261 10.2326 11.114 7.74797 numMergedOcc 0
7 mol 78 unq 1 iso 0 dist 9.32172 6.88471 3.84261 5.45378 8.93486 8.19547 numMergedOcc 0
8 mol 78 unq 2 iso 0 dist 8.93486 8.19547 3.84261 5.45378 9.32172 6.88471 numMergedOcc 0
9 mol 78 unq 3 iso 0 dist 8.93486 8.19547 3.84261 12.223 11.114 7.74797 numMergedOcc 0
10 mol 91 unq 0 iso 0 dist 9.19143 5.73003 6.21391 7.06119 9.23907 5.21227 numMergedOcc 0
11 mol 91 unq 1 iso 0 dist 9.23907 5.21227 6.21391 7.06119 9.19143 5.73003 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 9.90038 9.74416 9.05059 5.0211 13.1712 9.64454 numMergedOcc 0
13 mol 123 unq 0 iso 0 dist 9.22679 6.82663 4.6864 3.65652 10.0655 8.57379 numMergedOcc 0
14 mol 283 unq 0 iso 0 dist 9.24924 5.34771 8.40497 4.80485 9.72248 9.40332 numMergedOcc 0
15 mol 283 unq 1 iso 0 dist 9.24924 9.2825 8.03948 4.80485 9.72248 5.8676 numMergedOcc 0
16 mol 283 unq 2 iso 0 dist 9.72248 9.40332 8.40497 4.80485 9.24924 5.34771 numMergedOcc 0
17 mol 283 unq 3 iso 0 dist 9.72248 5.8676 8.03948 4.80485 9.24924 9.2825 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 7.80478 7.86603 6.80232 12.8716 13.8513 7.17626 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 7.80478 7.86603 6.80232 12.8716 13.8513 7.17626 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 7.80478 7.86603 6.80232 12.8716 13.8513 7.17626 numMergedOcc 0
