0 mol 69 unq 0 iso 0 dist 7.17678 6.25587 5.75135 10.0903 12.8471 7.17133 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 9.04935 8.47393 7.06029 13.2324 6.05149 6.65972 numMergedOcc 0
2 mol 88 unq 0 iso 0 dist 5.59846 6.02019 8.56269 7.98124 3.8048 8.86094 numMergedOcc 0
3 mol 88 unq 1 iso 0 dist 5.59846 9.17488 9.40699 8.54948 5.53481 5.6516 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 8.52947 10.8428 5.10693 16.9421 8.97237 8.55758 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 8.52947 12.1443 6.58814 16.9421 8.97237 7.44027 numMergedOcc 0
6 mol 93 unq 2 iso 0 dist 8.84466 13.6305 5.10693 14.0704 8.97237 8.55758 numMergedOcc 0
7 mol 93 unq 3 iso 0 dist 8.84466 14.1431 6.58814 14.0704 8.97237 7.44027 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 9.31927 5.90666 9.18784 10.1077 5.65554 7.06763 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 9.86691 5.27905 4.82356 13.4646 8.75242 9.35049 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 5.59311 4.88335 8.22722 8.13344 13.3296 6.67937 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 5.7232 4.88335 8.52036 8.13344 6.49614 6.67937 numMergedOcc 0
12 mol 176 unq 0 iso 0 dist 9.84843 8.44347 9.09554 6.74185 12.5252 8.8756 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 7.45384 12.0957 9.14525 15.2241 9.9552 4.79423 numMergedOcc 0
14 mol 253 unq 0 iso 0 dist 7.02076 9.06758 8.71119 12.1961 9.53082 6.3093 numMergedOcc 0
15 mol 287 unq 0 iso 0 dist 7.90634 4.12505 6.16127 9.04355 5.66584 9.31611 numMergedOcc 0
16 mol 287 unq 1 iso 0 dist 7.90634 4.12505 6.16127 8.50508 5.27724 6.25845 numMergedOcc 0
17 mol 288 unq 0 iso 0 dist 7.90634 4.12505 6.16127 9.04355 5.66584 9.31611 numMergedOcc 0
18 mol 288 unq 1 iso 0 dist 7.90634 4.12505 6.16127 8.50508 5.27724 6.25845 numMergedOcc 0
19 mol 289 unq 0 iso 0 dist 7.90634 4.12505 6.16127 9.04355 5.66584 9.31611 numMergedOcc 0
20 mol 289 unq 1 iso 0 dist 7.90634 4.12505 6.16127 8.50508 5.27724 6.25845 numMergedOcc 0
