0 mol 26 unq 0 iso 0 dist 8.01238 16.9951 9.5053 10.8391 4.29919 9.46609 17.1042 10.9837 8.44506 13.1626 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 8.23534 7.28582 6.66954 10.3887 5.26304 9.28282 7.63534 4.3931 4.79949 4.57694 numMergedOcc 0
2 mol 93 unq 0 iso 0 dist 7.29701 3.74136 7.62611 8.84466 15.595 8.42713 10.4641 4.4022 9.81831 17.674 numMergedOcc 0
3 mol 93 unq 1 iso 0 dist 7.29701 3.74136 7.62611 8.84466 15.595 8.42713 11.1217 8.96224 9.12858 15.232 numMergedOcc 0
4 mol 93 unq 2 iso 0 dist 7.29701 3.74136 7.62611 8.84466 15.595 8.42713 9.10877 10.3849 9.4523 12.5871 numMergedOcc 0
5 mol 93 unq 3 iso 0 dist 7.29701 3.74136 7.62611 9.2948 4.38413 8.21032 10.4641 4.4022 9.81831 6.25741 numMergedOcc 0
6 mol 93 unq 4 iso 0 dist 7.29701 3.74136 7.62611 9.2948 4.38413 8.21032 11.1217 8.96224 9.12858 10.0172 numMergedOcc 0
7 mol 93 unq 5 iso 0 dist 7.29701 3.74136 7.62611 9.2948 4.38413 8.21032 9.10877 10.3849 9.4523 13.6269 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 8.19198 5.25155 6.03352 12.7399 6.71699 9.27951 13.8792 8.2619 8.93905 5.89379 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 8.65287 4.91324 6.95405 8.87505 11.0466 6.62468 13.0881 6.75397 9.28592 13.474 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 8.9967 5.82527 5.56627 7.03774 3.98821 5.33314 12.1672 7.7567 8.86329 11.1522 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 8.9967 5.82527 5.56627 7.03774 3.98821 5.33314 13.952 8.23791 8.71039 11.4573 numMergedOcc 0
12 mol 147 unq 0 iso 0 dist 6.6094 5.78019 7.25644 5.70772 10.7246 6.4752 10.823 11.1681 5.49226 8.95179 numMergedOcc 0
13 mol 147 unq 1 iso 0 dist 6.6094 5.78019 7.25644 5.70772 10.7246 6.4752 9.23551 5.50251 6.28351 10.5583 numMergedOcc 0
14 mol 147 unq 2 iso 0 dist 9.70579 7.70253 7.25644 13.0305 10.7246 6.4752 11.5623 11.1681 5.49226 8.95179 numMergedOcc 0
15 mol 147 unq 3 iso 0 dist 9.70579 7.70253 7.25644 13.0305 10.7246 6.4752 11.0807 5.50251 6.28351 10.5583 numMergedOcc 0
16 mol 147 unq 4 iso 0 dist 8.514 9.29701 7.25644 10.0126 10.7246 6.4752 14.7633 11.1681 5.49226 8.95179 numMergedOcc 0
17 mol 147 unq 5 iso 0 dist 8.514 9.29701 7.25644 10.0126 10.7246 6.4752 12.6921 5.50251 6.28351 10.5583 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 8.70622 11.1891 5.60528 13.8673 5.96987 9.12296 13.9833 6.77832 7.35824 4.27736 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 9.61914 5.79235 5.0804 12.0903 4.13135 8.81373 12.7988 5.05321 8.67805 6.06308 numMergedOcc 0
20 mol 264 unq 0 iso 0 dist 8.68638 5.50333 7.21655 9.7641 14.7332 8.28871 10.5026 6.26382 6.04162 11.5671 numMergedOcc 0
21 mol 264 unq 1 iso 0 dist 8.68638 5.50333 7.21655 9.7641 14.7332 8.28871 10.25 5.24812 6.14323 13.8765 numMergedOcc 0
22 mol 264 unq 2 iso 0 dist 8.68638 5.50333 7.21655 13.4086 10.3515 7.94668 10.5026 6.26382 6.04162 5.21164 numMergedOcc 0
23 mol 264 unq 3 iso 0 dist 8.68638 5.50333 7.21655 13.4086 10.3515 7.94668 10.25 5.24812 6.14323 6.12009 numMergedOcc 0
