0 mol 8 unq 0 iso 0 dist 8.3997 10.9871 7.12263 6.65707 8.77457 7.35217 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.3997 8.2127 5.00267 6.65707 8.77457 11.1833 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 7.51584 9.75319 5.55437 10.8146 8.076 7.28672 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 7.88249 10.6795 5.38458 10.433 9.3523 5.93982 numMergedOcc 0
4 mol 10 unq 0 iso 0 dist 9.61212 4.20701 8.13471 4.99694 8.00369 7.50126 numMergedOcc 0
5 mol 13 unq 0 iso 0 dist 8.81649 11.149 9.10587 15.4372 7.98679 15.0583 numMergedOcc 0
6 mol 28 unq 0 iso 0 dist 8.32784 9.43898 9.72965 8.56657 7.40415 12.67 numMergedOcc 0
7 mol 28 unq 1 iso 0 dist 8.32784 5.6204 5.63315 8.56657 7.40415 7.00226 numMergedOcc 0
8 mol 28 unq 2 iso 0 dist 8.32784 5.90967 9.8465 8.56657 7.40415 5.93722 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 8.12456 14.4004 7.63183 10.1557 6.62972 9.50457 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 9.69257 12.831 8.03035 7.03042 8.8562 6.96805 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 9.69257 12.831 8.03035 10.0127 7.91683 13.3975 numMergedOcc 0
12 mol 119 unq 2 iso 0 dist 9.69257 5.57116 7.6968 7.03042 8.8562 4.86811 numMergedOcc 0
13 mol 119 unq 3 iso 0 dist 9.69257 5.57116 7.6968 10.0127 7.91683 8.00229 numMergedOcc 0
14 mol 154 unq 0 iso 0 dist 9.79706 8.97556 9.71408 12.5387 6.51014 9.78297 numMergedOcc 0
15 mol 154 unq 1 iso 0 dist 9.31487 11.5706 9.71408 7.22175 6.51014 9.78297 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 5.40513 9.78929 6.53728 9.71118 9.23935 14.3973 numMergedOcc 0
17 mol 225 unq 1 iso 0 dist 5.40513 9.78929 6.53728 7.00757 7.77552 13.923 numMergedOcc 0
18 mol 237 unq 0 iso 0 dist 6.68833 10.7147 7.63812 5.76833 6.07878 11.0622 numMergedOcc 0
19 mol 237 unq 1 iso 0 dist 6.68833 10.7147 7.63812 9.96763 7.80422 9.12884 numMergedOcc 0
20 mol 237 unq 2 iso 0 dist 6.68833 10.7147 7.63812 10.9723 5.06628 6.26206 numMergedOcc 0
21 mol 237 unq 3 iso 0 dist 6.68833 13.2283 8.51129 5.76833 6.07878 10.1757 numMergedOcc 0
22 mol 237 unq 4 iso 0 dist 6.68833 13.2283 8.51129 9.96763 7.80422 5.77883 numMergedOcc 0
23 mol 237 unq 5 iso 0 dist 6.68833 13.2283 8.51129 10.9723 5.06628 3.97854 numMergedOcc 0
24 mol 264 unq 0 iso 0 dist 6.74637 6.49604 5.74568 10.8008 7.21655 11.5512 numMergedOcc 0
