0 mol 61 unq 0 iso 0 dist 9.00513 8.50057 9.67403 9.86253 4.90701 9.62468 numMergedOcc 0
1 mol 61 unq 1 iso 0 dist 8.64665 4.57882 9.67403 9.52183 4.90701 9.62468 numMergedOcc 0
2 mol 61 unq 2 iso 0 dist 9.42869 4.57882 7.28917 9.52183 16.7918 9.62468 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 5.16558 5.23343 6.23298 13.8811 11.8103 9.9348 numMergedOcc 0
4 mol 67 unq 1 iso 0 dist 9.62459 5.23343 9.85405 13.8811 10.4042 9.9348 numMergedOcc 0
5 mol 108 unq 0 iso 0 dist 8.69068 6.97518 5.52402 5.45787 4.93762 7.29462 numMergedOcc 0
6 mol 108 unq 1 iso 0 dist 8.69068 4.62224 7.57593 5.45787 4.93762 5.4057 numMergedOcc 0
7 mol 108 unq 2 iso 0 dist 8.89997 5.53449 6.79804 12.0742 12.0414 7.29462 numMergedOcc 0
8 mol 110 unq 0 iso 0 dist 5.36955 4.65265 5.43052 10.7438 9.24029 7.21229 numMergedOcc 0
9 mol 110 unq 1 iso 0 dist 5.36955 4.65265 5.43052 9.83039 8.50777 5.25492 numMergedOcc 0
10 mol 120 unq 0 iso 0 dist 9.31927 4.23705 9.12964 9.96969 5.91353 8.91606 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 9.86691 5.48547 6.85651 9.05674 4.84607 8.84018 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 5.59311 7.75644 9.21256 9.73536 13.46 6.11955 numMergedOcc 0
13 mol 133 unq 2 iso 0 dist 9.22456 7.75644 8.3243 9.73536 13.7612 6.11955 numMergedOcc 0
14 mol 133 unq 3 iso 0 dist 5.7232 7.75644 6.23615 9.73536 4.64588 6.11955 numMergedOcc 0
15 mol 147 unq 0 iso 0 dist 6.28769 5.54447 6.00651 13.3368 10.4619 9.84695 numMergedOcc 0
16 mol 147 unq 1 iso 0 dist 6.28769 5.54447 6.00651 10.4679 6.91778 9.18866 numMergedOcc 0
17 mol 183 unq 0 iso 0 dist 8.53483 18.0876 9.92635 17.9523 10.0008 7.31181 numMergedOcc 0
18 mol 183 unq 1 iso 0 dist 8.58404 13.2035 9.92635 17.0649 10.0008 7.31181 numMergedOcc 0
19 mol 183 unq 2 iso 0 dist 8.1126 13.2035 7.85507 17.0649 9.95614 7.31181 numMergedOcc 0
20 mol 197 unq 0 iso 0 dist 8.61953 4.31461 6.50727 12.2382 4.83116 9.5331 numMergedOcc 0
21 mol 197 unq 1 iso 0 dist 7.91999 4.31461 7.84826 12.2382 10.1332 9.5331 numMergedOcc 0
22 mol 234 unq 0 iso 0 dist 7.09776 4.12545 4.90407 9.09043 5.44171 5.00515 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 8.62592 12.3393 9.4886 17.3632 11.9201 5.81927 numMergedOcc 0
24 mol 258 unq 1 iso 0 dist 8.62592 12.3393 9.4886 14.862 8.27707 6.09782 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 8.93002 4.98212 5.98006 5.29682 6.64729 6.77279 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 8.93002 4.98212 5.98006 6.20344 9.79538 9.58006 numMergedOcc 0
27 mol 265 unq 0 iso 0 dist 9.83854 12.5955 6.98812 7.45719 5.58514 9.59213 numMergedOcc 0
28 mol 294 unq 0 iso 0 dist 8.88961 7.11058 5.27236 12.0075 5.57606 6.47832 numMergedOcc 0
