0 mol 26 unq 0 iso 0 dist 6.98837 7.89222 5.63833 10.7484 9.17684 6.93197 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 6.25761 9.53735 10.4631 12.3478 13.689 7.35861 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 9.02604 9.53735 4.77336 12.3478 11.2961 7.35861 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 7.34695 5.0478 5.01159 6.85941 13.2094 9.17082 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 7.18661 8.99674 8.07487 12.4705 15.3154 8.66165 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 8.37011 6.73172 5.42112 12.4858 12.7631 7.80873 numMergedOcc 0
6 mol 125 unq 0 iso 0 dist 9.99265 8.6317 14.6801 6.24872 15.2975 6.11502 numMergedOcc 0
7 mol 125 unq 1 iso 0 dist 9.99265 8.6317 14.6801 10.4668 18.7105 6.33431 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 5.77703 9.45931 13.1683 7.98447 13.5175 6.75376 numMergedOcc 0
9 mol 141 unq 1 iso 0 dist 5.77703 6.35397 9.00056 7.98447 13.5175 9.10042 numMergedOcc 0
10 mol 141 unq 2 iso 0 dist 5.77703 6.35397 9.00056 8.12085 13.8137 9.75059 numMergedOcc 0
11 mol 141 unq 3 iso 0 dist 5.77703 6.35397 9.00056 10.1812 12.3922 6.83404 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 4.65525 6.97467 5.66705 14.0762 12.456 8.21184 numMergedOcc 0
13 mol 156 unq 1 iso 0 dist 4.65525 6.97467 5.66705 12.9439 10.6198 5.9976 numMergedOcc 0
14 mol 156 unq 2 iso 0 dist 6.32577 6.97467 5.80433 14.0762 8.95593 8.21184 numMergedOcc 0
15 mol 156 unq 3 iso 0 dist 6.32577 6.97467 5.80433 12.9439 10.4298 5.9976 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 6.50055 5.6688 5.71112 4.75774 10.658 7.22883 numMergedOcc 0
17 mol 184 unq 0 iso 0 dist 6.66619 5.11863 4.84884 6.2568 6.65725 7.54099 numMergedOcc 0
18 mol 247 unq 0 iso 0 dist 7.80979 6.76933 6.96883 6.25568 12.5725 8.45756 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 9.13071 8.82948 7.26562 10.7234 12.9515 6.95912 numMergedOcc 0
20 mol 287 unq 1 iso 0 dist 8.19596 8.82948 11.1391 10.7234 16.5416 6.95912 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 9.13071 8.82948 7.26562 10.7234 12.9515 6.95912 numMergedOcc 0
22 mol 288 unq 1 iso 0 dist 8.19596 8.82948 11.1391 10.7234 16.5416 6.95912 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 9.13071 8.82948 7.26562 10.7234 12.9515 6.95912 numMergedOcc 0
24 mol 289 unq 1 iso 0 dist 8.19596 8.82948 11.1391 10.7234 16.5416 6.95912 numMergedOcc 0
25 mol 292 unq 0 iso 0 dist 8.67773 5.67671 7.37725 5.30062 8.18174 8.25485 numMergedOcc 0
