0 mol 19 unq 0 iso 0 dist 7.09123 9.82581 8.93186 8.53244 4.48525 13.3381 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 7.09123 8.96529 6.93144 8.53244 4.48525 6.1852 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 9.81779 7.49678 8.22614 6.17165 4.57679 6.47086 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 7.61029 5.04007 10.5254 9.68339 10.95 6.32526 numMergedOcc 0
4 mol 68 unq 1 iso 0 dist 7.61029 6.60395 13.1001 9.68339 10.95 11.4996 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 8.65864 7.52544 10.205 9.39338 17.0116 12.6371 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 8.65864 7.52544 10.205 8.9053 17.5177 13.4778 numMergedOcc 0
7 mol 76 unq 2 iso 0 dist 8.65864 8.08674 7.90785 9.39338 17.0116 17.2592 numMergedOcc 0
8 mol 76 unq 3 iso 0 dist 8.65864 8.08674 7.90785 8.9053 17.5177 15.1961 numMergedOcc 0
9 mol 76 unq 4 iso 0 dist 8.65864 8.33694 15.3489 9.39338 17.0116 11.7045 numMergedOcc 0
10 mol 76 unq 5 iso 0 dist 8.65864 8.33694 15.3489 8.9053 17.5177 8.38148 numMergedOcc 0
11 mol 102 unq 0 iso 0 dist 6.54242 5.90675 7.4117 6.00241 4.07607 6.43211 numMergedOcc 0
12 mol 127 unq 0 iso 0 dist 9.26252 7.88328 10.2078 6.00571 5.48438 11.1968 numMergedOcc 0
13 mol 127 unq 1 iso 0 dist 9.26252 5.33851 5.50976 6.00571 5.48438 6.02157 numMergedOcc 0
14 mol 132 unq 0 iso 0 dist 9.24867 8.97036 8.47722 9.4827 17.1209 15.7512 numMergedOcc 0
15 mol 132 unq 1 iso 0 dist 9.24867 8.97036 8.47722 9.0788 5.64836 5.6296 numMergedOcc 0
16 mol 180 unq 0 iso 0 dist 9.1469 5.314 4.94642 9.99021 9.08779 6.70303 numMergedOcc 0
17 mol 180 unq 1 iso 0 dist 5.9064 5.314 5.75763 9.99021 12.2619 6.70303 numMergedOcc 0
18 mol 211 unq 0 iso 0 dist 9.05403 7.49132 10.7664 7.03051 5.70694 6.09386 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 4.42722 8.17723 9.63307 6.61361 8.97903 9.09461 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 8.70984 5.50553 5.41409 8.94629 12.8362 11.8626 numMergedOcc 0
21 mol 294 unq 0 iso 0 dist 6.33388 8.92737 10.2832 7.64578 13.3788 10.5231 numMergedOcc 0
22 mol 294 unq 1 iso 0 dist 6.33388 8.92737 10.2832 6.28096 5.05234 13.1133 numMergedOcc 0
