0 mol 4 unq 0 iso 0 dist 8.39239 5.30385 7.27909 11.0787 14.684 9.16617 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 7.89705 6.07294 4.85777 8.85978 9.57606 8.51663 numMergedOcc 0
2 mol 60 unq 0 iso 0 dist 8.4928 8.04272 4.82351 10.0675 7.55695 9.90939 numMergedOcc 0
3 mol 65 unq 0 iso 0 dist 5.12044 8.54555 7.18126 10.2068 12.0267 6.72639 numMergedOcc 0
4 mol 65 unq 1 iso 0 dist 5.12044 8.54555 7.18126 5.38234 8.37515 6.76508 numMergedOcc 0
5 mol 65 unq 2 iso 0 dist 5.12044 7.0386 6.00418 5.05869 5.69971 7.90294 numMergedOcc 0
6 mol 65 unq 3 iso 0 dist 5.12044 7.0386 6.00418 10.2068 12.0267 9.34791 numMergedOcc 0
7 mol 65 unq 4 iso 0 dist 5.12044 7.0386 6.00418 5.38234 8.37515 8.22785 numMergedOcc 0
8 mol 67 unq 0 iso 0 dist 6.0478 5.63802 10.8112 7.63289 12.5503 9.49144 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 9.924 9.04728 6.85215 3.85308 7.33422 7.54568 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 9.924 9.04728 6.85215 9.77828 14.9249 9.39864 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 6.97288 7.31426 7.75408 5.60777 10.4448 5.37007 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 9.08316 6.15654 5.43086 5.1767 10.99 6.95572 numMergedOcc 0
13 mol 92 unq 2 iso 0 dist 9.08316 7.89887 6.04936 5.1767 10.99 7.38677 numMergedOcc 0
14 mol 92 unq 3 iso 0 dist 5.22996 8.96747 12.0757 6.09495 6.49956 8.91313 numMergedOcc 0
15 mol 171 unq 0 iso 0 dist 6.81707 6.4751 9.18337 8.67611 12.6307 6.64834 numMergedOcc 0
16 mol 171 unq 1 iso 0 dist 6.81707 6.4751 9.18337 9.28655 14.2846 5.93786 numMergedOcc 0
17 mol 171 unq 2 iso 0 dist 6.81707 6.4751 9.18337 10.4021 15.3908 8.24693 numMergedOcc 0
18 mol 171 unq 3 iso 0 dist 6.81707 6.4751 9.18337 11.8046 13.1421 7.36698 numMergedOcc 0
19 mol 171 unq 4 iso 0 dist 6.81707 5.75085 8.83874 9.28655 14.2846 8.1344 numMergedOcc 0
20 mol 171 unq 5 iso 0 dist 6.81707 5.75085 8.83874 10.4021 15.3908 6.71356 numMergedOcc 0
21 mol 194 unq 0 iso 0 dist 8.63008 8.09776 7.50057 10.977 8.83356 6.72379 numMergedOcc 0
22 mol 194 unq 1 iso 0 dist 8.63008 5.4455 5.92931 13.445 6.26839 8.65535 numMergedOcc 0
23 mol 195 unq 0 iso 0 dist 5.46768 9.25935 6.0634 7.00308 6.60567 7.36683 numMergedOcc 0
24 mol 195 unq 1 iso 0 dist 5.46768 9.25935 6.0634 5.34788 7.62942 9.26504 numMergedOcc 0
25 mol 278 unq 0 iso 0 dist 8.04138 9.73172 13.537 4.7203 12.4198 8.00673 numMergedOcc 0
26 mol 278 unq 1 iso 0 dist 8.04138 9.73172 13.537 6.42903 7.67245 6.62841 numMergedOcc 0
27 mol 279 unq 0 iso 0 dist 8.84798 5.94449 5.89415 7.7504 6.43341 9.09855 numMergedOcc 0
28 mol 279 unq 1 iso 0 dist 8.84798 7.66302 15.1378 11.8697 15.7719 7.23721 numMergedOcc 0
