0 mol 24 unq 0 iso 0 dist 4.93188 8.23075 4.21283 4.7841 4.97191 6.0925 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 4.93188 4.7841 4.97191 8.23075 4.21283 6.0925 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.44506 7.98005 12.4814 8.31381 15.4838 6.92384 numMergedOcc 0
3 mol 26 unq 0 iso 1 dist 8.44506 8.31381 15.4838 7.98005 12.4814 6.92384 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 7.9814 8.06267 9.21465 5.88334 6.22999 3.20411 numMergedOcc 0
5 mol 68 unq 0 iso 1 dist 7.9814 5.88334 6.22999 8.06267 9.21465 3.20411 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 7.71107 9.06601 12.2445 5.98809 3.75797 8.72808 numMergedOcc 0
7 mol 111 unq 0 iso 1 dist 7.71107 5.98809 3.75797 9.06601 12.2445 8.72808 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 8.93905 6.42623 9.23272 8.95899 14.3708 8.68088 numMergedOcc 0
9 mol 120 unq 0 iso 1 dist 8.93905 8.95899 14.3708 6.42623 9.23272 8.68088 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 8.35555 6.79114 4.78989 7.59457 9.43672 6.01609 numMergedOcc 0
11 mol 152 unq 0 iso 1 dist 8.35555 7.59457 9.43672 6.79114 4.78989 6.01609 numMergedOcc 0
12 mol 163 unq 0 iso 0 dist 8.38738 9.90947 15.2764 8.16252 12.99 3.25368 numMergedOcc 0
13 mol 163 unq 0 iso 1 dist 8.38738 8.16252 12.99 9.90947 15.2764 3.25368 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 9.94125 9.86868 3.67696 6.83528 7.69109 9.71457 numMergedOcc 0
15 mol 167 unq 0 iso 1 dist 9.94125 6.83528 7.69109 9.86868 3.67696 9.71457 numMergedOcc 0
16 mol 198 unq 0 iso 0 dist 8.10985 6.77156 13.3432 7.97894 12.4245 5.53445 numMergedOcc 0
17 mol 198 unq 0 iso 1 dist 8.10985 7.97894 12.4245 6.77156 13.3432 5.53445 numMergedOcc 0
18 mol 198 unq 1 iso 0 dist 8.10985 6.77156 13.3432 8.08471 5.45278 10.4205 numMergedOcc 0
19 mol 198 unq 1 iso 1 dist 8.10985 8.08471 5.45278 6.77156 13.3432 10.4205 numMergedOcc 0
20 mol 198 unq 1 iso 0 dist 8.10985 7.97894 12.4245 8.08471 5.45278 8.69074 numMergedOcc 0
21 mol 198 unq 1 iso 1 dist 8.10985 8.08471 5.45278 7.97894 12.4245 8.69074 numMergedOcc 0
22 mol 232 unq 0 iso 0 dist 7.83711 8.25985 6.20756 9.27788 11.7554 6.61868 numMergedOcc 0
23 mol 232 unq 0 iso 1 dist 7.83711 9.27788 11.7554 8.25985 6.20756 6.61868 numMergedOcc 0
24 mol 253 unq 0 iso 0 dist 9.66465 8.94786 3.15936 9.1927 5.26612 6.8233 numMergedOcc 0
25 mol 253 unq 0 iso 1 dist 9.66465 9.1927 5.26612 8.94786 3.15936 6.8233 numMergedOcc 0
26 mol 253 unq 1 iso 0 dist 9.66465 8.94786 3.15936 9.60694 13.8016 15.2509 numMergedOcc 0
27 mol 253 unq 1 iso 1 dist 9.66465 9.60694 13.8016 8.94786 3.15936 15.2509 numMergedOcc 0
28 mol 253 unq 2 iso 0 dist 9.66465 8.94786 3.15936 9.27311 16.4545 17.0369 numMergedOcc 0
29 mol 253 unq 2 iso 1 dist 9.66465 9.27311 16.4545 8.94786 3.15936 17.0369 numMergedOcc 0
30 mol 253 unq 1 iso 0 dist 9.66465 9.1927 5.26612 9.60694 13.8016 11.5519 numMergedOcc 0
31 mol 253 unq 1 iso 1 dist 9.66465 9.60694 13.8016 9.1927 5.26612 11.5519 numMergedOcc 0
32 mol 253 unq 2 iso 0 dist 9.66465 9.1927 5.26612 9.27311 16.4545 13.6905 numMergedOcc 0
33 mol 253 unq 2 iso 1 dist 9.66465 9.27311 16.4545 9.1927 5.26612 13.6905 numMergedOcc 0
34 mol 253 unq 2 iso 0 dist 9.66465 9.60694 13.8016 9.27311 16.4545 5.35859 numMergedOcc 0
35 mol 253 unq 2 iso 1 dist 9.66465 9.27311 16.4545 9.60694 13.8016 5.35859 numMergedOcc 0
36 mol 258 unq 0 iso 0 dist 8.15467 7.12221 8.34189 5.4557 10.6472 8.40845 numMergedOcc 0
37 mol 258 unq 0 iso 1 dist 8.15467 5.4557 10.6472 7.12221 8.34189 8.40845 numMergedOcc 0
38 mol 274 unq 0 iso 0 dist 7.52109 8.12739 8.96388 6.09853 6.75363 5.57024 numMergedOcc 0
39 mol 274 unq 0 iso 1 dist 7.52109 6.09853 6.75363 8.12739 8.96388 5.57024 numMergedOcc 0
40 mol 274 unq 1 iso 0 dist 7.44083 8.12739 12.596 6.09853 8.42538 5.57024 numMergedOcc 0
41 mol 274 unq 1 iso 1 dist 7.44083 6.09853 8.42538 8.12739 12.596 5.57024 numMergedOcc 0
42 mol 285 unq 0 iso 0 dist 5.31728 6.71946 4.12133 8.28061 10.3898 9.00617 numMergedOcc 0
43 mol 285 unq 0 iso 1 dist 5.31728 8.28061 10.3898 6.71946 4.12133 9.00617 numMergedOcc 0
44 mol 285 unq 1 iso 0 dist 5.31728 6.71946 4.12133 5.03601 6.89311 7.33055 numMergedOcc 0
45 mol 285 unq 1 iso 1 dist 5.31728 5.03601 6.89311 6.71946 4.12133 7.33055 numMergedOcc 0
46 mol 285 unq 1 iso 0 dist 5.31728 8.28061 10.3898 5.03601 6.89311 4.55612 numMergedOcc 0
47 mol 285 unq 1 iso 1 dist 5.31728 5.03601 6.89311 8.28061 10.3898 4.55612 numMergedOcc 0
