0 mol 24 unq 0 iso 0 dist 8.13365 6.09311 7.49157 9.56533 7.73794 4.10458 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 8.13365 9.56533 7.73794 6.09311 7.49157 4.10458 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 7.34549 8.82979 7.98005 3.63999 8.31381 6.92384 numMergedOcc 0
3 mol 26 unq 0 iso 1 dist 7.34549 3.63999 8.31381 8.82979 7.98005 6.92384 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 8.09068 12.3884 7.98005 11.7163 8.31381 6.92384 numMergedOcc 0
5 mol 26 unq 1 iso 1 dist 8.09068 11.7163 8.31381 12.3884 7.98005 6.92384 numMergedOcc 0
6 mol 26 unq 2 iso 0 dist 9.72289 15.7944 7.98005 13.5789 8.31381 6.92384 numMergedOcc 0
7 mol 26 unq 2 iso 1 dist 9.72289 13.5789 8.31381 15.7944 7.98005 6.92384 numMergedOcc 0
8 mol 41 unq 0 iso 0 dist 7.07587 10.1866 9.17982 14.808 9.62869 8.4027 numMergedOcc 0
9 mol 41 unq 0 iso 1 dist 7.07587 14.808 9.62869 10.1866 9.17982 8.4027 numMergedOcc 0
10 mol 41 unq 1 iso 0 dist 7.07587 10.1866 9.17982 6.16399 6.40219 4.89793 numMergedOcc 0
11 mol 41 unq 1 iso 1 dist 7.07587 6.16399 6.40219 10.1866 9.17982 4.89793 numMergedOcc 0
12 mol 41 unq 1 iso 0 dist 7.07587 14.808 9.62869 6.16399 6.40219 10.876 numMergedOcc 0
13 mol 41 unq 1 iso 1 dist 7.07587 6.16399 6.40219 14.808 9.62869 10.876 numMergedOcc 0
14 mol 69 unq 0 iso 0 dist 9.37524 6.94096 9.83836 4.54109 9.58351 8.81968 numMergedOcc 0
15 mol 69 unq 0 iso 1 dist 9.37524 4.54109 9.58351 6.94096 9.83836 8.81968 numMergedOcc 0
16 mol 78 unq 0 iso 0 dist 9.45835 13.4907 7.91148 10.4533 6.59794 3.24688 numMergedOcc 0
17 mol 78 unq 0 iso 1 dist 9.45835 10.4533 6.59794 13.4907 7.91148 3.24688 numMergedOcc 0
18 mol 78 unq 1 iso 0 dist 9.45835 13.4907 7.91148 16.0314 8.34957 4.60796 numMergedOcc 0
19 mol 78 unq 1 iso 1 dist 9.45835 16.0314 8.34957 13.4907 7.91148 4.60796 numMergedOcc 0
20 mol 78 unq 1 iso 0 dist 9.45835 10.4533 6.59794 16.0314 8.34957 7.19832 numMergedOcc 0
21 mol 78 unq 1 iso 1 dist 9.45835 16.0314 8.34957 10.4533 6.59794 7.19832 numMergedOcc 0
22 mol 111 unq 0 iso 0 dist 7.42431 3.83194 9.06601 5.56913 5.98809 8.72808 numMergedOcc 0
23 mol 111 unq 0 iso 1 dist 7.42431 5.56913 5.98809 3.83194 9.06601 8.72808 numMergedOcc 0
24 mol 113 unq 0 iso 0 dist 8.29529 3.7042 7.02367 12.8999 9.30832 10.8127 numMergedOcc 0
25 mol 113 unq 0 iso 1 dist 8.29529 12.8999 9.30832 3.7042 7.02367 10.8127 numMergedOcc 0
26 mol 120 unq 0 iso 0 dist 8.20009 8.24077 6.42623 3.79384 8.95899 8.68088 numMergedOcc 0
27 mol 120 unq 0 iso 1 dist 8.20009 3.79384 8.95899 8.24077 6.42623 8.68088 numMergedOcc 0
28 mol 120 unq 1 iso 0 dist 8.14799 5.56137 6.42623 6.80121 8.95899 8.68088 numMergedOcc 0
29 mol 120 unq 1 iso 1 dist 8.14799 6.80121 8.95899 5.56137 6.42623 8.68088 numMergedOcc 0
30 mol 127 unq 0 iso 0 dist 8.09965 5.12492 5.39356 9.6877 9.92746 10.4915 numMergedOcc 0
31 mol 127 unq 0 iso 1 dist 8.09965 9.6877 9.92746 5.12492 5.39356 10.4915 numMergedOcc 0
32 mol 152 unq 0 iso 0 dist 9.37459 10.6933 6.79114 5.0146 7.59457 6.01609 numMergedOcc 0
33 mol 152 unq 0 iso 1 dist 9.37459 5.0146 7.59457 10.6933 6.79114 6.01609 numMergedOcc 0
34 mol 167 unq 0 iso 0 dist 9.21386 7.52035 9.86868 5.95451 6.83528 9.71457 numMergedOcc 0
35 mol 167 unq 0 iso 1 dist 9.21386 5.95451 6.83528 7.52035 9.86868 9.71457 numMergedOcc 0
36 mol 198 unq 0 iso 0 dist 9.98332 7.79482 6.77156 8.97088 7.97894 5.53445 numMergedOcc 0
37 mol 198 unq 0 iso 1 dist 9.98332 8.97088 7.97894 7.79482 6.77156 5.53445 numMergedOcc 0
38 mol 198 unq 1 iso 0 dist 9.98332 7.79482 6.77156 15.9886 8.08471 10.4205 numMergedOcc 0
39 mol 198 unq 1 iso 1 dist 9.98332 15.9886 8.08471 7.79482 6.77156 10.4205 numMergedOcc 0
40 mol 198 unq 1 iso 0 dist 9.98332 8.97088 7.97894 15.9886 8.08471 8.69074 numMergedOcc 0
41 mol 198 unq 1 iso 1 dist 9.98332 15.9886 8.08471 8.97088 7.97894 8.69074 numMergedOcc 0
42 mol 213 unq 0 iso 0 dist 8.48081 5.16198 9.09354 12.1593 4.66576 11.4531 numMergedOcc 0
43 mol 213 unq 0 iso 1 dist 8.48081 12.1593 4.66576 5.16198 9.09354 11.4531 numMergedOcc 0
44 mol 277 unq 0 iso 0 dist 9.64889 13.4595 4.9764 13.6295 6.36559 3.41319 numMergedOcc 0
45 mol 277 unq 0 iso 1 dist 9.64889 13.6295 6.36559 13.4595 4.9764 3.41319 numMergedOcc 0
46 mol 281 unq 0 iso 0 dist 7.04661 3.86368 5.50053 7.4282 7.33334 3.77058 numMergedOcc 0
47 mol 281 unq 0 iso 1 dist 7.04661 7.4282 7.33334 3.86368 5.50053 3.77058 numMergedOcc 0
48 mol 292 unq 0 iso 0 dist 7.11081 4.94483 9.96374 3.70851 5.41432 8.12358 numMergedOcc 0
49 mol 292 unq 0 iso 1 dist 7.11081 3.70851 5.41432 4.94483 9.96374 8.12358 numMergedOcc 0
