0 mol 9 unq 0 iso 0 dist 7.47838 11.8617 7.2707 9.55673 8.99816 5.43306 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 7.47838 9.55673 8.99816 11.8617 7.2707 5.43306 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 7.47838 11.8617 7.2707 6.96891 5.96667 6.17866 numMergedOcc 0
3 mol 9 unq 1 iso 1 dist 7.47838 6.96891 5.96667 11.8617 7.2707 6.17866 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 7.47838 9.55673 8.99816 6.96891 5.96667 4.41171 numMergedOcc 0
5 mol 9 unq 1 iso 1 dist 7.47838 6.96891 5.96667 9.55673 8.99816 4.41171 numMergedOcc 0
6 mol 15 unq 0 iso 0 dist 7.876 9.64147 7.38744 4.29582 9.41935 12.5859 numMergedOcc 0
7 mol 15 unq 0 iso 1 dist 7.876 4.29582 9.41935 9.64147 7.38744 12.5859 numMergedOcc 0
8 mol 15 unq 1 iso 0 dist 8.63502 10.7474 7.38744 8.72342 9.41935 12.5859 numMergedOcc 0
9 mol 15 unq 1 iso 1 dist 8.63502 8.72342 9.41935 10.7474 7.38744 12.5859 numMergedOcc 0
10 mol 20 unq 0 iso 0 dist 9.8099 10.0815 6.85224 13.457 8.04657 9.9801 numMergedOcc 0
11 mol 20 unq 0 iso 1 dist 9.8099 13.457 8.04657 10.0815 6.85224 9.9801 numMergedOcc 0
12 mol 30 unq 0 iso 0 dist 5.61656 6.10646 8.28062 7.0381 6.90201 9.67702 numMergedOcc 0
13 mol 30 unq 0 iso 1 dist 5.61656 7.0381 6.90201 6.10646 8.28062 9.67702 numMergedOcc 0
14 mol 30 unq 1 iso 0 dist 8.67487 5.89021 8.28062 5.85054 6.90201 9.67702 numMergedOcc 0
15 mol 30 unq 1 iso 1 dist 8.67487 5.85054 6.90201 5.89021 8.28062 9.67702 numMergedOcc 0
16 mol 30 unq 2 iso 0 dist 6.95343 10.7121 8.28062 4.94076 6.90201 9.67702 numMergedOcc 0
17 mol 30 unq 2 iso 1 dist 6.95343 4.94076 6.90201 10.7121 8.28062 9.67702 numMergedOcc 0
18 mol 92 unq 0 iso 0 dist 7.48658 8.70803 9.81484 9.52327 5.77527 6.2185 numMergedOcc 0
19 mol 92 unq 0 iso 1 dist 7.48658 9.52327 5.77527 8.70803 9.81484 6.2185 numMergedOcc 0
20 mol 92 unq 1 iso 0 dist 7.48658 8.70803 9.81484 13.093 7.313 10.258 numMergedOcc 0
21 mol 92 unq 1 iso 1 dist 7.48658 13.093 7.313 8.70803 9.81484 10.258 numMergedOcc 0
22 mol 92 unq 1 iso 0 dist 7.48658 9.52327 5.77527 13.093 7.313 6.3583 numMergedOcc 0
23 mol 92 unq 1 iso 1 dist 7.48658 13.093 7.313 9.52327 5.77527 6.3583 numMergedOcc 0
24 mol 92 unq 2 iso 0 dist 7.20279 7.52639 9.81484 7.34683 5.77527 6.2185 numMergedOcc 0
25 mol 92 unq 2 iso 1 dist 7.20279 7.34683 5.77527 7.52639 9.81484 6.2185 numMergedOcc 0
26 mol 92 unq 3 iso 0 dist 7.20279 7.52639 9.81484 5.96752 7.313 10.258 numMergedOcc 0
27 mol 92 unq 3 iso 1 dist 7.20279 5.96752 7.313 7.52639 9.81484 10.258 numMergedOcc 0
28 mol 92 unq 3 iso 0 dist 7.20279 7.34683 5.77527 5.96752 7.313 6.3583 numMergedOcc 0
29 mol 92 unq 3 iso 1 dist 7.20279 5.96752 7.313 7.34683 5.77527 6.3583 numMergedOcc 0
30 mol 100 unq 0 iso 0 dist 4.5985 6.12107 8.95014 5.42531 6.84692 4.36434 numMergedOcc 0
31 mol 100 unq 0 iso 1 dist 4.5985 5.42531 6.84692 6.12107 8.95014 4.36434 numMergedOcc 0
32 mol 100 unq 1 iso 0 dist 4.5985 6.12107 8.95014 4.86592 5.74152 8.81698 numMergedOcc 0
33 mol 100 unq 1 iso 1 dist 4.5985 4.86592 5.74152 6.12107 8.95014 8.81698 numMergedOcc 0
34 mol 100 unq 1 iso 0 dist 4.5985 5.42531 6.84692 4.86592 5.74152 5.59227 numMergedOcc 0
35 mol 100 unq 1 iso 1 dist 4.5985 4.86592 5.74152 5.42531 6.84692 5.59227 numMergedOcc 0
36 mol 100 unq 2 iso 0 dist 8.20656 12.5531 8.95014 8.4128 6.84692 4.36434 numMergedOcc 0
37 mol 100 unq 2 iso 1 dist 8.20656 8.4128 6.84692 12.5531 8.95014 4.36434 numMergedOcc 0
38 mol 100 unq 3 iso 0 dist 8.20656 12.5531 8.95014 7.96533 5.74152 8.81698 numMergedOcc 0
39 mol 100 unq 3 iso 1 dist 8.20656 7.96533 5.74152 12.5531 8.95014 8.81698 numMergedOcc 0
40 mol 100 unq 3 iso 0 dist 8.20656 8.4128 6.84692 7.96533 5.74152 5.59227 numMergedOcc 0
41 mol 100 unq 3 iso 1 dist 8.20656 7.96533 5.74152 8.4128 6.84692 5.59227 numMergedOcc 0
42 mol 134 unq 0 iso 0 dist 6.50009 6.98221 7.20601 8.11308 8.72806 6.26901 numMergedOcc 0
43 mol 134 unq 0 iso 1 dist 6.50009 8.11308 8.72806 6.98221 7.20601 6.26901 numMergedOcc 0
44 mol 157 unq 0 iso 0 dist 7.02823 8.11692 9.53818 6.38294 5.14587 6.27516 numMergedOcc 0
45 mol 157 unq 0 iso 1 dist 7.02823 6.38294 5.14587 8.11692 9.53818 6.27516 numMergedOcc 0
46 mol 157 unq 1 iso 0 dist 7.02823 8.11692 9.53818 6.74921 8.93257 13.1204 numMergedOcc 0
47 mol 157 unq 1 iso 1 dist 7.02823 6.74921 8.93257 8.11692 9.53818 13.1204 numMergedOcc 0
48 mol 157 unq 2 iso 0 dist 7.02823 8.11692 9.53818 8.09556 7.71842 4.81512 numMergedOcc 0
49 mol 157 unq 2 iso 1 dist 7.02823 8.09556 7.71842 8.11692 9.53818 4.81512 numMergedOcc 0
50 mol 157 unq 1 iso 0 dist 7.02823 6.38294 5.14587 6.74921 8.93257 11.652 numMergedOcc 0
51 mol 157 unq 1 iso 1 dist 7.02823 6.74921 8.93257 6.38294 5.14587 11.652 numMergedOcc 0
52 mol 157 unq 2 iso 0 dist 7.02823 6.38294 5.14587 8.09556 7.71842 7.44437 numMergedOcc 0
53 mol 157 unq 2 iso 1 dist 7.02823 8.09556 7.71842 6.38294 5.14587 7.44437 numMergedOcc 0
54 mol 157 unq 2 iso 0 dist 7.02823 6.74921 8.93257 8.09556 7.71842 10.5324 numMergedOcc 0
55 mol 157 unq 2 iso 1 dist 7.02823 8.09556 7.71842 6.74921 8.93257 10.5324 numMergedOcc 0
56 mol 157 unq 3 iso 0 dist 8.97404 7.24719 9.53818 8.0238 5.14587 6.27516 numMergedOcc 0
57 mol 157 unq 3 iso 1 dist 8.97404 8.0238 5.14587 7.24719 9.53818 6.27516 numMergedOcc 0
58 mol 157 unq 4 iso 0 dist 8.97404 7.24719 9.53818 15.6542 8.93257 13.1204 numMergedOcc 0
59 mol 157 unq 4 iso 1 dist 8.97404 15.6542 8.93257 7.24719 9.53818 13.1204 numMergedOcc 0
60 mol 157 unq 5 iso 0 dist 8.97404 7.24719 9.53818 6.41986 7.71842 4.81512 numMergedOcc 0
61 mol 157 unq 5 iso 1 dist 8.97404 6.41986 7.71842 7.24719 9.53818 4.81512 numMergedOcc 0
62 mol 157 unq 4 iso 0 dist 8.97404 8.0238 5.14587 15.6542 8.93257 11.652 numMergedOcc 0
63 mol 157 unq 4 iso 1 dist 8.97404 15.6542 8.93257 8.0238 5.14587 11.652 numMergedOcc 0
64 mol 157 unq 5 iso 0 dist 8.97404 8.0238 5.14587 6.41986 7.71842 7.44437 numMergedOcc 0
65 mol 157 unq 5 iso 1 dist 8.97404 6.41986 7.71842 8.0238 5.14587 7.44437 numMergedOcc 0
66 mol 157 unq 5 iso 0 dist 8.97404 15.6542 8.93257 6.41986 7.71842 10.5324 numMergedOcc 0
67 mol 157 unq 5 iso 1 dist 8.97404 6.41986 7.71842 15.6542 8.93257 10.5324 numMergedOcc 0
68 mol 194 unq 0 iso 0 dist 7.61316 6.61274 7.12765 10.286 5.67863 5.62919 numMergedOcc 0
69 mol 194 unq 0 iso 1 dist 7.61316 10.286 5.67863 6.61274 7.12765 5.62919 numMergedOcc 0
70 mol 194 unq 1 iso 0 dist 7.61316 6.61274 7.12765 15.0555 9.42308 11.6084 numMergedOcc 0
71 mol 194 unq 1 iso 1 dist 7.61316 15.0555 9.42308 6.61274 7.12765 11.6084 numMergedOcc 0
72 mol 194 unq 1 iso 0 dist 7.61316 10.286 5.67863 15.0555 9.42308 9.4131 numMergedOcc 0
73 mol 194 unq 1 iso 1 dist 7.61316 15.0555 9.42308 10.286 5.67863 9.4131 numMergedOcc 0
74 mol 237 unq 0 iso 0 dist 8.8949 10.6582 8.20201 13.3834 6.21939 6.08027 numMergedOcc 0
75 mol 237 unq 0 iso 1 dist 8.8949 13.3834 6.21939 10.6582 8.20201 6.08027 numMergedOcc 0
76 mol 244 unq 0 iso 0 dist 7.27258 5.32505 7.34165 12.4021 6.61951 12.6991 numMergedOcc 0
77 mol 244 unq 0 iso 1 dist 7.27258 12.4021 6.61951 5.32505 7.34165 12.6991 numMergedOcc 0
78 mol 244 unq 1 iso 0 dist 5.29811 10.5501 7.34165 5.17744 6.61951 12.6991 numMergedOcc 0
79 mol 244 unq 1 iso 1 dist 5.29811 5.17744 6.61951 10.5501 7.34165 12.6991 numMergedOcc 0
80 mol 256 unq 0 iso 0 dist 9.72168 11.578 6.65749 7.7384 4.73652 4.56465 numMergedOcc 0
81 mol 256 unq 0 iso 1 dist 9.72168 7.7384 4.73652 11.578 6.65749 4.56465 numMergedOcc 0
