0 mol 54 unq 0 iso 0 dist 5.53875 8.83986 9.77131 5.92411 6.91734 6.626 numMergedOcc 0
1 mol 54 unq 0 iso 1 dist 9.77131 8.83986 5.53875 6.626 6.91734 5.92411 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 8.10708 9.64474 8.42956 7.43198 6.23899 4.60667 numMergedOcc 0
3 mol 59 unq 0 iso 1 dist 8.42956 9.64474 8.10708 4.60667 6.23899 7.43198 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 8.10708 7.07517 9.20253 7.43198 6.23899 8.34147 numMergedOcc 0
5 mol 59 unq 1 iso 1 dist 9.20253 7.07517 8.10708 8.34147 6.23899 7.43198 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 8.42956 6.59689 9.20253 4.60667 6.23899 8.34147 numMergedOcc 0
7 mol 59 unq 1 iso 1 dist 9.20253 6.59689 8.42956 8.34147 6.23899 4.60667 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 8.18002 11.2311 9.01261 13.0823 7.96497 5.31976 numMergedOcc 0
9 mol 68 unq 0 iso 1 dist 9.01261 11.2311 8.18002 5.31976 7.96497 13.0823 numMergedOcc 0
10 mol 75 unq 0 iso 0 dist 7.14313 11.6648 8.26819 5.2027 6.33365 12.5382 numMergedOcc 0
11 mol 75 unq 0 iso 1 dist 8.26819 11.6648 7.14313 12.5382 6.33365 5.2027 numMergedOcc 0
12 mol 75 unq 1 iso 0 dist 7.14313 11.6648 8.26819 6.77761 5.15851 5.56574 numMergedOcc 0
13 mol 75 unq 1 iso 1 dist 8.26819 11.6648 7.14313 5.56574 5.15851 6.77761 numMergedOcc 0
14 mol 127 unq 0 iso 0 dist 5.45159 5.46468 4.9835 5.9827 6.192 7.96613 numMergedOcc 0
15 mol 127 unq 0 iso 1 dist 4.9835 5.46468 5.45159 7.96613 6.192 5.9827 numMergedOcc 0
16 mol 127 unq 1 iso 0 dist 5.45159 5.46468 4.9835 7.79941 7.69308 6.32804 numMergedOcc 0
17 mol 127 unq 1 iso 1 dist 4.9835 5.46468 5.45159 6.32804 7.69308 7.79941 numMergedOcc 0
18 mol 127 unq 2 iso 0 dist 5.45159 5.46468 4.9835 13.8098 8.59981 11.5038 numMergedOcc 0
19 mol 127 unq 2 iso 1 dist 4.9835 5.46468 5.45159 11.5038 8.59981 13.8098 numMergedOcc 0
20 mol 127 unq 3 iso 0 dist 5.45159 5.46468 4.9835 12.0185 7.66331 12.1032 numMergedOcc 0
21 mol 127 unq 3 iso 1 dist 4.9835 5.46468 5.45159 12.1032 7.66331 12.0185 numMergedOcc 0
22 mol 187 unq 0 iso 0 dist 7.9625 12.8195 8.9148 4.98423 9.27478 10.0429 numMergedOcc 0
23 mol 187 unq 0 iso 1 dist 8.9148 12.8195 7.9625 10.0429 9.27478 4.98423 numMergedOcc 0
24 mol 194 unq 0 iso 0 dist 8.40972 6.35088 7.03163 5.55582 6.15769 6.12629 numMergedOcc 0
25 mol 194 unq 0 iso 1 dist 7.03163 6.35088 8.40972 6.12629 6.15769 5.55582 numMergedOcc 0
26 mol 220 unq 0 iso 0 dist 5.91133 13.6133 9.49722 5.04898 7.82944 14.13 numMergedOcc 0
27 mol 220 unq 0 iso 1 dist 9.49722 13.6133 5.91133 14.13 7.82944 5.04898 numMergedOcc 0
28 mol 224 unq 0 iso 0 dist 8.76325 5.92863 8.85101 6.87755 7.06793 11.0252 numMergedOcc 0
29 mol 224 unq 0 iso 1 dist 8.85101 5.92863 8.76325 11.0252 7.06793 6.87755 numMergedOcc 0
30 mol 228 unq 0 iso 0 dist 9.91303 9.96075 4.55699 14.0089 9.42615 5.85714 numMergedOcc 0
31 mol 228 unq 0 iso 1 dist 4.55699 9.96075 9.91303 5.85714 9.42615 14.0089 numMergedOcc 0
32 mol 228 unq 1 iso 0 dist 8.10816 15.9067 7.81837 5.85714 8.06181 14.5035 numMergedOcc 0
33 mol 228 unq 1 iso 1 dist 7.81837 15.9067 8.10816 14.5035 8.06181 5.85714 numMergedOcc 0
34 mol 228 unq 2 iso 0 dist 8.10816 15.9067 7.81837 10.5025 8.38048 11.9658 numMergedOcc 0
35 mol 228 unq 2 iso 1 dist 7.81837 15.9067 8.10816 11.9658 8.38048 10.5025 numMergedOcc 0
36 mol 228 unq 3 iso 0 dist 8.10816 15.9067 7.81837 14.2891 7.65132 5.84747 numMergedOcc 0
37 mol 228 unq 3 iso 1 dist 7.81837 15.9067 8.10816 5.84747 7.65132 14.2891 numMergedOcc 0
38 mol 228 unq 4 iso 0 dist 8.10816 15.9067 7.81837 10.0386 8.53764 12.7016 numMergedOcc 0
39 mol 228 unq 4 iso 1 dist 7.81837 15.9067 8.10816 12.7016 8.53764 10.0386 numMergedOcc 0
40 mol 228 unq 5 iso 0 dist 7.95486 15.904 7.97746 5.79543 7.77367 14.4066 numMergedOcc 0
41 mol 228 unq 5 iso 1 dist 7.97746 15.904 7.95486 14.4066 7.77367 5.79543 numMergedOcc 0
42 mol 228 unq 6 iso 0 dist 7.95486 15.904 7.97746 10.4968 8.20909 11.8013 numMergedOcc 0
43 mol 228 unq 6 iso 1 dist 7.97746 15.904 7.95486 11.8013 8.20909 10.4968 numMergedOcc 0
44 mol 228 unq 7 iso 0 dist 7.95486 15.904 7.97746 14.5051 7.94506 5.70777 numMergedOcc 0
45 mol 228 unq 7 iso 1 dist 7.97746 15.904 7.95486 5.70777 7.94506 14.5051 numMergedOcc 0
46 mol 228 unq 8 iso 0 dist 7.95486 15.904 7.97746 10.0847 8.15494 12.5209 numMergedOcc 0
47 mol 228 unq 8 iso 1 dist 7.97746 15.904 7.95486 12.5209 8.15494 10.0847 numMergedOcc 0
48 mol 278 unq 0 iso 0 dist 8.56781 5.29611 9.95186 4.69872 6.35287 8.66976 numMergedOcc 0
49 mol 278 unq 0 iso 1 dist 9.95186 5.29611 8.56781 8.66976 6.35287 4.69872 numMergedOcc 0
50 mol 293 unq 0 iso 0 dist 5.88449 5.85599 7.44889 5.67215 9.47908 8.36783 numMergedOcc 0
51 mol 293 unq 0 iso 1 dist 7.44889 5.85599 5.88449 8.36783 9.47908 5.67215 numMergedOcc 0
52 mol 293 unq 1 iso 0 dist 5.88449 5.85599 7.44889 11.4201 8.56847 9.51167 numMergedOcc 0
53 mol 293 unq 1 iso 1 dist 7.44889 5.85599 5.88449 9.51167 8.56847 11.4201 numMergedOcc 0
54 mol 293 unq 2 iso 0 dist 5.88449 7.34816 5.50284 5.67215 9.47908 6.91752 numMergedOcc 0
55 mol 293 unq 2 iso 1 dist 5.50284 7.34816 5.88449 6.91752 9.47908 5.67215 numMergedOcc 0
56 mol 293 unq 3 iso 0 dist 5.88449 7.34816 5.50284 11.4201 8.56847 5.66805 numMergedOcc 0
57 mol 293 unq 3 iso 1 dist 5.50284 7.34816 5.88449 5.66805 8.56847 11.4201 numMergedOcc 0
58 mol 293 unq 2 iso 0 dist 7.44889 8.64916 5.50284 8.36783 9.47908 6.91752 numMergedOcc 0
59 mol 293 unq 2 iso 1 dist 5.50284 8.64916 7.44889 6.91752 9.47908 8.36783 numMergedOcc 0
60 mol 293 unq 3 iso 0 dist 7.44889 8.64916 5.50284 9.51167 8.56847 5.66805 numMergedOcc 0
61 mol 293 unq 3 iso 1 dist 5.50284 8.64916 7.44889 5.66805 8.56847 9.51167 numMergedOcc 0
62 mol 293 unq 4 iso 0 dist 8.93207 6.78719 7.2668 6.98777 9.97212 5.67215 numMergedOcc 0
63 mol 293 unq 4 iso 1 dist 7.2668 6.78719 8.93207 5.67215 9.97212 6.98777 numMergedOcc 0
64 mol 293 unq 5 iso 0 dist 8.93207 12.0658 8.88355 6.98777 9.97212 6.91752 numMergedOcc 0
65 mol 293 unq 5 iso 1 dist 8.88355 12.0658 8.93207 6.91752 9.97212 6.98777 numMergedOcc 0
66 mol 293 unq 5 iso 0 dist 7.2668 7.34816 8.88355 5.67215 9.97212 6.91752 numMergedOcc 0
67 mol 293 unq 5 iso 1 dist 8.88355 7.34816 7.2668 6.91752 9.97212 5.67215 numMergedOcc 0
68 mol 294 unq 0 iso 0 dist 8.05845 11.503 8.73893 6.6414 9.03492 15.587 numMergedOcc 0
69 mol 294 unq 0 iso 1 dist 8.73893 11.503 8.05845 15.587 9.03492 6.6414 numMergedOcc 0
