0 mol 58 unq 0 iso 0 dist 9.33535 7.08557 8.26899 6.78077 8.80108 6.75888 7.00806 7.60018 6.20618 10.7257 numMergedOcc 0
1 mol 58 unq 0 iso 1 dist 8.26899 7.08557 9.33535 6.75888 8.80108 6.78077 6.20618 7.60018 7.00806 10.7257 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 9.33535 7.08557 8.26899 6.78077 8.80108 6.75888 9.53718 7.03126 5.61579 11.0945 numMergedOcc 0
3 mol 58 unq 1 iso 1 dist 8.26899 7.08557 9.33535 6.75888 8.80108 6.78077 5.61579 7.03126 9.53718 11.0945 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 8.624 5.36766 6.77912 6.00418 9.19459 9.0131 5.72408 9.37102 10.0679 5.11318 numMergedOcc 0
5 mol 72 unq 0 iso 1 dist 6.77912 5.36766 8.624 9.0131 9.19459 6.00418 10.0679 9.37102 5.72408 5.11318 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 8.624 5.36766 6.77912 6.00418 9.19459 9.0131 3.94376 5.4605 5.69391 6.74416 numMergedOcc 0
7 mol 72 unq 1 iso 1 dist 6.77912 5.36766 8.624 9.0131 9.19459 6.00418 5.69391 5.4605 3.94376 6.74416 numMergedOcc 0
8 mol 72 unq 2 iso 0 dist 8.624 5.36766 6.77912 6.00418 9.19459 9.0131 6.19288 6.53824 4.03844 10.7904 numMergedOcc 0
9 mol 72 unq 2 iso 1 dist 6.77912 5.36766 8.624 9.0131 9.19459 6.00418 4.03844 6.53824 6.19288 10.7904 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 8.94837 7.93571 7.77454 5.9915 6.4218 10.7186 11.5407 5.52149 5.91192 11.3936 numMergedOcc 0
11 mol 134 unq 0 iso 1 dist 7.77454 7.93571 8.94837 10.7186 6.4218 5.9915 5.91192 5.52149 11.5407 11.3936 numMergedOcc 0
12 mol 155 unq 0 iso 0 dist 7.39644 10.7616 7.36102 5.40375 7.37901 6.34186 7.10286 5.36254 4.91785 4.48516 numMergedOcc 0
13 mol 155 unq 0 iso 1 dist 7.36102 10.7616 7.39644 6.34186 7.37901 5.40375 4.91785 5.36254 7.10286 4.48516 numMergedOcc 0
14 mol 173 unq 0 iso 0 dist 7.93331 4.83994 6.98095 13.3053 9.79554 8.94065 12.4131 8.62366 12.5815 12.9142 numMergedOcc 0
15 mol 173 unq 0 iso 1 dist 6.98095 4.83994 7.93331 8.94065 9.79554 13.3053 12.5815 8.62366 12.4131 12.9142 numMergedOcc 0
16 mol 173 unq 1 iso 0 dist 7.93331 4.83994 6.98095 13.3053 9.79554 8.94065 8.85462 9.44973 9.65654 12.5859 numMergedOcc 0
17 mol 173 unq 1 iso 1 dist 6.98095 4.83994 7.93331 8.94065 9.79554 13.3053 9.65654 9.44973 8.85462 12.5859 numMergedOcc 0
18 mol 173 unq 2 iso 0 dist 7.93331 4.83994 6.98095 13.3053 9.79554 8.94065 6.91529 6.52508 9.44845 14.5434 numMergedOcc 0
19 mol 173 unq 2 iso 1 dist 6.98095 4.83994 7.93331 8.94065 9.79554 13.3053 9.44845 6.52508 6.91529 14.5434 numMergedOcc 0
20 mol 173 unq 3 iso 0 dist 7.93331 5.16343 8.31897 13.3053 9.79554 14.2537 12.4131 8.62366 8.63452 12.9142 numMergedOcc 0
21 mol 173 unq 3 iso 1 dist 8.31897 5.16343 7.93331 14.2537 9.79554 13.3053 8.63452 8.62366 12.4131 12.9142 numMergedOcc 0
22 mol 173 unq 4 iso 0 dist 7.93331 5.16343 8.31897 13.3053 9.79554 14.2537 8.85462 9.44973 4.83786 12.5859 numMergedOcc 0
23 mol 173 unq 4 iso 1 dist 8.31897 5.16343 7.93331 14.2537 9.79554 13.3053 4.83786 9.44973 8.85462 12.5859 numMergedOcc 0
24 mol 173 unq 5 iso 0 dist 7.93331 5.16343 8.31897 13.3053 9.79554 14.2537 6.91529 6.52508 3.74688 14.5434 numMergedOcc 0
25 mol 173 unq 5 iso 1 dist 8.31897 5.16343 7.93331 14.2537 9.79554 13.3053 3.74688 6.52508 6.91529 14.5434 numMergedOcc 0
26 mol 173 unq 3 iso 0 dist 6.98095 8.17887 8.31897 8.94065 9.79554 14.2537 12.5815 8.62366 8.63452 12.9142 numMergedOcc 0
27 mol 173 unq 3 iso 1 dist 8.31897 8.17887 6.98095 14.2537 9.79554 8.94065 8.63452 8.62366 12.5815 12.9142 numMergedOcc 0
28 mol 173 unq 4 iso 0 dist 6.98095 8.17887 8.31897 8.94065 9.79554 14.2537 9.65654 9.44973 4.83786 12.5859 numMergedOcc 0
29 mol 173 unq 4 iso 1 dist 8.31897 8.17887 6.98095 14.2537 9.79554 8.94065 4.83786 9.44973 9.65654 12.5859 numMergedOcc 0
30 mol 173 unq 5 iso 0 dist 6.98095 8.17887 8.31897 8.94065 9.79554 14.2537 9.44845 6.52508 3.74688 14.5434 numMergedOcc 0
31 mol 173 unq 5 iso 1 dist 8.31897 8.17887 6.98095 14.2537 9.79554 8.94065 3.74688 6.52508 9.44845 14.5434 numMergedOcc 0
32 mol 213 unq 0 iso 0 dist 8.45368 13.7995 9.59129 11.1059 8.74171 12.2579 4.72944 5.461 10.1881 7.09198 numMergedOcc 0
33 mol 213 unq 0 iso 1 dist 9.59129 13.7995 8.45368 12.2579 8.74171 11.1059 10.1881 5.461 4.72944 7.09198 numMergedOcc 0
34 mol 218 unq 0 iso 0 dist 7.17547 7.83217 7.13323 4.54272 8.57853 6.8949 15.6802 8.61306 13.7327 16.2592 numMergedOcc 0
35 mol 218 unq 0 iso 1 dist 7.13323 7.83217 7.17547 6.8949 8.57853 4.54272 13.7327 8.61306 15.6802 16.2592 numMergedOcc 0
36 mol 218 unq 1 iso 0 dist 7.17547 7.83217 7.13323 10.2673 6.75035 6.60235 15.6802 8.61306 13.7327 10.1772 numMergedOcc 0
37 mol 218 unq 1 iso 1 dist 7.13323 7.83217 7.17547 6.60235 6.75035 10.2673 13.7327 8.61306 15.6802 10.1772 numMergedOcc 0
38 mol 227 unq 0 iso 0 dist 8.17891 5.22356 6.95902 13.3557 7.95168 8.8709 4.1511 7.79951 4.69247 12.0749 numMergedOcc 0
39 mol 227 unq 0 iso 1 dist 6.95902 5.22356 8.17891 8.8709 7.95168 13.3557 4.69247 7.79951 4.1511 12.0749 numMergedOcc 0
40 mol 228 unq 0 iso 0 dist 8.06181 5.43096 8.38048 4.81881 8.37287 6.5952 9.3302 7.84881 6.49596 6.68878 numMergedOcc 0
41 mol 228 unq 0 iso 1 dist 8.38048 5.43096 8.06181 6.5952 8.37287 4.81881 6.49596 7.84881 9.3302 6.68878 numMergedOcc 0
42 mol 228 unq 1 iso 0 dist 8.06181 11.1899 7.65132 4.81881 8.37287 11.1604 9.3302 7.84881 6.30327 6.68878 numMergedOcc 0
43 mol 228 unq 1 iso 1 dist 7.65132 11.1899 8.06181 11.1604 8.37287 4.81881 6.30327 7.84881 9.3302 6.68878 numMergedOcc 0
44 mol 228 unq 2 iso 0 dist 8.06181 5.93014 8.53764 4.81881 8.37287 10.1917 9.3302 7.84881 11.9013 6.68878 numMergedOcc 0
45 mol 228 unq 2 iso 1 dist 8.53764 5.93014 8.06181 10.1917 8.37287 4.81881 11.9013 7.84881 9.3302 6.68878 numMergedOcc 0
46 mol 228 unq 1 iso 0 dist 8.38048 7.09673 7.65132 6.5952 8.37287 11.1604 6.49596 7.84881 6.30327 6.68878 numMergedOcc 0
47 mol 228 unq 1 iso 1 dist 7.65132 7.09673 8.38048 11.1604 8.37287 6.5952 6.30327 7.84881 6.49596 6.68878 numMergedOcc 0
48 mol 228 unq 2 iso 0 dist 8.38048 6.61579 8.53764 6.5952 8.37287 10.1917 6.49596 7.84881 11.9013 6.68878 numMergedOcc 0
49 mol 228 unq 2 iso 1 dist 8.53764 6.61579 8.38048 10.1917 8.37287 6.5952 11.9013 7.84881 6.49596 6.68878 numMergedOcc 0
50 mol 228 unq 2 iso 0 dist 7.65132 10.2985 8.53764 11.1604 8.37287 10.1917 6.30327 7.84881 11.9013 6.68878 numMergedOcc 0
51 mol 228 unq 2 iso 1 dist 8.53764 10.2985 7.65132 10.1917 8.37287 11.1604 11.9013 7.84881 6.30327 6.68878 numMergedOcc 0
52 mol 228 unq 3 iso 0 dist 7.77367 5.42695 8.20909 4.75417 8.07174 6.53802 9.39743 7.86746 6.65033 6.64821 numMergedOcc 0
53 mol 228 unq 3 iso 1 dist 8.20909 5.42695 7.77367 6.53802 8.07174 4.75417 6.65033 7.86746 9.39743 6.64821 numMergedOcc 0
54 mol 228 unq 4 iso 0 dist 7.77367 11.3702 7.94506 4.75417 8.07174 11.0908 9.39743 7.86746 6.19376 6.64821 numMergedOcc 0
55 mol 228 unq 4 iso 1 dist 7.94506 11.3702 7.77367 11.0908 8.07174 4.75417 6.19376 7.86746 9.39743 6.64821 numMergedOcc 0
56 mol 228 unq 5 iso 0 dist 7.77367 6.001 8.15494 4.75417 8.07174 10.0837 9.39743 7.86746 11.8243 6.64821 numMergedOcc 0
57 mol 228 unq 5 iso 1 dist 8.15494 6.001 7.77367 10.0837 8.07174 4.75417 11.8243 7.86746 9.39743 6.64821 numMergedOcc 0
58 mol 228 unq 4 iso 0 dist 8.20909 7.22215 7.94506 6.53802 8.07174 11.0908 6.65033 7.86746 6.19376 6.64821 numMergedOcc 0
59 mol 228 unq 4 iso 1 dist 7.94506 7.22215 8.20909 11.0908 8.07174 6.53802 6.19376 7.86746 6.65033 6.64821 numMergedOcc 0
60 mol 228 unq 5 iso 0 dist 8.20909 6.44695 8.15494 6.53802 8.07174 10.0837 6.65033 7.86746 11.8243 6.64821 numMergedOcc 0
61 mol 228 unq 5 iso 1 dist 8.15494 6.44695 8.20909 10.0837 8.07174 6.53802 11.8243 7.86746 6.65033 6.64821 numMergedOcc 0
62 mol 228 unq 5 iso 0 dist 7.94506 10.3635 8.15494 11.0908 8.07174 10.0837 6.19376 7.86746 11.8243 6.64821 numMergedOcc 0
63 mol 228 unq 5 iso 1 dist 8.15494 10.3635 7.94506 10.0837 8.07174 11.0908 11.8243 7.86746 6.19376 6.64821 numMergedOcc 0
64 mol 238 unq 0 iso 0 dist 8.96531 12.9854 7.02475 4.65297 6.65088 8.82861 5.79187 6.85253 10.4966 6.29757 numMergedOcc 0
65 mol 238 unq 0 iso 1 dist 7.02475 12.9854 8.96531 8.82861 6.65088 4.65297 10.4966 6.85253 5.79187 6.29757 numMergedOcc 0
66 mol 238 unq 1 iso 0 dist 7.49471 5.34096 7.19008 12.1252 6.17025 8.82861 12.7938 5.43613 11.0772 4.02449 numMergedOcc 0
67 mol 238 unq 1 iso 1 dist 7.19008 5.34096 7.49471 8.82861 6.17025 12.1252 11.0772 5.43613 12.7938 4.02449 numMergedOcc 0
68 mol 238 unq 2 iso 0 dist 7.49471 5.34096 7.19008 12.1252 6.17025 8.82861 6.82305 7.24334 5.71717 9.79637 numMergedOcc 0
69 mol 238 unq 2 iso 1 dist 7.19008 5.34096 7.49471 8.82861 6.17025 12.1252 5.71717 7.24334 6.82305 9.79637 numMergedOcc 0
