0 mol 21 unq 0 iso 0 dist 7.38586 8.83918 9.34916 5.62318 6.08338 10.8106 numMergedOcc 0
1 mol 75 unq 0 iso 0 dist 7.14313 11.2541 7.49283 5.2027 6.33365 8.72784 numMergedOcc 0
2 mol 75 unq 1 iso 0 dist 7.14313 11.2541 7.49283 6.77761 5.15851 9.14798 numMergedOcc 0
3 mol 75 unq 2 iso 0 dist 8.26819 7.91223 7.49283 12.5382 6.33365 8.72784 numMergedOcc 0
4 mol 75 unq 3 iso 0 dist 8.26819 7.91223 7.49283 5.56574 5.15851 9.14798 numMergedOcc 0
5 mol 99 unq 0 iso 0 dist 9.46619 8.61334 8.86001 11.4646 7.72108 12.0573 numMergedOcc 0
6 mol 99 unq 1 iso 0 dist 9.46619 12.2155 9.36749 11.4646 7.72108 10.7947 numMergedOcc 0
7 mol 107 unq 0 iso 0 dist 9.31826 15.5768 9.25873 13.5052 8.40312 5.13248 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 8.81198 14.3396 9.68866 12.0855 6.87861 4.12752 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 8.81198 14.3396 9.68866 5.74878 6.50039 11.6346 numMergedOcc 0
10 mol 173 unq 0 iso 0 dist 7.33162 11.9303 9.13913 7.92818 7.93331 13.5954 numMergedOcc 0
11 mol 173 unq 1 iso 0 dist 7.33162 11.9303 9.13913 8.40346 6.98095 9.29369 numMergedOcc 0
12 mol 173 unq 2 iso 0 dist 7.33162 11.9303 9.13913 11.3291 8.31897 15.713 numMergedOcc 0
13 mol 194 unq 0 iso 0 dist 8.40972 11.914 9.61621 5.55582 6.15769 7.67708 numMergedOcc 0
14 mol 194 unq 1 iso 0 dist 7.03163 7.53784 9.61621 6.12629 6.15769 7.67708 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 5.00266 6.40358 8.57161 6.19375 6.99002 9.20027 numMergedOcc 0
16 mol 224 unq 0 iso 0 dist 8.76325 10.8164 9.97425 6.87755 7.06793 11.8217 numMergedOcc 0
17 mol 224 unq 1 iso 0 dist 8.76325 8.8161 8.39753 6.87755 7.06793 11.9904 numMergedOcc 0
18 mol 224 unq 2 iso 0 dist 8.85101 8.30109 9.97425 11.0252 7.06793 11.8217 numMergedOcc 0
19 mol 224 unq 3 iso 0 dist 8.85101 3.92881 8.39753 11.0252 7.06793 11.9904 numMergedOcc 0
20 mol 228 unq 0 iso 0 dist 9.91303 3.61254 7.39392 14.0089 9.42615 12.4165 numMergedOcc 0
21 mol 228 unq 1 iso 0 dist 4.55699 7.41837 7.39392 5.85714 9.42615 12.4165 numMergedOcc 0
22 mol 228 unq 2 iso 0 dist 8.10816 14.6257 8.04854 5.85714 8.06181 11.6016 numMergedOcc 0
23 mol 228 unq 3 iso 0 dist 8.10816 14.6257 8.04854 10.5025 8.38048 9.07296 numMergedOcc 0
24 mol 228 unq 4 iso 0 dist 8.10816 14.6257 8.04854 14.2891 7.65132 6.03966 numMergedOcc 0
25 mol 228 unq 5 iso 0 dist 8.10816 14.6257 8.04854 10.0386 8.53764 7.74541 numMergedOcc 0
26 mol 228 unq 6 iso 0 dist 7.81837 6.25558 8.04854 14.5035 8.06181 11.6016 numMergedOcc 0
27 mol 228 unq 7 iso 0 dist 7.81837 6.25558 8.04854 11.9658 8.38048 9.07296 numMergedOcc 0
28 mol 228 unq 8 iso 0 dist 7.81837 6.25558 8.04854 5.84747 7.65132 6.03966 numMergedOcc 0
29 mol 228 unq 9 iso 0 dist 7.81837 6.25558 8.04854 12.7016 8.53764 7.74541 numMergedOcc 0
30 mol 228 unq 10 iso 0 dist 7.95486 14.736 8.08612 5.79543 7.77367 11.6723 numMergedOcc 0
31 mol 228 unq 11 iso 0 dist 7.95486 14.736 8.08612 10.4968 8.20909 9.04318 numMergedOcc 0
32 mol 228 unq 12 iso 0 dist 7.95486 14.736 8.08612 14.5051 7.94506 6.25423 numMergedOcc 0
33 mol 228 unq 13 iso 0 dist 7.95486 14.736 8.08612 10.0847 8.15494 7.61976 numMergedOcc 0
34 mol 228 unq 14 iso 0 dist 4.42593 7.17017 7.56863 5.79543 9.06121 12.0882 numMergedOcc 0
35 mol 228 unq 15 iso 0 dist 7.97746 6.31197 8.08612 14.4066 7.77367 11.6723 numMergedOcc 0
36 mol 228 unq 16 iso 0 dist 7.97746 6.31197 8.08612 11.8013 8.20909 9.04318 numMergedOcc 0
37 mol 228 unq 17 iso 0 dist 7.97746 6.31197 8.08612 5.70777 7.94506 6.25423 numMergedOcc 0
38 mol 228 unq 18 iso 0 dist 7.97746 6.31197 8.08612 12.5209 8.15494 7.61976 numMergedOcc 0
39 mol 247 unq 0 iso 0 dist 9.70618 17.582 9.88695 5.61078 6.6838 14.0109 numMergedOcc 0
40 mol 259 unq 0 iso 0 dist 9.44826 14.9747 9.418 7.02254 7.50578 15.6082 numMergedOcc 0
41 mol 259 unq 1 iso 0 dist 9.44826 6.25578 8.10823 7.02254 7.50578 10.5525 numMergedOcc 0
42 mol 294 unq 0 iso 0 dist 8.05845 10.658 9.17225 6.6414 9.03492 5.57044 numMergedOcc 0
43 mol 294 unq 1 iso 0 dist 8.73893 17.576 9.17225 15.587 9.03492 5.57044 numMergedOcc 0
