0 mol 0 unq 0 iso 0 dist 6.80636 9.15248 8.31596 5.56852 5.88757 4.22598 11.5668 10.5877 12.7627 9.72725 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.23213 10.3034 6.3267 12.9149 8.66548 4.22598 15.3236 14.2251 12.7627 9.72725 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 6.85412 5.60154 9.29529 5.84314 9.71516 3.91075 8.57077 8.27962 8.47421 5.8245 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 6.33889 5.60154 7.2199 5.84314 9.81658 3.91075 8.57077 11.4878 8.47421 5.8245 numMergedOcc 0
4 mol 9 unq 2 iso 0 dist 6.33889 4.61049 6.9513 5.84314 9.81658 8.25089 8.57077 11.4878 12.6047 5.8245 numMergedOcc 0
5 mol 9 unq 3 iso 0 dist 6.33889 6.64015 9.16116 5.84314 9.81658 12.0874 8.57077 11.4878 14.9473 5.8245 numMergedOcc 0
6 mol 9 unq 4 iso 0 dist 6.33889 13.7377 8.47109 5.84314 9.81658 14.6279 8.57077 11.4878 16.8226 5.8245 numMergedOcc 0
7 mol 45 unq 0 iso 0 dist 9.20119 5.67689 8.59109 12.466 5.81001 11.9463 15.0348 7.39653 15.6951 5.94756 numMergedOcc 0
8 mol 45 unq 1 iso 0 dist 9.20119 16.2375 8.13782 12.466 5.81001 4.51883 15.0348 7.39653 6.99408 5.94756 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 9.33535 6.78077 8.80108 9.53718 7.03126 11.0945 17.3504 10.8078 16.0571 8.66539 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 9.33535 6.78077 8.80108 9.53718 7.03126 11.0945 12.0187 5.98837 10.335 5.38524 numMergedOcc 0
11 mol 58 unq 2 iso 0 dist 9.33535 6.78077 8.80108 9.53718 7.03126 11.0945 10.1508 4.55117 6.40841 8.69057 numMergedOcc 0
12 mol 58 unq 3 iso 0 dist 8.26899 6.75888 8.80108 5.61579 7.03126 11.0945 11.715 10.8078 16.0571 8.66539 numMergedOcc 0
13 mol 58 unq 4 iso 0 dist 8.26899 6.75888 8.80108 5.61579 7.03126 11.0945 6.81627 5.98837 10.335 5.38524 numMergedOcc 0
14 mol 58 unq 5 iso 0 dist 8.26899 6.75888 8.80108 5.61579 7.03126 11.0945 7.32874 4.55117 6.40841 8.69057 numMergedOcc 0
15 mol 72 unq 0 iso 0 dist 8.624 6.00418 9.19459 3.94376 5.4605 6.74416 10.8086 7.11552 7.321 9.55118 numMergedOcc 0
16 mol 72 unq 1 iso 0 dist 6.77912 9.0131 9.19459 5.69391 5.4605 6.74416 9.96708 7.11552 7.321 9.55118 numMergedOcc 0
17 mol 72 unq 2 iso 0 dist 7.321 7.11552 9.19459 7.47371 9.14817 9.88768 10.8086 6.00418 8.624 9.74228 numMergedOcc 0
18 mol 72 unq 3 iso 0 dist 7.321 7.11552 9.19459 7.47371 9.14817 9.88768 9.96708 9.0131 6.77912 7.12321 numMergedOcc 0
19 mol 72 unq 4 iso 0 dist 7.321 7.11552 9.19459 7.47371 9.14817 9.88768 9.78528 6.11922 11.9814 6.21799 numMergedOcc 0
20 mol 72 unq 5 iso 0 dist 7.321 7.11552 9.19459 9.67587 9.76686 12.9007 9.78528 6.11922 11.9814 5.03251 numMergedOcc 0
21 mol 72 unq 6 iso 0 dist 7.321 7.11552 9.19459 9.67587 9.76686 12.9007 15.1902 9.93049 15.4914 9.56773 numMergedOcc 0
22 mol 72 unq 7 iso 0 dist 7.321 7.11552 9.19459 7.07356 9.437 12.9235 9.78528 6.11922 11.9814 7.66093 numMergedOcc 0
23 mol 72 unq 8 iso 0 dist 7.321 7.17489 8.59747 7.47371 9.14817 12.6041 10.8086 6.00418 10.0983 9.74228 numMergedOcc 0
24 mol 72 unq 9 iso 0 dist 7.321 7.17489 8.59747 7.47371 9.14817 12.6041 9.96708 9.0131 10.4676 7.12321 numMergedOcc 0
25 mol 72 unq 10 iso 0 dist 7.321 7.17489 8.59747 7.47371 9.14817 12.6041 9.78528 6.11922 13.3943 6.21799 numMergedOcc 0
26 mol 72 unq 11 iso 0 dist 7.321 7.17489 8.59747 9.67587 9.76686 15.1279 9.78528 6.11922 13.3943 5.03251 numMergedOcc 0
27 mol 72 unq 12 iso 0 dist 7.321 7.17489 8.59747 9.67587 9.76686 15.1279 15.1902 9.93049 17.1463 9.56773 numMergedOcc 0
28 mol 72 unq 13 iso 0 dist 7.321 7.17489 8.59747 7.07356 9.437 13.879 9.78528 6.11922 13.3943 7.66093 numMergedOcc 0
29 mol 115 unq 0 iso 0 dist 7.76729 6.34759 7.99631 6.63111 8.0168 6.04071 9.33865 10.7942 12.0409 6.39384 numMergedOcc 0
30 mol 115 unq 1 iso 0 dist 7.76729 6.34759 7.99631 6.63111 8.0168 6.04071 5.83991 10.9739 11.8557 9.42082 numMergedOcc 0
31 mol 115 unq 2 iso 0 dist 7.76729 10.2377 6.40036 6.63111 8.0168 5.65471 9.33865 10.7942 7.64585 6.39384 numMergedOcc 0
32 mol 115 unq 3 iso 0 dist 7.76729 10.2377 6.40036 6.63111 8.0168 5.65471 5.83991 10.9739 12.2309 9.42082 numMergedOcc 0
33 mol 115 unq 4 iso 0 dist 7.64585 10.7942 6.40036 6.95773 7.65255 5.78043 9.33865 10.2377 7.76729 6.24825 numMergedOcc 0
34 mol 155 unq 0 iso 0 dist 7.39644 5.40375 7.37901 7.10286 5.36254 4.48516 10.7829 8.27726 7.51198 8.97626 numMergedOcc 0
35 mol 155 unq 1 iso 0 dist 7.36102 6.34186 7.37901 4.91785 5.36254 4.48516 6.43582 8.27726 7.51198 8.97626 numMergedOcc 0
36 mol 224 unq 0 iso 0 dist 8.19953 7.67202 4.55996 5.13732 5.73591 5.93269 6.61986 10.7113 12.6391 8.08349 numMergedOcc 0
37 mol 224 unq 1 iso 0 dist 8.19953 7.67202 4.55996 5.13732 5.73591 5.93269 13.4025 11.4252 14.4344 9.78218 numMergedOcc 0
38 mol 233 unq 0 iso 0 dist 9.43203 4.53103 9.2911 6.8325 6.01775 9.59241 15.159 8.96098 16.9774 8.51625 numMergedOcc 0
39 mol 234 unq 0 iso 0 dist 6.16063 5.9221 8.49841 13.1872 9.11572 11.8229 10.3625 5.56749 9.5707 7.81215 numMergedOcc 0
40 mol 234 unq 1 iso 0 dist 6.16063 5.9221 8.49841 13.1872 9.11572 11.8229 11.0622 8.0608 11.8897 5.64285 numMergedOcc 0
41 mol 238 unq 0 iso 0 dist 7.49471 12.1252 6.17025 12.7938 5.43613 4.02449 11.0896 5.54325 9.10743 6.99888 numMergedOcc 0
42 mol 238 unq 1 iso 0 dist 7.49471 12.1252 6.17025 12.7938 5.43613 4.02449 6.22714 5.17471 9.38422 9.08509 numMergedOcc 0
43 mol 238 unq 2 iso 0 dist 7.19008 8.82861 6.17025 11.0772 5.43613 4.02449 11.5794 5.54325 9.10743 6.99888 numMergedOcc 0
44 mol 238 unq 3 iso 0 dist 7.19008 8.82861 6.17025 11.0772 5.43613 4.02449 7.31233 5.17471 9.38422 9.08509 numMergedOcc 0
45 mol 272 unq 0 iso 0 dist 7.67853 5.7074 6.75716 5.12237 8.84523 10.2399 8.48753 6.64985 10.597 6.44147 numMergedOcc 0
46 mol 274 unq 0 iso 0 dist 9.19234 14.168 8.49866 8.87855 6.66172 5.70568 10.7806 5.31116 6.50589 6.4611 numMergedOcc 0
