0 mol 24 unq 0 iso 0 dist 8.3964 10.6642 4.90592 12.6611 5.11617 4.93188 7.84552 3.4435 4.87192 7.6222 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.3964 10.6642 4.90592 18.5238 13.2229 9.24958 7.84552 3.4435 4.87192 11.7026 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.3964 8.81498 9.36461 12.9306 8.52463 6.60423 13.5873 11.3314 5.47982 5.86882 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 8.3964 8.81498 9.36461 16.6009 14.6654 7.83786 13.5873 11.3314 5.47982 4.56797 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 6.66506 5.67493 6.48232 5.79954 5.11416 7.04044 7.55565 4.10173 9.22853 8.00278 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 6.66506 5.67493 6.48232 10.4766 6.56633 8.73253 7.55565 4.10173 9.22853 10.4159 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 9.18097 11.155 8.70863 17.8488 11.165 8.00777 12.0044 4.58085 6.00564 6.62562 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 9.18097 11.155 8.70863 15.5717 9.29301 7.1589 12.0044 4.58085 6.00564 5.46695 numMergedOcc 0
8 mol 85 unq 2 iso 0 dist 8.83135 15.3247 8.70863 14.3036 11.165 8.00777 10.1106 4.58085 6.00564 6.62562 numMergedOcc 0
9 mol 85 unq 3 iso 0 dist 8.83135 15.3247 8.70863 14.5836 9.29301 7.1589 10.1106 4.58085 6.00564 5.46695 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 6.6186 5.00872 8.57827 13.2395 13.534 8.65802 13.4599 11.3027 9.93806 5.44942 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 9.13614 5.02505 6.76575 7.4371 7.20706 8.67766 11.008 4.31811 7.04752 9.44195 numMergedOcc 0
12 mol 109 unq 1 iso 0 dist 9.13614 5.02505 6.76575 10.4795 5.35728 8.0831 11.008 4.31811 7.04752 4.26194 numMergedOcc 0
13 mol 120 unq 0 iso 0 dist 8.64019 6.87987 6.03352 10.3269 8.2619 8.93905 6.28208 6.93115 9.23243 12.4334 numMergedOcc 0
14 mol 162 unq 0 iso 0 dist 9.31025 7.6506 7.14263 9.89142 4.20425 6.20182 7.80955 8.06906 6.00293 5.05715 numMergedOcc 0
15 mol 162 unq 1 iso 0 dist 9.0087 8.07237 7.14263 10.8794 4.20425 6.20182 13.4949 8.06906 6.00293 5.05715 numMergedOcc 0
16 mol 162 unq 2 iso 0 dist 8.11292 13.9849 8.57005 13.9777 6.07158 6.20182 13.0314 6.76865 6.00293 5.05715 numMergedOcc 0
17 mol 162 unq 3 iso 0 dist 8.54006 7.2417 8.57005 10.282 6.07158 6.20182 6.66396 6.76865 6.00293 5.05715 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 6.23057 11.501 9.17946 17.993 13.0658 8.44861 11.7345 11.0113 6.61806 12.2848 numMergedOcc 0
19 mol 205 unq 1 iso 0 dist 6.23057 11.501 9.17946 17.993 13.0658 8.44861 9.49617 3.5693 7.85966 9.73907 numMergedOcc 0
20 mol 205 unq 2 iso 0 dist 6.23057 11.501 9.17946 17.0692 14.4523 5.60393 11.7345 11.0113 6.61806 9.41884 numMergedOcc 0
21 mol 205 unq 3 iso 0 dist 6.23057 11.501 9.17946 17.0692 14.4523 5.60393 9.49617 3.5693 7.85966 12.3578 numMergedOcc 0
22 mol 230 unq 0 iso 0 dist 8.85051 5.02022 6.34832 8.33847 5.0515 6.41286 7.5725 6.78617 7.81987 10.3804 numMergedOcc 0
23 mol 282 unq 0 iso 0 dist 8.42086 10.796 8.67489 11.1193 6.46616 5.23193 15.7414 13.6597 7.44686 7.35437 numMergedOcc 0
24 mol 282 unq 1 iso 0 dist 8.42086 10.796 8.67489 11.1193 6.46616 5.23193 17.8118 17.0693 9.82855 11.0422 numMergedOcc 0
25 mol 282 unq 2 iso 0 dist 8.42086 10.796 8.67489 11.1193 6.46616 5.23193 19.0631 16.027 8.62579 10.3109 numMergedOcc 0
26 mol 282 unq 3 iso 0 dist 7.84236 13.26 8.67489 12.9711 6.46616 5.23193 18.9712 13.6597 7.44686 7.35437 numMergedOcc 0
27 mol 282 unq 4 iso 0 dist 7.84236 13.26 8.67489 12.9711 6.46616 5.23193 21.5466 17.0693 9.82855 11.0422 numMergedOcc 0
28 mol 282 unq 5 iso 0 dist 7.84236 13.26 8.67489 12.9711 6.46616 5.23193 21.7756 16.027 8.62579 10.3109 numMergedOcc 0
