0 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 5.86882 10.0889 5.47982 4.32034 7.33768 9.69752 9.921 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.86014 6.60423 6.00575 5.86882 10.0889 5.47982 8.52463 7.29868 9.36461 11.3314 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.86116 6.60423 5.97304 5.86882 6.07553 5.47982 4.32034 12.9284 9.69752 9.921 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 8.86116 6.60423 5.97304 5.86882 6.07553 5.47982 8.52463 8.60554 9.36461 11.3314 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 5.54419 4.93188 4.33963 7.6222 8.80127 4.87192 5.11617 8.4051 4.90592 3.4435 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 5.54419 4.93188 4.33963 7.6222 8.80127 4.87192 10.8238 8.75662 8.16324 7.63657 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 7.36323 9.24958 4.33963 11.7026 8.80127 4.87192 13.2229 8.4051 4.90592 3.4435 numMergedOcc 0
7 mol 24 unq 7 iso 0 dist 7.36323 9.24958 4.33963 11.7026 8.80127 4.87192 6.7828 8.75662 8.16324 7.63657 numMergedOcc 0
8 mol 56 unq 0 iso 0 dist 8.66265 6.77886 6.03623 9.56076 15.1703 9.53772 10.0962 11.8747 6.99108 8.64891 numMergedOcc 0
9 mol 56 unq 1 iso 0 dist 8.66265 6.77886 6.03623 11.2895 12.3361 7.3576 10.0962 11.8747 6.99108 10.4286 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 9.38498 7.04044 15.7304 8.00278 16.2514 9.22853 5.11416 13.8696 6.48232 4.10173 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 9.96396 7.04044 8.26458 8.00278 13.1245 9.22853 5.11416 9.24757 6.48232 4.10173 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 6.19304 8.73253 8.26458 10.4159 13.1245 9.22853 6.56633 9.24757 6.48232 4.10173 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 9.75218 7.04044 8.35241 8.00278 16.0336 9.22853 5.11416 13.0145 6.48232 4.10173 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 7.97049 7.1589 6.37974 5.46695 8.77199 6.00564 9.29301 9.82915 8.70863 4.58085 numMergedOcc 0
15 mol 85 unq 1 iso 0 dist 7.95579 8.00777 5.08358 6.62562 8.81824 6.00564 11.165 12.0078 8.70863 4.58085 numMergedOcc 0
16 mol 85 unq 2 iso 0 dist 6.19965 7.1589 5.08358 5.46695 8.81824 6.00564 9.29301 12.0078 8.70863 4.58085 numMergedOcc 0
17 mol 120 unq 0 iso 0 dist 8.75408 8.93905 7.27181 12.4334 14.1585 9.23243 8.2619 11.9051 6.03352 6.93115 numMergedOcc 0
18 mol 120 unq 1 iso 0 dist 6.44653 8.93905 10.5192 12.4334 16.1123 9.23243 8.2619 13.082 6.03352 6.93115 numMergedOcc 0
19 mol 175 unq 0 iso 0 dist 9.29945 8.0154 4.24624 13.4456 6.62757 6.59925 6.29885 10.7017 8.05247 11.3868 numMergedOcc 0
20 mol 175 unq 1 iso 0 dist 9.29945 8.0154 4.24624 13.4456 6.62757 6.59925 7.27408 9.39352 9.71028 11.3992 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 6.03031 8.44861 5.28092 12.2848 11.394 6.61806 13.0658 9.53629 9.17946 11.0113 numMergedOcc 0
22 mol 205 unq 1 iso 0 dist 6.03031 8.44861 5.28092 9.73907 7.23959 7.85966 13.0658 9.53629 9.17946 3.5693 numMergedOcc 0
23 mol 205 unq 2 iso 0 dist 7.26832 5.60393 5.28092 9.41884 11.394 6.61806 14.4523 9.53629 9.17946 11.0113 numMergedOcc 0
24 mol 205 unq 3 iso 0 dist 7.26832 5.60393 5.28092 12.3578 7.23959 7.85966 14.4523 9.53629 9.17946 3.5693 numMergedOcc 0
25 mol 230 unq 0 iso 0 dist 6.7547 6.41286 6.20661 10.3804 13.259 7.81987 6.33877 10.9672 8.34416 11.3876 numMergedOcc 0
26 mol 230 unq 1 iso 0 dist 6.7547 6.41286 6.20661 10.3804 13.259 7.81987 5.0515 10.3657 6.34832 6.78617 numMergedOcc 0
27 mol 252 unq 0 iso 0 dist 7.19638 6.86945 5.25252 3.6688 6.38733 8.62955 6.35641 11.0831 7.39391 9.96528 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 6.60405 6.70815 7.42673 9.34197 12.9131 8.65191 10.8558 15.8417 9.91199 6.08477 numMergedOcc 0
29 mol 258 unq 1 iso 0 dist 6.42289 7.99477 7.42673 8.40328 12.9131 8.65191 13.2927 15.8417 9.91199 6.08477 numMergedOcc 0
30 mol 261 unq 0 iso 0 dist 9.14619 5.26434 6.04016 7.83541 13.0961 7.75255 7.39176 10.7876 8.61563 7.44855 numMergedOcc 0
31 mol 261 unq 1 iso 0 dist 9.14619 5.26434 6.04016 10.6727 12.4461 8.96013 7.39176 10.7876 8.61563 6.79825 numMergedOcc 0
32 mol 261 unq 2 iso 0 dist 8.45658 8.60026 6.04016 14.5304 13.0961 7.75255 12.8544 10.7876 8.61563 7.44855 numMergedOcc 0
33 mol 261 unq 3 iso 0 dist 8.45658 8.60026 6.04016 16.5975 12.4461 8.96013 12.8544 10.7876 8.61563 6.79825 numMergedOcc 0
