0 mol 7 unq 0 iso 0 dist 6.8464 11.4481 7.88043 9.85147 5.99972 7.25346 9.15183 5.13353 12.8015 9.68006 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.8464 13.9708 8.80762 9.85147 5.99972 10.0658 9.15183 5.13353 12.5387 9.68006 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 5.68648 4.95703 7.92414 9.35502 7.03958 8.07902 16.336 12.4076 16.4393 8.53529 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 5.68648 4.95703 7.92414 9.35502 7.03958 8.07902 15.1676 10.9495 13.6835 7.18019 numMergedOcc 0
4 mol 8 unq 2 iso 0 dist 5.68648 4.95703 7.92414 9.35502 7.03958 8.07902 12.2649 8.09332 11.2464 8.44009 numMergedOcc 0
5 mol 8 unq 3 iso 0 dist 5.68648 9.55219 6.82379 9.35502 7.03958 5.65816 16.336 12.4076 7.3915 8.53529 numMergedOcc 0
6 mol 8 unq 4 iso 0 dist 5.68648 9.55219 6.82379 9.35502 7.03958 5.65816 15.1676 10.9495 10.6335 7.18019 numMergedOcc 0
7 mol 8 unq 5 iso 0 dist 5.68648 9.55219 6.82379 9.35502 7.03958 5.65816 12.2649 8.09332 11.7258 8.44009 numMergedOcc 0
8 mol 65 unq 0 iso 0 dist 9.16749 6.18352 5.69971 5.82003 7.90294 6.00418 14.2989 14.4691 12.0267 9.34791 numMergedOcc 0
9 mol 65 unq 1 iso 0 dist 9.16749 6.18352 5.69971 5.82003 7.90294 6.00418 12.7218 10.2941 8.37515 8.22785 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 9.67557 7.39648 7.33422 13.5302 7.54568 6.85215 19.3849 10.1164 14.9249 9.39864 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 8.97762 6.3168 6.76699 11.4871 6.16242 9.34112 15.4305 7.81217 11.1595 5.87634 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 8.86784 6.20072 5.53031 12.3839 7.80532 8.98004 13.8807 5.79898 10.0513 5.83771 numMergedOcc 0
13 mol 170 unq 0 iso 0 dist 9.32245 11.0716 8.15099 4.11212 6.35982 7.29587 11.0677 6.52462 9.05166 9.10511 numMergedOcc 0
14 mol 195 unq 0 iso 0 dist 7.04524 4.52076 7.62942 8.71774 9.26504 6.0634 10.999 10.7531 6.60567 7.36683 numMergedOcc 0
15 mol 206 unq 0 iso 0 dist 8.95375 11.157 8.70977 11.6019 7.75885 10.7023 8.11407 5.63422 12.3357 6.16414 numMergedOcc 0
16 mol 206 unq 1 iso 0 dist 9.29007 7.41593 8.70977 6.64436 7.75885 10.7023 11.3921 5.63422 12.3357 6.16414 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 8.6771 6.60696 6.66971 6.12869 7.57812 4.77308 13.7175 10.0191 7.32982 9.24557 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 7.57187 11.2853 9.1925 12.7787 9.63959 4.22544 19.1329 12.4198 11.3842 9.96262 numMergedOcc 0
19 mol 258 unq 1 iso 0 dist 7.57187 11.2853 9.1925 12.7787 9.63959 4.22544 16.512 12.321 11.3331 7.21311 numMergedOcc 0
20 mol 278 unq 0 iso 0 dist 6.84604 5.02589 7.67245 10.7698 6.62841 13.537 11.8771 8.29447 12.4198 8.00673 numMergedOcc 0
