0 mol 32 unq 0 iso 0 dist 9.5209 7.48994 6.49199 6.00133 7.18766 9.65897 numMergedOcc 0
1 mol 32 unq 1 iso 0 dist 9.5209 7.48994 6.49199 14.8037 7.48825 13.9281 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.4815 6.887 10.4688 9.12499 8.55901 8.38156 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 5.77643 5.51172 4.22398 7.02939 8.55901 5.91068 numMergedOcc 0
4 mol 34 unq 2 iso 0 dist 5.77643 5.51172 4.22398 6.08327 9.03412 10.6693 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 8.73104 8.12626 6.16918 7.08244 8.06829 11.8536 numMergedOcc 0
6 mol 64 unq 1 iso 0 dist 9.31622 8.12626 8.14214 6.26981 8.4517 11.4708 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 9.36283 6.17349 9.00091 5.39389 7.99631 10.1174 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 9.36283 9.21978 6.04071 5.39389 7.99631 8.0168 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 6.33375 9.13631 11.3936 6.15672 6.4218 5.52149 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 6.96294 5.24228 6.37052 4.53891 8.55681 4.26972 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 6.96294 5.24228 6.37052 9.64591 6.2135 10.9757 numMergedOcc 0
12 mol 141 unq 2 iso 0 dist 7.1093 4.54218 4.22522 12.3074 6.2135 10.25 numMergedOcc 0
13 mol 141 unq 3 iso 0 dist 7.36421 8.36316 4.22522 9.581 6.2135 10.25 numMergedOcc 0
14 mol 157 unq 0 iso 0 dist 7.36432 8.51753 5.38303 6.83479 7.23499 6.4431 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 7.82604 9.19831 5.08641 9.09192 8.20656 12.6052 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 7.82604 9.19831 5.08641 12.1848 9.40622 12.7471 numMergedOcc 0
17 mol 213 unq 0 iso 0 dist 8.6925 9.27411 6.24057 9.26051 8.74171 13.2737 numMergedOcc 0
18 mol 213 unq 1 iso 0 dist 8.6925 5.81317 5.9858 9.26051 8.74171 11.2873 numMergedOcc 0
19 mol 218 unq 0 iso 0 dist 8.03194 5.4767 10.1772 4.40481 6.75035 8.61306 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 8.94219 7.9002 3.92979 4.42378 8.75834 8.91356 numMergedOcc 0
21 mol 225 unq 1 iso 0 dist 8.94219 7.9002 3.92979 13.2284 9.36396 9.59574 numMergedOcc 0
22 mol 233 unq 0 iso 0 dist 7.40764 9.79864 6.80416 10.0636 9.2911 14.7824 numMergedOcc 0
