0 mol 7 unq 0 iso 0 dist 5.80034 14.8431 9.85726 16.0341 10.4879 7.32392 numMergedOcc 0
1 mol 13 unq 0 iso 0 dist 6.6621 13.4043 7.97656 10.1678 4.42362 6.44408 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 7.87317 11.9718 6.87871 12.8852 5.41061 5.2422 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 8.44831 14.5558 9.74996 23.7348 17.5747 9.37094 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 8.21723 4.98967 8.0614 5.09725 4.19771 6.09906 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 7.28942 15.3149 9.59261 10.2005 6.14241 5.85841 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 7.28942 15.3149 9.59261 13.1965 10.8152 6.78839 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 7.28942 6.69791 6.67936 10.2005 6.14241 7.00285 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 7.28942 6.69791 6.67936 13.1965 10.8152 8.02354 numMergedOcc 0
9 mol 110 unq 0 iso 0 dist 7.1891 7.92629 7.21229 15.49 9.93247 9.71948 numMergedOcc 0
10 mol 110 unq 1 iso 0 dist 7.67702 9.86374 7.21229 15.1805 9.93247 9.71948 numMergedOcc 0
11 mol 111 unq 0 iso 0 dist 5.05141 4.41283 8.42147 11.9145 13.7393 9.04546 numMergedOcc 0
12 mol 117 unq 0 iso 0 dist 5.38954 5.17524 7.70533 10.7189 10.7285 7.0318 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 7.97262 4.93029 6.42756 10.4709 3.81784 7.34465 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 5.82588 4.37081 6.42756 5.43078 3.81784 7.34465 numMergedOcc 0
15 mol 141 unq 2 iso 0 dist 9.90846 5.63656 6.42756 9.66101 3.81784 7.34465 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 9.02183 10.3296 6.43406 14.75 6.31839 9.18245 numMergedOcc 0
17 mol 210 unq 0 iso 0 dist 8.14413 5.06314 9.67457 13.4055 17.7409 8.71409 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 5.59164 5.77573 6.83152 9.27557 7.10888 6.06422 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 5.59164 4.67735 5.24313 8.99328 12.2489 7.64276 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 5.62744 9.00069 6.37342 10.6638 5.39741 8.61729 numMergedOcc 0
21 mol 249 unq 0 iso 0 dist 8.9281 5.0425 5.78121 6.23348 7.82195 7.72708 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 7.42888 5.29393 5.73296 7.96325 9.93782 8.40766 numMergedOcc 0
23 mol 258 unq 1 iso 0 dist 8.8726 6.60345 8.58088 10.3662 7.42035 8.9706 numMergedOcc 0
24 mol 264 unq 0 iso 0 dist 7.82276 4.53426 7.22789 9.03169 5.79293 6.85672 numMergedOcc 0
