0 mol 14 unq 0 iso 0 dist 6.11408 5.35021 5.16461 9.54103 10.6867 12.1744 numMergedOcc 0
1 mol 42 unq 0 iso 0 dist 6.30589 8.71965 5.23686 9.50568 11.5212 13.3791 numMergedOcc 0
2 mol 86 unq 0 iso 0 dist 8.4254 9.34342 8.49831 8.8236 11.1987 5.9581 numMergedOcc 0
3 mol 87 unq 0 iso 0 dist 5.92576 6.73874 8.34979 9.99609 7.87504 15.177 numMergedOcc 0
4 mol 87 unq 1 iso 0 dist 5.92576 6.73874 8.34979 7.08616 10.9185 5.80857 numMergedOcc 0
5 mol 87 unq 2 iso 0 dist 5.92576 6.73874 8.34979 7.83182 11.5146 10.5488 numMergedOcc 0
6 mol 87 unq 3 iso 0 dist 8.70472 9.28786 12.5855 5.87044 5.17755 7.5266 numMergedOcc 0
7 mol 87 unq 4 iso 0 dist 8.70472 9.28786 12.5855 4.58684 9.6714 6.19637 numMergedOcc 0
8 mol 87 unq 5 iso 0 dist 8.70472 9.28786 12.5855 6.90348 8.07709 11.3571 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 9.15982 9.03707 4.45081 7.35639 14.849 12.5525 numMergedOcc 0
10 mol 124 unq 0 iso 0 dist 6.31232 9.69841 11.0785 7.3864 6.14262 5.30617 numMergedOcc 0
11 mol 124 unq 1 iso 0 dist 7.17224 9.69841 7.13014 7.3864 8.25721 5.30617 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 8.95717 6.30762 4.1643 8.98949 10.4812 10.1774 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 4.46578 6.90904 6.63023 6.53862 8.13581 5.32245 numMergedOcc 0
14 mol 180 unq 0 iso 0 dist 9.46309 9.1144 13.3482 9.9195 10.9958 9.33166 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 5.2376 8.77267 9.16344 9.92349 7.38726 13.0906 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 5.2376 8.77267 9.16344 9.70779 10.0087 4.56028 numMergedOcc 0
17 mol 226 unq 0 iso 0 dist 7.6174 6.93858 11.8711 9.82101 12.0828 9.19013 numMergedOcc 0
18 mol 241 unq 0 iso 0 dist 8.89382 8.10617 5.71803 8.73768 9.03227 10.9944 numMergedOcc 0
19 mol 260 unq 0 iso 0 dist 9.94532 4.49691 10.2094 7.68243 5.7487 5.94756 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 9.71938 8.85653 10.4766 8.12646 4.27883 11.304 numMergedOcc 0
21 mol 282 unq 0 iso 0 dist 6.15396 7.89956 4.44911 9.73723 8.67143 7.80238 numMergedOcc 0
22 mol 282 unq 1 iso 0 dist 9.18964 7.89956 9.11051 9.73723 14.573 7.80238 numMergedOcc 0
23 mol 293 unq 0 iso 0 dist 6.02106 9.50932 6.64058 8.84911 5.48105 11.9388 numMergedOcc 0
24 mol 293 unq 1 iso 0 dist 8.27274 9.50932 10.2071 8.84911 4.88851 11.9388 numMergedOcc 0
