0 mol 48 unq 0 iso 0 dist 7.4343 6.5214 9.04514 6.39142 5.35252 9.66389 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 7.05327 6.41876 9.14072 6.64431 5.06188 9.90363 numMergedOcc 0
2 mol 53 unq 0 iso 0 dist 6.86092 10.3698 9.09831 4.79821 6.70095 6.76039 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 7.45482 11.5723 8.6338 6.28699 8.8795 10.0633 numMergedOcc 0
4 mol 61 unq 1 iso 0 dist 7.45482 3.60123 7.31677 6.28699 8.8795 6.30737 numMergedOcc 0
5 mol 83 unq 0 iso 0 dist 7.6104 10.5201 6.77845 13.468 7.2118 9.39588 numMergedOcc 0
6 mol 83 unq 1 iso 0 dist 7.6104 7.36012 5.48555 13.468 7.2118 12.0034 numMergedOcc 0
7 mol 83 unq 2 iso 0 dist 7.6104 12.5239 5.39805 13.468 7.2118 6.61275 numMergedOcc 0
8 mol 99 unq 0 iso 0 dist 5.57391 6.27172 5.61946 4.73115 8.68674 6.02095 numMergedOcc 0
9 mol 116 unq 0 iso 0 dist 7.7367 12.5032 9.62357 5.73517 6.61973 15.1223 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.13917 11.0718 9.56319 4.61198 8.8353 14.3149 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 9.13917 17.2439 9.73038 4.61198 8.8353 17.9749 numMergedOcc 0
12 mol 133 unq 2 iso 0 dist 6.29879 9.45934 6.9268 6.92975 5.79195 8.75242 numMergedOcc 0
13 mol 133 unq 3 iso 0 dist 6.29879 9.45934 6.9268 6.53637 9.2759 14.0828 numMergedOcc 0
14 mol 133 unq 4 iso 0 dist 6.29879 9.45934 6.9268 11.1722 8.76088 15.4372 numMergedOcc 0
15 mol 133 unq 5 iso 0 dist 6.29879 5.10912 8.19166 6.92975 5.79195 6.45333 numMergedOcc 0
16 mol 133 unq 6 iso 0 dist 6.29879 5.10912 8.19166 6.53637 9.2759 11.5586 numMergedOcc 0
17 mol 133 unq 7 iso 0 dist 6.29879 5.10912 8.19166 11.1722 8.76088 14.3705 numMergedOcc 0
18 mol 159 unq 0 iso 0 dist 9.5915 9.93454 7.52779 9.65752 9.9368 10.242 numMergedOcc 0
19 mol 167 unq 0 iso 0 dist 6.26373 6.01114 6.28957 4.72853 7.20545 5.44954 numMergedOcc 0
20 mol 167 unq 1 iso 0 dist 6.26373 9.04662 7.34285 4.72853 7.20545 9.15105 numMergedOcc 0
21 mol 187 unq 0 iso 0 dist 9.90752 8.44179 7.87608 9.38569 8.0501 8.91643 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 7.32876 6.19911 8.43002 9.77666 8.57274 6.30651 numMergedOcc 0
23 mol 279 unq 0 iso 0 dist 8.12646 6.83789 9.16172 4.91933 7.83793 6.04816 numMergedOcc 0
24 mol 293 unq 0 iso 0 dist 8.84911 4.35498 8.04021 11.1018 9.65156 6.89397 numMergedOcc 0
