0 mol 17 unq 0 iso 0 dist 6.53817 9.78918 5.67637 10.8117 9.78331 7.25951 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 6.53817 6.80314 4.03817 10.8117 9.78331 7.92012 numMergedOcc 0
2 mol 17 unq 2 iso 0 dist 9.81769 9.78918 9.78461 10.8117 12.567 7.25951 numMergedOcc 0
3 mol 17 unq 3 iso 0 dist 9.81769 6.80314 5.12703 10.8117 12.567 7.92012 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 5.36645 6.42242 8.82805 13.5334 13.1848 8.19993 numMergedOcc 0
5 mol 53 unq 0 iso 0 dist 8.94173 8.5021 9.59418 8.14661 13.0037 8.81982 numMergedOcc 0
6 mol 53 unq 1 iso 0 dist 8.94173 8.5021 9.59418 8.80086 10.2736 8.94227 numMergedOcc 0
7 mol 60 unq 0 iso 0 dist 8.8058 8.04272 7.04075 11.6385 11.816 8.97364 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 5.79954 6.66506 5.11416 12.6525 12.1382 8.87464 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 8.20865 7.98039 10.4027 9.83193 7.5242 7.14031 numMergedOcc 0
10 mol 102 unq 0 iso 0 dist 7.48277 9.2062 10.6281 13.32 16.7818 8.88394 numMergedOcc 0
11 mol 102 unq 1 iso 0 dist 9.0361 9.2062 4.48396 13.32 8.31932 8.88394 numMergedOcc 0
12 mol 125 unq 0 iso 0 dist 9.63302 7.00113 7.43922 6.22139 12.7356 6.11502 numMergedOcc 0
13 mol 125 unq 1 iso 0 dist 9.63302 9.85979 11.0769 6.22139 12.7356 6.33431 numMergedOcc 0
14 mol 171 unq 0 iso 0 dist 6.01711 6.4751 11.5561 5.72737 11.1373 7.22518 numMergedOcc 0
15 mol 171 unq 1 iso 0 dist 6.01711 6.4751 11.5561 6.4423 9.61462 5.25109 numMergedOcc 0
16 mol 171 unq 2 iso 0 dist 6.01711 5.75085 10.844 5.72737 11.1373 7.58499 numMergedOcc 0
17 mol 171 unq 3 iso 0 dist 6.01711 5.75085 10.844 6.4423 9.61462 8.21618 numMergedOcc 0
18 mol 271 unq 0 iso 0 dist 8.32351 5.75889 5.53238 6.38496 8.98576 5.92274 numMergedOcc 0
19 mol 280 unq 0 iso 0 dist 8.40961 9.38952 6.19336 5.87081 9.76787 6.73712 numMergedOcc 0
20 mol 280 unq 1 iso 0 dist 8.40961 9.38952 6.19336 10.1012 10.7346 9.35704 numMergedOcc 0
21 mol 284 unq 0 iso 0 dist 8.08993 4.87349 10.6664 6.50962 14.5221 7.34931 numMergedOcc 0
22 mol 284 unq 1 iso 0 dist 7.34344 4.87349 4.50325 6.50962 6.78191 7.34931 numMergedOcc 0
