0 mol 30 unq 0 iso 0 dist 8.21595 5.77009 8.7817 13.5935 10.8374 8.58568 12.8569 14.3077 7.57624 8.06019 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 9.60744 5.77009 7.55415 13.5935 7.95173 8.58568 12.8569 10.3139 7.57624 8.06019 numMergedOcc 0
2 mol 42 unq 0 iso 0 dist 6.86731 8.13252 9.16649 11.2084 9.34878 6.25866 9.54121 5.65461 6.83373 4.04769 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 8.96238 6.5705 6.77886 9.50913 10.9467 5.86571 12.229 9.56076 9.53772 7.35201 numMergedOcc 0
4 mol 56 unq 1 iso 0 dist 8.96238 6.5705 6.77886 9.50913 10.9467 5.86571 7.49284 11.2895 7.3576 4.30611 numMergedOcc 0
5 mol 111 unq 0 iso 0 dist 9.04546 10.1874 7.71107 15.587 7.59143 9.41723 14.0997 6.3561 6.98727 4.98364 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 8.62648 8.9683 8.56342 16.6083 10.0197 9.87025 13.8337 6.42493 8.81779 4.15435 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 8.62648 8.9683 8.56342 12.5653 10.6679 5.85818 13.8337 6.42493 8.81779 9.54775 numMergedOcc 0
8 mol 159 unq 0 iso 0 dist 7.47975 9.78249 7.25742 10.4366 4.57561 7.13269 14.2266 7.44124 8.02691 7.15698 numMergedOcc 0
9 mol 171 unq 0 iso 0 dist 7.13441 6.15895 5.10618 10.8582 6.05805 5.73148 12.6173 11.8746 7.75632 10.2914 numMergedOcc 0
10 mol 205 unq 0 iso 0 dist 6.15806 6.37333 5.60393 7.70781 6.23291 5.42696 8.09352 9.41884 6.61806 4.13682 numMergedOcc 0
11 mol 205 unq 1 iso 0 dist 6.15806 6.37333 5.60393 7.70781 6.23291 5.42696 14.0968 12.3578 7.85966 10.0576 numMergedOcc 0
12 mol 227 unq 0 iso 0 dist 9.60159 11.2986 8.38865 17.394 9.60993 9.20589 13.5176 6.21901 7.14633 8.85098 numMergedOcc 0
13 mol 227 unq 1 iso 0 dist 9.60159 11.2986 8.38865 17.394 9.60993 9.20589 12.484 13.798 9.94302 13.7364 numMergedOcc 0
14 mol 227 unq 2 iso 0 dist 9.60159 11.2986 8.38865 15.267 13.3557 7.89801 13.5176 6.21901 7.14633 13.8875 numMergedOcc 0
15 mol 227 unq 3 iso 0 dist 9.60159 11.2986 8.38865 15.267 13.3557 7.89801 12.484 13.798 9.94302 5.45009 numMergedOcc 0
16 mol 240 unq 0 iso 0 dist 9.68888 17.2138 9.47583 18.5604 10.7371 8.33853 15.7896 11.6095 7.35934 9.47269 numMergedOcc 0
17 mol 240 unq 1 iso 0 dist 9.68888 17.2138 9.47583 21.1968 13.9225 5.66537 15.7896 11.6095 7.35934 7.29448 numMergedOcc 0
