0 mol 24 unq 0 iso 0 dist 6.32779 9.04898 4.39474 8.95376 7.70921 10.8246 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.94728 6.03041 10.5428 8.52839 6.76125 8.74779 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.94728 7.47051 3.68354 8.52839 6.76125 4.97879 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 9.33902 6.03041 11.5035 8.52839 11.8773 8.74779 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 9.33902 7.47051 11.3998 8.52839 11.8773 4.97879 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 9.22609 8.38463 7.1113 7.76666 12.0171 5.93759 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 7.38568 9.52334 4.76214 7.63894 8.09188 12.6488 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 6.4081 7.27074 3.8075 8.70685 6.85756 10.4609 numMergedOcc 0
8 mol 108 unq 0 iso 0 dist 9.81705 9.33337 10.0665 9.98276 6.87606 6.05347 numMergedOcc 0
9 mol 108 unq 1 iso 0 dist 9.81705 9.33337 10.0665 8.0671 8.87911 10.7765 numMergedOcc 0
10 mol 108 unq 2 iso 0 dist 6.32309 9.33337 6.5597 9.98276 9.85061 6.05347 numMergedOcc 0
11 mol 108 unq 3 iso 0 dist 6.32309 9.33337 6.5597 8.0671 4.80777 10.7765 numMergedOcc 0
12 mol 108 unq 4 iso 0 dist 8.60437 9.33337 3.6703 9.98276 6.69989 6.05347 numMergedOcc 0
13 mol 108 unq 5 iso 0 dist 8.60437 9.33337 3.6703 8.0671 7.57371 10.7765 numMergedOcc 0
14 mol 108 unq 6 iso 0 dist 5.8711 8.07863 4.40009 6.72426 6.01373 6.38768 numMergedOcc 0
15 mol 120 unq 0 iso 0 dist 9.61273 9.64066 5.47938 8.26098 5.57363 4.68752 numMergedOcc 0
16 mol 124 unq 0 iso 0 dist 7.24083 5.03702 8.83242 9.11203 5.77455 7.25244 numMergedOcc 0
17 mol 124 unq 1 iso 0 dist 7.24083 5.03702 8.83242 5.49109 6.60073 6.15363 numMergedOcc 0
18 mol 182 unq 0 iso 0 dist 7.37431 6.17569 7.45392 6.78113 6.38456 6.43932 numMergedOcc 0
19 mol 183 unq 0 iso 0 dist 9.51356 9.74975 11.0379 7.48868 5.61285 11.8704 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 5.52744 9.44052 5.81649 9.67802 7.74227 11.0195 numMergedOcc 0
21 mol 196 unq 0 iso 0 dist 5.6789 8.47894 6.92142 5.89229 3.93821 5.15809 numMergedOcc 0
22 mol 196 unq 1 iso 0 dist 5.6789 8.47894 6.92142 9.30663 14.0013 11.7647 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 9.64578 8.00415 10.9092 5.6619 6.92708 8.5811 numMergedOcc 0
24 mol 239 unq 1 iso 0 dist 7.02833 8.00415 7.3483 5.6619 5.1292 8.5811 numMergedOcc 0
25 mol 247 unq 0 iso 0 dist 6.52457 6.16117 3.56045 8.18935 9.46245 10.5719 numMergedOcc 0
