0 mol 5 unq 0 iso 0 dist 7.77059 11.7909 5.69239 9.83318 3.14155 7.56229 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 9.45559 8.41594 7.64769 8.90273 6.98653 8.87945 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 7.4332 8.41594 9.70883 8.90273 9.22937 8.87945 numMergedOcc 0
3 mol 10 unq 0 iso 0 dist 8.16906 4.84364 8.7908 9.77054 8.56896 6.77807 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 7.49794 11.8742 6.36817 16.7856 11.246 7.7927 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 7.49794 11.8742 6.36817 14.3131 9.92075 6.17378 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 8.10222 12.6437 6.36817 17.9077 11.246 7.7927 numMergedOcc 0
7 mol 48 unq 3 iso 0 dist 8.10222 12.6437 6.36817 17.4228 9.92075 6.17378 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 5.26566 5.08181 7.7485 10.0149 7.98805 8.19932 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 5.91098 11.6853 7.66068 6.97936 3.35924 5.45099 numMergedOcc 0
10 mol 76 unq 1 iso 0 dist 5.91098 15.0489 9.5043 6.97936 3.35924 8.44765 numMergedOcc 0
11 mol 76 unq 2 iso 0 dist 5.91098 14.2393 8.34132 6.97936 3.35924 9.06643 numMergedOcc 0
12 mol 76 unq 3 iso 0 dist 4.86523 4.94673 7.66068 5.00466 3.35924 5.45099 numMergedOcc 0
13 mol 76 unq 4 iso 0 dist 4.86523 5.78236 9.5043 5.00466 3.35924 8.44765 numMergedOcc 0
14 mol 76 unq 5 iso 0 dist 4.86523 4.73151 8.34132 5.00466 3.35924 9.06643 numMergedOcc 0
15 mol 79 unq 0 iso 0 dist 7.75543 6.51961 4.15789 11.1984 4.69555 7.92114 numMergedOcc 0
16 mol 79 unq 1 iso 0 dist 7.75543 6.51961 4.15789 13.835 6.49084 8.18375 numMergedOcc 0
17 mol 107 unq 0 iso 0 dist 7.2168 8.41816 8.88124 9.68222 5.88785 7.91251 numMergedOcc 0
18 mol 107 unq 1 iso 0 dist 7.2168 15.3177 8.19484 9.68222 5.88785 9.09262 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 6.97766 5.86994 4.87942 6.49577 4.79079 8.17928 numMergedOcc 0
20 mol 186 unq 1 iso 0 dist 4.79423 5.86994 7.25595 6.49577 3.60793 8.17928 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 8.77524 10.6524 8.32259 5.81438 5.80328 8.23717 numMergedOcc 0
22 mol 204 unq 1 iso 0 dist 8.77524 9.88337 9.93489 5.81438 5.80328 7.98864 numMergedOcc 0
23 mol 204 unq 2 iso 0 dist 9.26192 13.8736 9.93489 10.7033 4.05102 7.33774 numMergedOcc 0
24 mol 204 unq 3 iso 0 dist 9.26192 6.40044 7.64057 10.7033 4.05102 6.39122 numMergedOcc 0
25 mol 214 unq 0 iso 0 dist 9.53899 6.49466 7.42759 11.2556 4.16963 6.50654 numMergedOcc 0
26 mol 256 unq 0 iso 0 dist 6.33954 6.51471 5.58222 10.9981 4.96861 7.32564 numMergedOcc 0
27 mol 266 unq 0 iso 0 dist 7.36137 12.2408 7.8598 10.45 3.14784 7.72861 numMergedOcc 0
28 mol 266 unq 1 iso 0 dist 7.36137 13.1028 8.25286 10.45 3.14784 8.20376 numMergedOcc 0
29 mol 266 unq 2 iso 0 dist 6.83784 5.34431 7.8598 7.97711 3.14784 7.72861 numMergedOcc 0
30 mol 266 unq 3 iso 0 dist 6.83784 8.39575 8.25286 7.97711 3.14784 8.20376 numMergedOcc 0
31 mol 266 unq 4 iso 0 dist 4.95415 12.2408 7.80711 10.45 5.95721 7.72861 numMergedOcc 0
32 mol 266 unq 5 iso 0 dist 4.95415 13.1028 9.9965 10.45 5.95721 8.20376 numMergedOcc 0
33 mol 266 unq 6 iso 0 dist 6.38519 5.34431 7.80711 7.97711 5.95721 7.72861 numMergedOcc 0
34 mol 266 unq 7 iso 0 dist 6.38519 8.39575 9.9965 7.97711 5.95721 8.20376 numMergedOcc 0
35 mol 285 unq 0 iso 0 dist 4.95596 4.57431 5.88958 6.24134 10.5542 7.73438 numMergedOcc 0
36 mol 285 unq 1 iso 0 dist 6.3508 4.57431 7.78121 6.24134 12.5361 7.73438 numMergedOcc 0
