0 mol 5 unq 0 iso 0 dist 9.83318 11.7909 7.56229 7.77059 3.14155 5.69239 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 7.74463 11.1641 6.77807 12.2011 8.56896 8.7908 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.14598 14.3935 7.7447 18.8702 11.1587 8.25818 numMergedOcc 0
3 mol 28 unq 0 iso 0 dist 7.2551 13.6047 9.2146 19.8512 16.4255 8.53424 numMergedOcc 0
4 mol 28 unq 1 iso 0 dist 7.2551 13.6047 9.2146 19.7793 16.0765 7.08766 numMergedOcc 0
5 mol 28 unq 2 iso 0 dist 7.2551 13.6047 9.2146 18.1652 13.6412 4.82199 numMergedOcc 0
6 mol 33 unq 0 iso 0 dist 7.29974 4.76306 4.64187 8.75753 3.60218 4.78873 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 6.68961 10.1874 6.17378 11.762 5.46483 5.37439 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 6.68961 10.1874 6.17378 14.543 7.86518 8.3714 numMergedOcc 0
9 mol 48 unq 2 iso 0 dist 6.68961 10.1874 6.17378 14.3966 9.92075 6.36817 numMergedOcc 0
10 mol 68 unq 0 iso 0 dist 9.90923 8.41751 8.19932 13.7148 7.98805 7.7485 numMergedOcc 0
11 mol 76 unq 0 iso 0 dist 6.14248 5.50078 5.45099 9.0369 3.35924 7.66068 numMergedOcc 0
12 mol 76 unq 1 iso 0 dist 6.14248 11.6055 8.44765 9.0369 3.35924 9.5043 numMergedOcc 0
13 mol 76 unq 2 iso 0 dist 6.14248 13.5729 9.06643 9.0369 3.35924 8.34132 numMergedOcc 0
14 mol 76 unq 3 iso 0 dist 6.97936 11.6853 5.45099 5.91098 3.35924 7.66068 numMergedOcc 0
15 mol 76 unq 4 iso 0 dist 6.97936 15.0489 8.44765 5.91098 3.35924 9.5043 numMergedOcc 0
16 mol 76 unq 5 iso 0 dist 6.97936 14.2393 9.06643 5.91098 3.35924 8.34132 numMergedOcc 0
17 mol 76 unq 6 iso 0 dist 5.00466 4.94673 5.45099 4.86523 3.35924 7.66068 numMergedOcc 0
18 mol 76 unq 7 iso 0 dist 5.00466 5.78236 8.44765 4.86523 3.35924 9.5043 numMergedOcc 0
19 mol 76 unq 8 iso 0 dist 5.00466 4.73151 9.06643 4.86523 3.35924 8.34132 numMergedOcc 0
20 mol 79 unq 0 iso 0 dist 7.7288 4.09431 4.74254 9.96401 7.19532 6.20144 numMergedOcc 0
21 mol 107 unq 0 iso 0 dist 9.68222 8.41816 7.91251 7.2168 5.88785 8.88124 numMergedOcc 0
22 mol 107 unq 1 iso 0 dist 9.68222 15.3177 9.09262 7.2168 5.88785 8.19484 numMergedOcc 0
23 mol 116 unq 0 iso 0 dist 8.33185 11.193 9.87354 10.6766 6.51576 6.55227 numMergedOcc 0
24 mol 158 unq 0 iso 0 dist 9.53944 12.6695 9.44964 14.387 5.70869 7.97228 numMergedOcc 0
25 mol 168 unq 0 iso 0 dist 7.96541 9.69599 7.0961 10.8557 6.06538 5.86767 numMergedOcc 0
26 mol 168 unq 1 iso 0 dist 7.96541 9.69599 7.0961 13.9673 10.919 5.28353 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 6.49577 5.86994 8.17928 6.97766 4.79079 4.87942 numMergedOcc 0
28 mol 186 unq 1 iso 0 dist 6.49577 5.86994 8.17928 4.79423 3.60793 7.25595 numMergedOcc 0
29 mol 186 unq 2 iso 0 dist 9.76574 16.9837 8.17928 14.3647 4.79079 4.87942 numMergedOcc 0
30 mol 186 unq 3 iso 0 dist 9.76574 16.9837 8.17928 10.6456 3.60793 7.25595 numMergedOcc 0
31 mol 204 unq 0 iso 0 dist 5.81438 10.6524 8.23717 8.77524 5.80328 8.32259 numMergedOcc 0
32 mol 204 unq 1 iso 0 dist 5.81438 10.6524 8.23717 8.59764 3.68217 8.54737 numMergedOcc 0
33 mol 204 unq 2 iso 0 dist 5.81438 9.88337 7.98864 8.77524 5.80328 9.93489 numMergedOcc 0
34 mol 204 unq 3 iso 0 dist 5.81438 9.88337 7.98864 8.59764 3.68217 7.64057 numMergedOcc 0
35 mol 214 unq 0 iso 0 dist 8.44407 10.4614 9.59928 9.834 3.14057 8.66082 numMergedOcc 0
36 mol 214 unq 1 iso 0 dist 8.44407 10.4614 9.59928 9.01979 8.88633 7.96338 numMergedOcc 0
37 mol 214 unq 2 iso 0 dist 6.0155 10.4614 7.70062 9.834 7.87816 8.66082 numMergedOcc 0
38 mol 214 unq 3 iso 0 dist 6.0155 10.4614 7.70062 9.01979 3.64285 7.96338 numMergedOcc 0
39 mol 214 unq 4 iso 0 dist 6.0155 9.84398 7.66702 9.01979 3.64285 7.42759 numMergedOcc 0
40 mol 254 unq 0 iso 0 dist 8.98141 4.96278 5.6417 12.6066 8.8967 7.85841 numMergedOcc 0
41 mol 254 unq 1 iso 0 dist 8.98141 4.96278 5.6417 13.8011 10.929 9.20109 numMergedOcc 0
42 mol 266 unq 0 iso 0 dist 7.97711 5.34431 7.72861 6.83784 3.14784 7.8598 numMergedOcc 0
43 mol 266 unq 1 iso 0 dist 7.97711 5.34431 7.72861 6.38519 5.95721 7.80711 numMergedOcc 0
44 mol 266 unq 2 iso 0 dist 7.97711 8.39575 8.20376 10.3164 3.68488 6.96692 numMergedOcc 0
45 mol 266 unq 3 iso 0 dist 7.97711 8.39575 8.20376 6.83784 3.14784 8.25286 numMergedOcc 0
46 mol 266 unq 4 iso 0 dist 7.97711 8.39575 8.20376 6.38519 5.95721 9.9965 numMergedOcc 0
47 mol 285 unq 0 iso 0 dist 6.24134 4.57431 7.73438 4.95596 10.5542 5.88958 numMergedOcc 0
48 mol 285 unq 1 iso 0 dist 6.24134 4.57431 7.73438 6.3508 12.5361 7.78121 numMergedOcc 0
