0 mol 30 unq 0 iso 0 dist 7.10496 6.55665 6.87277 12.7392 6.09772 9.63882 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 9.48328 8.11968 8.65524 11.5119 5.62671 8.22812 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 9.48328 12.3188 8.96151 11.5119 5.62671 4.22002 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 9.48328 9.72788 9.02535 11.5119 5.62671 5.77855 numMergedOcc 0
4 mol 63 unq 0 iso 0 dist 8.06894 11.2724 8.14512 19.359 13.0286 9.13228 numMergedOcc 0
5 mol 63 unq 1 iso 0 dist 5.89846 6.63195 8.14512 14.978 13.0286 9.13228 numMergedOcc 0
6 mol 63 unq 2 iso 0 dist 9.56838 11.1855 9.13228 12.3346 13.0286 8.14512 numMergedOcc 0
7 mol 78 unq 0 iso 0 dist 8.39335 13.0405 8.61143 18.6828 11.9667 8.79979 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 6.29267 6.02092 4.15789 8.85201 5.30569 4.808 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 6.56288 7.14242 6.67137 5.97559 2.58673 7.04244 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 6.56288 15.2173 9.78707 5.97559 2.58673 9.63449 numMergedOcc 0
11 mol 85 unq 2 iso 0 dist 5.97559 7.14242 7.04244 6.56288 2.58673 6.67137 numMergedOcc 0
12 mol 85 unq 3 iso 0 dist 5.97559 15.2173 9.63449 6.56288 2.58673 9.78707 numMergedOcc 0
13 mol 85 unq 4 iso 0 dist 8.15861 3.81285 6.67137 11.7875 15.509 9.78707 numMergedOcc 0
14 mol 85 unq 5 iso 0 dist 8.15861 6.17121 7.04244 13.154 10.1082 7.07839 numMergedOcc 0
15 mol 85 unq 6 iso 0 dist 8.15861 6.17121 7.04244 13.0359 10.1757 9.09711 numMergedOcc 0
16 mol 85 unq 7 iso 0 dist 8.15861 6.17121 7.04244 13.6468 11.3346 7.91193 numMergedOcc 0
17 mol 85 unq 8 iso 0 dist 8.15861 6.17121 7.04244 11.7875 15.509 9.63449 numMergedOcc 0
18 mol 93 unq 0 iso 0 dist 8.23294 3.27874 5.20429 8.2702 9.47916 8.71366 numMergedOcc 0
19 mol 93 unq 1 iso 0 dist 8.2702 3.27874 8.71366 8.23294 9.47916 5.20429 numMergedOcc 0
20 mol 111 unq 0 iso 0 dist 6.33923 3.83194 4.91212 9.9801 6.13173 9.74162 numMergedOcc 0
21 mol 111 unq 1 iso 0 dist 9.9801 3.83194 9.74162 6.33923 6.13173 4.91212 numMergedOcc 0
22 mol 111 unq 2 iso 0 dist 8.51084 7.42165 4.91212 5.53271 8.72808 9.34782 numMergedOcc 0
23 mol 111 unq 3 iso 0 dist 5.53271 7.42165 9.34782 8.51084 8.72808 4.91212 numMergedOcc 0
24 mol 113 unq 0 iso 0 dist 9.44 12.8761 5.31126 8.47634 2.75715 7.16619 numMergedOcc 0
25 mol 113 unq 1 iso 0 dist 9.44 7.68828 4.49669 8.47634 2.75715 5.88896 numMergedOcc 0
26 mol 113 unq 2 iso 0 dist 8.47634 12.8761 7.16619 9.44 2.75715 5.31126 numMergedOcc 0
27 mol 113 unq 3 iso 0 dist 8.47634 7.68828 5.88896 9.44 2.75715 4.49669 numMergedOcc 0
28 mol 120 unq 0 iso 0 dist 5.56598 8.24077 7.84207 9.65403 5.26524 6.98791 numMergedOcc 0
29 mol 120 unq 1 iso 0 dist 5.39792 5.56137 7.84207 8.44206 5.26524 6.98791 numMergedOcc 0
30 mol 120 unq 2 iso 0 dist 8.44206 5.56137 6.98791 5.39792 5.26524 7.84207 numMergedOcc 0
31 mol 120 unq 3 iso 0 dist 7.00542 7.75617 7.84207 9.78884 5.26524 6.98791 numMergedOcc 0
32 mol 120 unq 4 iso 0 dist 9.78884 7.75617 6.98791 7.00542 5.26524 7.84207 numMergedOcc 0
33 mol 123 unq 0 iso 0 dist 9.72421 11.8396 8.03692 16.4685 10.2185 5.56127 numMergedOcc 0
34 mol 123 unq 1 iso 0 dist 9.72421 11.8396 8.03692 15.2739 13.0033 5.36214 numMergedOcc 0
35 mol 123 unq 2 iso 0 dist 8.09682 3.61945 5.56127 8.35926 10.2185 8.03692 numMergedOcc 0
36 mol 123 unq 3 iso 0 dist 8.09682 3.61945 5.56127 7.41568 8.29136 5.36214 numMergedOcc 0
37 mol 123 unq 4 iso 0 dist 8.35926 3.61945 8.03692 8.09682 10.2185 5.56127 numMergedOcc 0
38 mol 123 unq 5 iso 0 dist 8.35926 3.61945 8.03692 7.41568 13.0033 5.36214 numMergedOcc 0
39 mol 123 unq 6 iso 0 dist 7.41568 3.61945 5.36214 8.09682 8.29136 5.56127 numMergedOcc 0
40 mol 123 unq 7 iso 0 dist 7.41568 3.61945 5.36214 8.35926 13.0033 8.03692 numMergedOcc 0
41 mol 147 unq 0 iso 0 dist 5.39386 3.75216 3.82583 5.79819 3.00464 5.19116 numMergedOcc 0
42 mol 147 unq 1 iso 0 dist 5.39386 6.64419 8.25768 5.79819 3.00464 8.71702 numMergedOcc 0
43 mol 147 unq 2 iso 0 dist 5.79819 3.75216 5.19116 5.39386 3.00464 3.82583 numMergedOcc 0
44 mol 147 unq 3 iso 0 dist 5.79819 6.64419 8.71702 5.39386 3.00464 8.25768 numMergedOcc 0
45 mol 176 unq 0 iso 0 dist 9.40603 3.75017 8.65645 9.7293 7.03525 6.85902 numMergedOcc 0
46 mol 176 unq 1 iso 0 dist 8.00223 3.84631 6.85902 11.2481 7.03525 8.65645 numMergedOcc 0
47 mol 194 unq 0 iso 0 dist 4.55528 4.02402 5.10542 4.42095 3.78714 4.68722 numMergedOcc 0
48 mol 194 unq 1 iso 0 dist 4.42095 4.02402 4.68722 4.55528 3.78714 5.10542 numMergedOcc 0
49 mol 194 unq 2 iso 0 dist 6.88386 8.31549 5.10542 4.63898 3.78714 4.68722 numMergedOcc 0
50 mol 194 unq 3 iso 0 dist 4.63898 8.31549 4.68722 6.88386 3.78714 5.10542 numMergedOcc 0
51 mol 194 unq 4 iso 0 dist 9.53641 7.40457 4.68722 11.9425 3.78714 5.10542 numMergedOcc 0
52 mol 204 unq 0 iso 0 dist 7.15344 6.82158 8.32259 9.98617 2.95898 9.93489 numMergedOcc 0
53 mol 204 unq 1 iso 0 dist 7.15344 11.8793 8.54737 9.98617 2.95898 7.64057 numMergedOcc 0
54 mol 204 unq 2 iso 0 dist 9.98617 6.82158 9.93489 7.15344 2.95898 8.32259 numMergedOcc 0
55 mol 204 unq 3 iso 0 dist 9.98617 11.8793 7.64057 7.15344 2.95898 8.54737 numMergedOcc 0
56 mol 204 unq 4 iso 0 dist 8.09863 6.29741 8.54737 13.01 8.59834 8.32259 numMergedOcc 0
57 mol 204 unq 5 iso 0 dist 8.09863 3.88406 7.64057 13.01 8.59834 9.93489 numMergedOcc 0
58 mol 266 unq 0 iso 0 dist 5.28746 11.313 8.25286 16.8016 11.938 7.8598 numMergedOcc 0
59 mol 266 unq 1 iso 0 dist 5.28746 13.005 9.9965 16.8016 11.938 7.80711 numMergedOcc 0
60 mol 266 unq 2 iso 0 dist 7.43884 11.4637 7.80711 9.82944 3.00605 7.8598 numMergedOcc 0
61 mol 266 unq 3 iso 0 dist 7.43884 12.3524 9.9965 14.7906 8.75066 6.96692 numMergedOcc 0
62 mol 266 unq 4 iso 0 dist 7.43884 12.3524 9.9965 9.82944 3.00605 8.25286 numMergedOcc 0
63 mol 281 unq 0 iso 0 dist 9.05453 9.81081 6.69267 10.9079 3.77058 6.56886 numMergedOcc 0
64 mol 281 unq 1 iso 0 dist 7.43535 3.86368 7.90368 9.80393 12.7734 6.69267 numMergedOcc 0
