0 mol 5 unq 0 iso 0 dist 9.45559 8.41594 7.64769 11.0627 3.50411 8.68577 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 9.45559 8.41594 7.64769 7.4332 4.84696 9.70883 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 9.45559 12.663 8.31759 11.0627 3.50411 8.13672 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 7.4332 8.41594 9.70883 9.45559 4.84696 7.64769 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 7.4332 8.41594 9.70883 11.0627 5.30421 8.68577 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 5.43913 5.39197 8.65524 8.26877 5.62671 8.22812 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 5.43913 9.53255 8.96151 8.26877 5.62671 4.22002 numMergedOcc 0
7 mol 48 unq 2 iso 0 dist 5.43913 7.75132 9.02535 8.26877 5.62671 5.77855 numMergedOcc 0
8 mol 48 unq 3 iso 0 dist 8.26877 5.39197 8.22812 5.43913 5.62671 8.65524 numMergedOcc 0
9 mol 48 unq 4 iso 0 dist 8.26877 9.53255 4.22002 5.43913 5.62671 8.96151 numMergedOcc 0
10 mol 48 unq 5 iso 0 dist 8.26877 7.75132 5.77855 5.43913 5.62671 9.02535 numMergedOcc 0
11 mol 48 unq 6 iso 0 dist 8.26877 12.4977 6.5241 15.7674 8.66712 5.54472 numMergedOcc 0
12 mol 48 unq 7 iso 0 dist 8.26877 12.4977 6.5241 16.3703 9.07711 8.62369 numMergedOcc 0
13 mol 48 unq 8 iso 0 dist 7.99434 12.2756 8.22812 11.9764 5.62671 8.65524 numMergedOcc 0
14 mol 48 unq 9 iso 0 dist 7.99434 8.12843 4.22002 11.9764 5.62671 8.96151 numMergedOcc 0
15 mol 48 unq 10 iso 0 dist 7.99434 8.16676 5.77855 11.9764 5.62671 9.02535 numMergedOcc 0
16 mol 48 unq 11 iso 0 dist 7.99434 12.7252 6.5241 14.5028 8.66712 5.54472 numMergedOcc 0
17 mol 48 unq 12 iso 0 dist 7.99434 12.7252 6.5241 14.0354 9.07711 8.62369 numMergedOcc 0
18 mol 48 unq 13 iso 0 dist 7.49794 11.8742 6.36817 15.2873 8.61401 5.37439 numMergedOcc 0
19 mol 48 unq 14 iso 0 dist 7.49794 11.8742 6.36817 16.0126 9.16142 8.3714 numMergedOcc 0
20 mol 48 unq 15 iso 0 dist 8.10222 12.6437 6.36817 14.2863 8.61401 5.37439 numMergedOcc 0
21 mol 48 unq 16 iso 0 dist 8.10222 12.6437 6.36817 13.9526 9.16142 8.3714 numMergedOcc 0
22 mol 78 unq 0 iso 0 dist 6.11101 7.38398 8.61143 14.6801 11.9667 8.79979 numMergedOcc 0
23 mol 79 unq 0 iso 0 dist 7.75543 4.08459 4.808 10.1173 7.13643 6.20144 numMergedOcc 0
24 mol 79 unq 1 iso 0 dist 4.2253 8.65653 6.20144 10.9812 7.13643 4.808 numMergedOcc 0
25 mol 83 unq 0 iso 0 dist 7.69755 6.83349 6.96722 11.7964 5.72008 7.61085 numMergedOcc 0
26 mol 83 unq 1 iso 0 dist 9.64197 8.6522 6.96722 11.9669 5.72008 7.61085 numMergedOcc 0
27 mol 85 unq 0 iso 0 dist 8.66427 13.8217 7.04244 10.9038 2.58673 6.67137 numMergedOcc 0
28 mol 85 unq 1 iso 0 dist 8.66427 9.54731 9.63449 10.9038 2.58673 9.78707 numMergedOcc 0
29 mol 85 unq 2 iso 0 dist 7.51319 6.90443 6.67137 8.49887 2.58673 7.04244 numMergedOcc 0
30 mol 85 unq 3 iso 0 dist 7.51319 17.0873 9.78707 8.49887 2.58673 9.63449 numMergedOcc 0
31 mol 85 unq 4 iso 0 dist 8.49887 6.90443 7.04244 7.51319 2.58673 6.67137 numMergedOcc 0
32 mol 85 unq 5 iso 0 dist 8.49887 17.0873 9.63449 7.51319 2.58673 9.78707 numMergedOcc 0
33 mol 85 unq 6 iso 0 dist 9.43839 14.6513 6.67137 10.329 2.58673 7.04244 numMergedOcc 0
34 mol 85 unq 7 iso 0 dist 9.43839 4.43737 9.78707 10.329 2.58673 9.63449 numMergedOcc 0
35 mol 111 unq 0 iso 0 dist 8.11813 6.42834 4.91212 11.2906 6.13173 9.74162 numMergedOcc 0
36 mol 186 unq 0 iso 0 dist 6.97766 5.86994 4.87942 4.79423 6.13455 7.25595 numMergedOcc 0
37 mol 186 unq 1 iso 0 dist 4.79423 5.86994 7.25595 6.97766 6.13455 4.87942 numMergedOcc 0
38 mol 194 unq 0 iso 0 dist 7.56217 11.7008 5.10542 9.81055 3.78714 4.68722 numMergedOcc 0
39 mol 194 unq 1 iso 0 dist 9.81055 11.7008 4.68722 7.56217 3.78714 5.10542 numMergedOcc 0
40 mol 204 unq 0 iso 0 dist 8.77524 10.6524 8.32259 8.59764 8.59834 8.54737 numMergedOcc 0
41 mol 204 unq 1 iso 0 dist 8.77524 9.88337 9.93489 8.59764 8.59834 7.64057 numMergedOcc 0
42 mol 204 unq 2 iso 0 dist 9.26192 13.8736 9.93489 10.6368 2.95898 8.32259 numMergedOcc 0
43 mol 204 unq 3 iso 0 dist 9.26192 6.40044 7.64057 10.6368 2.95898 8.54737 numMergedOcc 0
44 mol 214 unq 0 iso 0 dist 9.53899 6.49466 7.42759 10.3757 2.86233 7.96338 numMergedOcc 0
45 mol 266 unq 0 iso 0 dist 6.48382 7.52317 8.25286 14.5631 11.938 7.8598 numMergedOcc 0
46 mol 266 unq 1 iso 0 dist 6.48382 9.52953 9.9965 14.5631 11.938 7.80711 numMergedOcc 0
47 mol 266 unq 2 iso 0 dist 7.36137 12.2408 7.8598 4.95415 3.00605 7.80711 numMergedOcc 0
48 mol 266 unq 3 iso 0 dist 7.36137 13.1028 8.25286 12.5804 5.76129 6.96692 numMergedOcc 0
49 mol 266 unq 4 iso 0 dist 7.36137 13.1028 8.25286 4.95415 3.00605 9.9965 numMergedOcc 0
50 mol 266 unq 5 iso 0 dist 6.83784 5.34431 7.8598 6.38519 3.00605 7.80711 numMergedOcc 0
51 mol 266 unq 6 iso 0 dist 6.83784 8.39575 8.25286 10.3164 5.76129 6.96692 numMergedOcc 0
52 mol 266 unq 7 iso 0 dist 6.83784 8.39575 8.25286 6.38519 3.00605 9.9965 numMergedOcc 0
53 mol 266 unq 8 iso 0 dist 4.95415 12.2408 7.80711 7.36137 3.00605 7.8598 numMergedOcc 0
54 mol 266 unq 9 iso 0 dist 4.95415 13.1028 9.9965 12.5804 8.75066 6.96692 numMergedOcc 0
55 mol 266 unq 10 iso 0 dist 4.95415 13.1028 9.9965 7.36137 3.00605 8.25286 numMergedOcc 0
56 mol 266 unq 11 iso 0 dist 6.38519 5.34431 7.80711 6.83784 3.00605 7.8598 numMergedOcc 0
57 mol 266 unq 12 iso 0 dist 6.38519 8.39575 9.9965 10.3164 8.75066 6.96692 numMergedOcc 0
58 mol 266 unq 13 iso 0 dist 6.38519 8.39575 9.9965 6.83784 3.00605 8.25286 numMergedOcc 0
59 mol 277 unq 0 iso 0 dist 4.1545 5.11865 7.98956 4.25172 3.41319 5.86185 numMergedOcc 0
60 mol 277 unq 1 iso 0 dist 4.1545 5.11865 7.98956 11.2914 13.9697 6.79748 numMergedOcc 0
61 mol 277 unq 2 iso 0 dist 4.25172 5.11865 5.86185 4.1545 3.41319 7.98956 numMergedOcc 0
62 mol 277 unq 3 iso 0 dist 4.25172 5.11865 5.86185 11.2914 12.1514 6.79748 numMergedOcc 0
63 mol 285 unq 0 iso 0 dist 4.95596 4.57431 5.88958 6.3508 4.87372 7.78121 numMergedOcc 0
64 mol 285 unq 1 iso 0 dist 6.3508 4.57431 7.78121 4.95596 4.87372 5.88958 numMergedOcc 0
