0 mol 48 unq 0 iso 0 dist 9.48328 8.11968 8.65524 12.3188 8.96151 6.87266 11.5119 5.62671 8.22812 4.22002 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 9.48328 8.11968 8.65524 9.72788 9.02535 4.62605 11.5119 5.62671 8.22812 5.77855 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 9.48328 12.3188 8.96151 8.11968 8.65524 6.87266 11.5119 5.62671 4.22002 8.22812 numMergedOcc 0
3 mol 48 unq 3 iso 0 dist 9.48328 12.3188 8.96151 9.72788 9.02535 3.23184 11.5119 5.62671 4.22002 5.77855 numMergedOcc 0
4 mol 48 unq 4 iso 0 dist 9.48328 9.72788 9.02535 8.11968 8.65524 4.62605 11.5119 5.62671 5.77855 8.22812 numMergedOcc 0
5 mol 48 unq 5 iso 0 dist 9.48328 9.72788 9.02535 12.3188 8.96151 3.23184 11.5119 5.62671 5.77855 4.22002 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 8.39335 13.0405 8.61143 11.779 9.07629 8.09729 18.6828 11.9667 8.79979 15.642 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 6.56288 7.14242 6.67137 15.2173 9.78707 15.509 5.97559 2.58673 7.04244 9.63449 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 6.56288 15.2173 9.78707 7.14242 6.67137 15.509 5.97559 2.58673 9.63449 7.04244 numMergedOcc 0
9 mol 85 unq 2 iso 0 dist 5.97559 7.14242 7.04244 9.52671 7.07839 10.1082 6.56288 2.58673 6.67137 9.52926 numMergedOcc 0
10 mol 85 unq 3 iso 0 dist 5.97559 7.14242 7.04244 5.86553 9.09711 10.1757 6.56288 2.58673 6.67137 10.9264 numMergedOcc 0
11 mol 85 unq 4 iso 0 dist 5.97559 7.14242 7.04244 8.62855 7.91193 11.3346 6.56288 2.58673 6.67137 10.4386 numMergedOcc 0
12 mol 85 unq 5 iso 0 dist 5.97559 7.14242 7.04244 15.2173 9.63449 15.509 6.56288 2.58673 6.67137 9.78707 numMergedOcc 0
13 mol 85 unq 6 iso 0 dist 5.97559 15.2173 9.63449 9.52671 7.07839 12.8332 6.56288 2.58673 9.78707 9.52926 numMergedOcc 0
14 mol 85 unq 7 iso 0 dist 5.97559 15.2173 9.63449 5.86553 9.09711 17.7038 6.56288 2.58673 9.78707 10.9264 numMergedOcc 0
15 mol 85 unq 8 iso 0 dist 5.97559 15.2173 9.63449 7.14242 7.04244 15.509 6.56288 2.58673 9.78707 6.67137 numMergedOcc 0
16 mol 85 unq 9 iso 0 dist 5.97559 15.2173 9.63449 8.62855 7.91193 14.2704 6.56288 2.58673 9.78707 10.4386 numMergedOcc 0
17 mol 85 unq 10 iso 0 dist 8.15861 3.81285 6.67137 6.17121 7.04244 2.58673 11.7875 15.509 9.78707 9.63449 numMergedOcc 0
18 mol 85 unq 11 iso 0 dist 8.15861 6.17121 7.04244 3.81285 6.67137 2.58673 13.0359 10.1757 9.09711 10.9264 numMergedOcc 0
19 mol 85 unq 12 iso 0 dist 8.15861 6.17121 7.04244 3.81285 6.67137 2.58673 13.154 10.1082 7.07839 9.52926 numMergedOcc 0
20 mol 85 unq 13 iso 0 dist 8.15861 6.17121 7.04244 3.81285 6.67137 2.58673 13.6468 11.3346 7.91193 10.4386 numMergedOcc 0
21 mol 85 unq 14 iso 0 dist 8.15861 6.17121 7.04244 3.81285 6.67137 2.58673 11.7875 15.509 9.63449 9.78707 numMergedOcc 0
22 mol 111 unq 0 iso 0 dist 6.33923 3.83194 4.91212 5.56913 9.34782 8.72808 9.9801 6.13173 9.74162 12.5922 numMergedOcc 0
23 mol 111 unq 1 iso 0 dist 8.51084 7.42165 4.91212 7.93667 9.74162 6.13173 5.53271 8.72808 9.34782 12.5922 numMergedOcc 0
24 mol 113 unq 0 iso 0 dist 9.44 12.8761 5.31126 7.68828 4.49669 5.7147 8.47634 2.75715 7.16619 5.88896 numMergedOcc 0
25 mol 113 unq 1 iso 0 dist 9.44 12.8761 5.31126 8.44413 6.00221 8.09465 8.47634 2.75715 7.16619 7.84239 numMergedOcc 0
26 mol 113 unq 2 iso 0 dist 9.44 7.68828 4.49669 12.8761 5.31126 5.7147 8.47634 2.75715 5.88896 7.16619 numMergedOcc 0
27 mol 113 unq 3 iso 0 dist 9.44 7.68828 4.49669 8.44413 6.00221 3.74304 8.47634 2.75715 5.88896 7.84239 numMergedOcc 0
28 mol 113 unq 4 iso 0 dist 8.47634 12.8761 7.16619 7.68828 5.88896 5.7147 9.44 2.75715 5.31126 4.49669 numMergedOcc 0
29 mol 113 unq 5 iso 0 dist 8.47634 7.68828 5.88896 12.8761 7.16619 5.7147 9.44 2.75715 4.49669 5.31126 numMergedOcc 0
30 mol 120 unq 0 iso 0 dist 5.56598 8.24077 7.84207 3.79384 8.56947 8.68088 9.65403 5.26524 6.98791 11.3644 numMergedOcc 0
31 mol 120 unq 1 iso 0 dist 5.39792 5.56137 7.84207 6.80121 8.56947 8.68088 8.44206 5.26524 6.98791 11.3644 numMergedOcc 0
32 mol 120 unq 2 iso 0 dist 8.44206 5.56137 6.98791 10.0743 9.31385 5.7181 5.39792 5.26524 7.84207 11.8836 numMergedOcc 0
33 mol 120 unq 3 iso 0 dist 7.00542 7.75617 7.84207 10.6431 8.56947 8.68088 9.78884 5.26524 6.98791 11.3644 numMergedOcc 0
34 mol 120 unq 4 iso 0 dist 9.78884 7.75617 6.98791 10.2233 9.31385 5.7181 7.00542 5.26524 7.84207 11.8836 numMergedOcc 0
35 mol 123 unq 0 iso 0 dist 9.72421 11.8396 8.03692 3.50983 8.78115 8.77423 16.4685 10.2185 5.56127 13.5017 numMergedOcc 0
36 mol 123 unq 1 iso 0 dist 9.72421 11.8396 8.03692 3.50983 8.78115 8.77423 15.2739 13.0033 5.36214 12.1434 numMergedOcc 0
37 mol 123 unq 2 iso 0 dist 8.35926 3.61945 8.03692 5.85997 8.78115 8.77423 8.09682 10.2185 5.56127 13.5017 numMergedOcc 0
38 mol 123 unq 3 iso 0 dist 8.35926 3.61945 8.03692 5.85997 8.78115 8.77423 7.41568 13.0033 5.36214 12.1434 numMergedOcc 0
39 mol 147 unq 0 iso 0 dist 5.39386 3.75216 3.82583 6.64419 8.25768 4.68125 5.79819 3.00464 5.19116 8.71702 numMergedOcc 0
40 mol 147 unq 1 iso 0 dist 5.39386 6.64419 8.25768 3.75216 3.82583 4.68125 5.79819 3.00464 8.71702 5.19116 numMergedOcc 0
41 mol 147 unq 2 iso 0 dist 5.79819 3.75216 5.19116 6.64419 8.71702 4.68125 5.39386 3.00464 3.82583 8.25768 numMergedOcc 0
42 mol 147 unq 3 iso 0 dist 5.79819 6.64419 8.71702 3.75216 5.19116 4.68125 5.39386 3.00464 8.25768 3.82583 numMergedOcc 0
43 mol 194 unq 0 iso 0 dist 4.42095 4.02402 4.68722 3.83542 5.18325 5.61057 4.55528 3.78714 5.10542 7.52366 numMergedOcc 0
44 mol 194 unq 1 iso 0 dist 4.63898 8.31549 4.68722 4.98625 5.18325 5.61057 6.88386 3.78714 5.10542 7.52366 numMergedOcc 0
45 mol 194 unq 2 iso 0 dist 9.53641 7.40457 4.68722 8.48051 5.18325 5.61057 11.9425 3.78714 5.10542 7.52366 numMergedOcc 0
46 mol 204 unq 0 iso 0 dist 7.15344 6.82158 8.32259 11.8793 8.54737 8.59834 9.98617 2.95898 9.93489 7.64057 numMergedOcc 0
47 mol 204 unq 1 iso 0 dist 7.15344 11.8793 8.54737 6.82158 8.32259 8.59834 9.98617 2.95898 7.64057 9.93489 numMergedOcc 0
48 mol 204 unq 2 iso 0 dist 9.98617 6.82158 9.93489 11.8793 7.64057 8.59834 7.15344 2.95898 8.32259 8.54737 numMergedOcc 0
49 mol 204 unq 3 iso 0 dist 9.98617 11.8793 7.64057 6.82158 9.93489 8.59834 7.15344 2.95898 8.54737 8.32259 numMergedOcc 0
50 mol 204 unq 4 iso 0 dist 8.09863 6.29741 8.54737 3.88406 7.64057 2.95898 13.01 8.59834 8.32259 9.93489 numMergedOcc 0
51 mol 204 unq 5 iso 0 dist 8.09863 3.88406 7.64057 6.29741 8.54737 2.95898 13.01 8.59834 9.93489 8.32259 numMergedOcc 0
52 mol 266 unq 0 iso 0 dist 5.28746 11.313 8.25286 9.23405 6.96692 5.76129 16.8016 11.938 7.8598 10.9313 numMergedOcc 0
53 mol 266 unq 1 iso 0 dist 5.28746 11.313 8.25286 13.005 9.9965 3.00605 16.8016 11.938 7.8598 7.80711 numMergedOcc 0
54 mol 266 unq 2 iso 0 dist 5.28746 13.005 9.9965 9.23405 6.96692 8.75066 16.8016 11.938 7.80711 10.9313 numMergedOcc 0
55 mol 266 unq 3 iso 0 dist 5.28746 13.005 9.9965 11.313 8.25286 3.00605 16.8016 11.938 7.80711 7.8598 numMergedOcc 0
56 mol 266 unq 4 iso 0 dist 7.43884 11.4637 7.80711 12.3524 9.9965 11.938 9.82944 3.00605 7.8598 8.25286 numMergedOcc 0
57 mol 266 unq 5 iso 0 dist 7.43884 12.3524 9.9965 11.4637 7.80711 11.938 14.7906 8.75066 6.96692 10.9313 numMergedOcc 0
58 mol 266 unq 6 iso 0 dist 7.43884 12.3524 9.9965 11.4637 7.80711 11.938 9.82944 3.00605 8.25286 7.8598 numMergedOcc 0
59 mol 281 unq 0 iso 0 dist 9.05453 9.81081 6.69267 16.2801 7.90368 12.7734 10.9079 3.77058 6.56886 9.46544 numMergedOcc 0
