0 mol 48 unq 0 iso 0 dist 9.48328 8.11968 8.65524 11.5119 5.62671 8.22812 12.3188 8.96151 6.87266 4.22002 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 9.48328 8.11968 8.65524 11.5119 5.62671 8.22812 9.72788 9.02535 4.62605 5.77855 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 9.48328 8.11968 8.65524 11.5119 5.62671 8.22812 16.8015 13.4006 10.9047 8.10774 numMergedOcc 0
3 mol 48 unq 3 iso 0 dist 9.48328 8.11968 8.65524 11.5119 5.62671 8.22812 16.5238 10.2447 10.1674 6.5241 numMergedOcc 0
4 mol 48 unq 4 iso 0 dist 9.48328 12.3188 8.96151 11.5119 5.62671 4.22002 8.11968 8.65524 6.87266 8.22812 numMergedOcc 0
5 mol 48 unq 5 iso 0 dist 9.48328 12.3188 8.96151 11.5119 5.62671 4.22002 9.72788 9.02535 3.23184 5.77855 numMergedOcc 0
6 mol 48 unq 6 iso 0 dist 9.48328 12.3188 8.96151 11.5119 5.62671 4.22002 16.8015 13.4006 4.78728 8.10774 numMergedOcc 0
7 mol 48 unq 7 iso 0 dist 9.48328 12.3188 8.96151 11.5119 5.62671 4.22002 16.5238 10.2447 5.61785 6.5241 numMergedOcc 0
8 mol 48 unq 8 iso 0 dist 9.48328 9.72788 9.02535 11.5119 5.62671 5.77855 8.11968 8.65524 4.62605 8.22812 numMergedOcc 0
9 mol 48 unq 9 iso 0 dist 9.48328 9.72788 9.02535 11.5119 5.62671 5.77855 12.3188 8.96151 3.23184 4.22002 numMergedOcc 0
10 mol 48 unq 10 iso 0 dist 9.48328 9.72788 9.02535 11.5119 5.62671 5.77855 16.8015 13.4006 7.18912 8.10774 numMergedOcc 0
11 mol 48 unq 11 iso 0 dist 9.48328 9.72788 9.02535 11.5119 5.62671 5.77855 16.5238 10.2447 8.43495 6.5241 numMergedOcc 0
12 mol 78 unq 0 iso 0 dist 8.39335 13.0405 8.61143 18.6828 11.9667 8.79979 16.4354 11.407 3.46822 8.42738 numMergedOcc 0
13 mol 79 unq 0 iso 0 dist 6.29267 6.02092 4.15789 8.85201 5.30569 4.808 12.9575 9.56766 7.13643 6.20144 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 6.56288 7.14242 6.67137 5.97559 2.58673 7.04244 5.86553 10.9264 10.1757 9.09711 numMergedOcc 0
15 mol 85 unq 1 iso 0 dist 6.56288 7.14242 6.67137 5.97559 2.58673 7.04244 8.62855 10.4386 11.3346 7.91193 numMergedOcc 0
16 mol 85 unq 2 iso 0 dist 6.56288 7.14242 6.67137 5.97559 2.58673 7.04244 9.52671 9.52926 10.1082 7.07839 numMergedOcc 0
17 mol 85 unq 3 iso 0 dist 6.56288 7.14242 6.67137 5.97559 2.58673 7.04244 15.2173 9.78707 15.509 9.63449 numMergedOcc 0
18 mol 85 unq 4 iso 0 dist 6.56288 15.2173 9.78707 5.97559 2.58673 9.63449 5.86553 10.9264 17.7038 9.09711 numMergedOcc 0
19 mol 85 unq 5 iso 0 dist 6.56288 15.2173 9.78707 5.97559 2.58673 9.63449 7.14242 6.67137 15.509 7.04244 numMergedOcc 0
20 mol 85 unq 6 iso 0 dist 6.56288 15.2173 9.78707 5.97559 2.58673 9.63449 8.62855 10.4386 14.2704 7.91193 numMergedOcc 0
21 mol 85 unq 7 iso 0 dist 6.56288 15.2173 9.78707 5.97559 2.58673 9.63449 9.52671 9.52926 12.8332 7.07839 numMergedOcc 0
22 mol 85 unq 8 iso 0 dist 5.97559 7.14242 7.04244 6.56288 2.58673 6.67137 15.2173 9.63449 15.509 9.78707 numMergedOcc 0
23 mol 85 unq 9 iso 0 dist 5.97559 15.2173 9.63449 6.56288 2.58673 9.78707 7.14242 7.04244 15.509 6.67137 numMergedOcc 0
24 mol 85 unq 10 iso 0 dist 8.15861 3.81285 6.67137 11.7875 15.509 9.78707 6.17121 7.04244 2.58673 9.63449 numMergedOcc 0
25 mol 85 unq 11 iso 0 dist 8.15861 6.17121 7.04244 11.7875 15.509 9.63449 3.81285 6.67137 2.58673 9.78707 numMergedOcc 0
26 mol 111 unq 0 iso 0 dist 9.9801 3.83194 9.74162 6.33923 6.13173 4.91212 5.56913 12.5922 8.72808 9.34782 numMergedOcc 0
27 mol 111 unq 1 iso 0 dist 5.53271 7.42165 9.34782 8.51084 8.72808 4.91212 7.93667 12.5922 6.13173 9.74162 numMergedOcc 0
28 mol 113 unq 0 iso 0 dist 9.44 12.8761 5.31126 8.47634 2.75715 7.16619 7.68828 4.49669 5.7147 5.88896 numMergedOcc 0
29 mol 113 unq 1 iso 0 dist 9.44 7.68828 4.49669 8.47634 2.75715 5.88896 12.8761 5.31126 5.7147 7.16619 numMergedOcc 0
30 mol 113 unq 2 iso 0 dist 8.47634 12.8761 7.16619 9.44 2.75715 5.31126 7.68828 5.88896 5.7147 4.49669 numMergedOcc 0
31 mol 113 unq 3 iso 0 dist 8.47634 12.8761 7.16619 9.44 2.75715 5.31126 8.44413 7.84239 8.09465 6.00221 numMergedOcc 0
32 mol 113 unq 4 iso 0 dist 8.47634 7.68828 5.88896 9.44 2.75715 4.49669 12.8761 7.16619 5.7147 5.31126 numMergedOcc 0
33 mol 113 unq 5 iso 0 dist 8.47634 7.68828 5.88896 9.44 2.75715 4.49669 8.44413 7.84239 3.74304 6.00221 numMergedOcc 0
34 mol 120 unq 0 iso 0 dist 5.56598 8.24077 7.84207 9.65403 5.26524 6.98791 13.6282 11.8836 5.7181 9.31385 numMergedOcc 0
35 mol 120 unq 1 iso 0 dist 5.39792 5.56137 7.84207 8.44206 5.26524 6.98791 10.0743 11.8836 5.7181 9.31385 numMergedOcc 0
36 mol 120 unq 2 iso 0 dist 8.44206 5.56137 6.98791 5.39792 5.26524 7.84207 6.80121 11.3644 8.68088 8.56947 numMergedOcc 0
37 mol 120 unq 3 iso 0 dist 7.00542 7.75617 7.84207 9.78884 5.26524 6.98791 10.2233 11.8836 5.7181 9.31385 numMergedOcc 0
38 mol 120 unq 4 iso 0 dist 9.78884 7.75617 6.98791 7.00542 5.26524 7.84207 10.6431 11.3644 8.68088 8.56947 numMergedOcc 0
39 mol 123 unq 0 iso 0 dist 8.09682 3.61945 5.56127 8.35926 10.2185 8.03692 5.85997 13.5017 8.77423 8.78115 numMergedOcc 0
40 mol 123 unq 1 iso 0 dist 7.41568 3.61945 5.36214 8.35926 13.0033 8.03692 5.85997 12.1434 8.77423 8.78115 numMergedOcc 0
41 mol 147 unq 0 iso 0 dist 5.39386 3.75216 3.82583 5.79819 3.00464 5.19116 6.64419 8.25768 4.68125 8.71702 numMergedOcc 0
42 mol 147 unq 1 iso 0 dist 5.39386 6.64419 8.25768 5.79819 3.00464 8.71702 3.75216 3.82583 4.68125 5.19116 numMergedOcc 0
43 mol 147 unq 2 iso 0 dist 5.79819 3.75216 5.19116 5.39386 3.00464 3.82583 6.64419 8.71702 4.68125 8.25768 numMergedOcc 0
44 mol 147 unq 3 iso 0 dist 5.79819 6.64419 8.71702 5.39386 3.00464 8.25768 3.75216 5.19116 4.68125 3.82583 numMergedOcc 0
45 mol 194 unq 0 iso 0 dist 4.55528 4.02402 5.10542 4.42095 3.78714 4.68722 3.83542 7.52366 5.61057 5.18325 numMergedOcc 0
46 mol 194 unq 1 iso 0 dist 6.88386 8.31549 5.10542 4.63898 3.78714 4.68722 4.98625 7.52366 5.61057 5.18325 numMergedOcc 0
47 mol 204 unq 0 iso 0 dist 7.15344 6.82158 8.32259 9.98617 2.95898 9.93489 11.8793 8.54737 8.59834 7.64057 numMergedOcc 0
48 mol 204 unq 1 iso 0 dist 7.15344 11.8793 8.54737 9.98617 2.95898 7.64057 6.82158 8.32259 8.59834 9.93489 numMergedOcc 0
49 mol 204 unq 2 iso 0 dist 9.98617 6.82158 9.93489 7.15344 2.95898 8.32259 11.8793 7.64057 8.59834 8.54737 numMergedOcc 0
50 mol 204 unq 3 iso 0 dist 9.98617 11.8793 7.64057 7.15344 2.95898 8.54737 6.82158 9.93489 8.59834 8.32259 numMergedOcc 0
51 mol 204 unq 4 iso 0 dist 8.09863 6.29741 8.54737 13.01 8.59834 8.32259 3.88406 7.64057 2.95898 9.93489 numMergedOcc 0
52 mol 204 unq 5 iso 0 dist 8.09863 3.88406 7.64057 13.01 8.59834 9.93489 6.29741 8.54737 2.95898 8.32259 numMergedOcc 0
53 mol 266 unq 0 iso 0 dist 5.28746 11.313 8.25286 16.8016 11.938 7.8598 13.005 9.9965 3.00605 7.80711 numMergedOcc 0
54 mol 266 unq 1 iso 0 dist 5.28746 13.005 9.9965 16.8016 11.938 7.80711 11.313 8.25286 3.00605 7.8598 numMergedOcc 0
55 mol 266 unq 2 iso 0 dist 7.43884 11.4637 7.80711 9.82944 3.00605 7.8598 12.3524 9.9965 11.938 8.25286 numMergedOcc 0
56 mol 266 unq 3 iso 0 dist 7.43884 12.3524 9.9965 9.82944 3.00605 8.25286 11.4637 7.80711 11.938 7.8598 numMergedOcc 0
57 mol 281 unq 0 iso 0 dist 9.05453 9.81081 6.69267 10.9079 3.77058 6.56886 13.271 8.70938 10.2487 5.33372 numMergedOcc 0
58 mol 281 unq 1 iso 0 dist 7.43535 3.86368 7.90368 9.80393 12.7734 6.69267 7.4282 9.46544 3.77058 6.56886 numMergedOcc 0
