0 mol 5 unq 0 iso 0 dist 9.45559 8.41594 7.64769 12.663 8.31759 4.73885 11.0627 3.50411 8.68577 8.13672 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 9.45559 8.41594 7.64769 12.663 8.31759 4.73885 7.4332 4.84696 9.70883 11.5358 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 9.45559 12.663 8.31759 8.41594 7.64769 4.73885 11.0627 3.50411 8.13672 8.68577 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 7.4332 8.41594 9.70883 11.6739 9.65565 16.0393 9.45559 4.84696 7.64769 14.0944 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 7.4332 8.41594 9.70883 11.6739 9.65565 16.0393 11.0627 5.30421 8.68577 12.7584 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 5.43913 5.39197 8.65524 9.53255 8.96151 6.87266 8.26877 5.62671 8.22812 4.22002 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 5.43913 5.39197 8.65524 7.75132 9.02535 4.62605 8.26877 5.62671 8.22812 5.77855 numMergedOcc 0
7 mol 48 unq 2 iso 0 dist 5.43913 9.53255 8.96151 5.39197 8.65524 6.87266 8.26877 5.62671 4.22002 8.22812 numMergedOcc 0
8 mol 48 unq 3 iso 0 dist 5.43913 9.53255 8.96151 7.75132 9.02535 3.23184 8.26877 5.62671 4.22002 5.77855 numMergedOcc 0
9 mol 48 unq 4 iso 0 dist 5.43913 7.75132 9.02535 5.39197 8.65524 4.62605 8.26877 5.62671 5.77855 8.22812 numMergedOcc 0
10 mol 48 unq 5 iso 0 dist 5.43913 7.75132 9.02535 9.53255 8.96151 3.23184 8.26877 5.62671 5.77855 4.22002 numMergedOcc 0
11 mol 48 unq 6 iso 0 dist 8.26877 5.39197 8.22812 9.53255 4.22002 6.87266 5.43913 5.62671 8.65524 8.96151 numMergedOcc 0
12 mol 48 unq 7 iso 0 dist 8.26877 5.39197 8.22812 7.75132 5.77855 4.62605 5.43913 5.62671 8.65524 9.02535 numMergedOcc 0
13 mol 48 unq 8 iso 0 dist 8.26877 5.39197 8.22812 14.2848 8.10774 10.9047 5.43913 5.62671 8.65524 13.4006 numMergedOcc 0
14 mol 48 unq 9 iso 0 dist 8.26877 5.39197 8.22812 12.4977 6.5241 10.1674 5.43913 5.62671 8.65524 10.2447 numMergedOcc 0
15 mol 48 unq 10 iso 0 dist 8.26877 9.53255 4.22002 5.39197 8.22812 6.87266 5.43913 5.62671 8.96151 8.65524 numMergedOcc 0
16 mol 48 unq 11 iso 0 dist 8.26877 9.53255 4.22002 7.75132 5.77855 3.23184 5.43913 5.62671 8.96151 9.02535 numMergedOcc 0
17 mol 48 unq 12 iso 0 dist 8.26877 9.53255 4.22002 14.2848 8.10774 4.78728 5.43913 5.62671 8.96151 13.4006 numMergedOcc 0
18 mol 48 unq 13 iso 0 dist 8.26877 9.53255 4.22002 12.4977 6.5241 5.61785 5.43913 5.62671 8.96151 10.2447 numMergedOcc 0
19 mol 48 unq 14 iso 0 dist 8.26877 7.75132 5.77855 5.39197 8.22812 4.62605 5.43913 5.62671 9.02535 8.65524 numMergedOcc 0
20 mol 48 unq 15 iso 0 dist 8.26877 7.75132 5.77855 9.53255 4.22002 3.23184 5.43913 5.62671 9.02535 8.96151 numMergedOcc 0
21 mol 48 unq 16 iso 0 dist 8.26877 7.75132 5.77855 14.2848 8.10774 7.18912 5.43913 5.62671 9.02535 13.4006 numMergedOcc 0
22 mol 48 unq 17 iso 0 dist 8.26877 7.75132 5.77855 12.4977 6.5241 8.43495 5.43913 5.62671 9.02535 10.2447 numMergedOcc 0
23 mol 48 unq 18 iso 0 dist 8.26877 12.4977 6.5241 5.39197 8.22812 10.1674 15.7674 8.66712 5.54472 14.8981 numMergedOcc 0
24 mol 48 unq 19 iso 0 dist 8.26877 12.4977 6.5241 5.39197 8.22812 10.1674 16.3703 9.07711 8.62369 16.5858 numMergedOcc 0
25 mol 48 unq 20 iso 0 dist 8.26877 12.4977 6.5241 9.53255 4.22002 5.61785 15.7674 8.66712 5.54472 9.83205 numMergedOcc 0
26 mol 48 unq 21 iso 0 dist 8.26877 12.4977 6.5241 9.53255 4.22002 5.61785 16.3703 9.07711 8.62369 11.444 numMergedOcc 0
27 mol 48 unq 22 iso 0 dist 8.26877 12.4977 6.5241 7.75132 5.77855 8.43495 15.7674 8.66712 5.54472 12.8664 numMergedOcc 0
28 mol 48 unq 23 iso 0 dist 8.26877 12.4977 6.5241 7.75132 5.77855 8.43495 16.3703 9.07711 8.62369 14.2734 numMergedOcc 0
29 mol 48 unq 24 iso 0 dist 8.26877 12.4977 6.5241 14.2848 8.10774 6.20957 15.7674 8.66712 5.54472 9.84914 numMergedOcc 0
30 mol 48 unq 25 iso 0 dist 8.26877 12.4977 6.5241 14.2848 8.10774 6.20957 16.3703 9.07711 8.62369 11.9942 numMergedOcc 0
31 mol 48 unq 26 iso 0 dist 7.99434 12.2756 8.22812 8.12843 4.22002 6.87266 11.9764 5.62671 8.65524 8.96151 numMergedOcc 0
32 mol 48 unq 27 iso 0 dist 7.99434 12.2756 8.22812 8.16676 5.77855 4.62605 11.9764 5.62671 8.65524 9.02535 numMergedOcc 0
33 mol 48 unq 28 iso 0 dist 7.99434 12.2756 8.22812 9.72202 8.10774 10.9047 11.9764 5.62671 8.65524 13.4006 numMergedOcc 0
34 mol 48 unq 29 iso 0 dist 7.99434 12.2756 8.22812 12.7252 6.5241 10.1674 11.9764 5.62671 8.65524 10.2447 numMergedOcc 0
35 mol 48 unq 30 iso 0 dist 7.99434 8.12843 4.22002 12.2756 8.22812 6.87266 11.9764 5.62671 8.96151 8.65524 numMergedOcc 0
36 mol 48 unq 31 iso 0 dist 7.99434 8.12843 4.22002 8.16676 5.77855 3.23184 11.9764 5.62671 8.96151 9.02535 numMergedOcc 0
37 mol 48 unq 32 iso 0 dist 7.99434 8.12843 4.22002 9.72202 8.10774 4.78728 11.9764 5.62671 8.96151 13.4006 numMergedOcc 0
38 mol 48 unq 33 iso 0 dist 7.99434 8.12843 4.22002 12.7252 6.5241 5.61785 11.9764 5.62671 8.96151 10.2447 numMergedOcc 0
39 mol 48 unq 34 iso 0 dist 7.99434 8.16676 5.77855 12.2756 8.22812 4.62605 11.9764 5.62671 9.02535 8.65524 numMergedOcc 0
40 mol 48 unq 35 iso 0 dist 7.99434 8.16676 5.77855 8.12843 4.22002 3.23184 11.9764 5.62671 9.02535 8.96151 numMergedOcc 0
41 mol 48 unq 36 iso 0 dist 7.99434 8.16676 5.77855 9.72202 8.10774 7.18912 11.9764 5.62671 9.02535 13.4006 numMergedOcc 0
42 mol 48 unq 37 iso 0 dist 7.99434 8.16676 5.77855 12.7252 6.5241 8.43495 11.9764 5.62671 9.02535 10.2447 numMergedOcc 0
43 mol 48 unq 38 iso 0 dist 7.99434 12.7252 6.5241 12.2756 8.22812 10.1674 14.5028 8.66712 5.54472 14.8981 numMergedOcc 0
44 mol 48 unq 39 iso 0 dist 7.99434 12.7252 6.5241 12.2756 8.22812 10.1674 14.0354 9.07711 8.62369 16.5858 numMergedOcc 0
45 mol 48 unq 40 iso 0 dist 7.99434 12.7252 6.5241 8.12843 4.22002 5.61785 14.5028 8.66712 5.54472 9.83205 numMergedOcc 0
46 mol 48 unq 41 iso 0 dist 7.99434 12.7252 6.5241 8.12843 4.22002 5.61785 14.0354 9.07711 8.62369 11.444 numMergedOcc 0
47 mol 48 unq 42 iso 0 dist 7.99434 12.7252 6.5241 8.16676 5.77855 8.43495 14.5028 8.66712 5.54472 12.8664 numMergedOcc 0
48 mol 48 unq 43 iso 0 dist 7.99434 12.7252 6.5241 8.16676 5.77855 8.43495 14.0354 9.07711 8.62369 14.2734 numMergedOcc 0
49 mol 48 unq 44 iso 0 dist 7.99434 12.7252 6.5241 9.72202 8.10774 6.20957 14.5028 8.66712 5.54472 9.84914 numMergedOcc 0
50 mol 48 unq 45 iso 0 dist 7.99434 12.7252 6.5241 9.72202 8.10774 6.20957 14.0354 9.07711 8.62369 11.9942 numMergedOcc 0
51 mol 48 unq 46 iso 0 dist 7.49794 11.8742 6.36817 13.819 8.14245 6.29252 15.2873 8.61401 5.37439 9.29472 numMergedOcc 0
52 mol 48 unq 47 iso 0 dist 7.49794 11.8742 6.36817 13.819 8.14245 6.29252 16.0126 9.16142 8.3714 11.3622 numMergedOcc 0
53 mol 48 unq 48 iso 0 dist 7.49794 11.8742 6.36817 5.44298 8.0812 9.94041 15.2873 8.61401 5.37439 14.7286 numMergedOcc 0
54 mol 48 unq 49 iso 0 dist 7.49794 11.8742 6.36817 5.44298 8.0812 9.94041 16.0126 9.16142 8.3714 16.5312 numMergedOcc 0
55 mol 48 unq 50 iso 0 dist 7.49794 11.8742 6.36817 9.10301 4.17933 5.553 15.2873 8.61401 5.37439 9.47823 numMergedOcc 0
56 mol 48 unq 51 iso 0 dist 7.49794 11.8742 6.36817 9.10301 4.17933 5.553 16.0126 9.16142 8.3714 11.095 numMergedOcc 0
57 mol 48 unq 52 iso 0 dist 7.49794 11.8742 6.36817 7.24268 5.54893 8.14415 15.2873 8.61401 5.37439 12.439 numMergedOcc 0
58 mol 48 unq 53 iso 0 dist 7.49794 11.8742 6.36817 7.24268 5.54893 8.14415 16.0126 9.16142 8.3714 13.9254 numMergedOcc 0
59 mol 48 unq 54 iso 0 dist 8.10222 12.6437 6.36817 9.57893 8.14245 6.29252 14.2863 8.61401 5.37439 9.29472 numMergedOcc 0
60 mol 48 unq 55 iso 0 dist 8.10222 12.6437 6.36817 9.57893 8.14245 6.29252 13.9526 9.16142 8.3714 11.3622 numMergedOcc 0
61 mol 48 unq 56 iso 0 dist 8.10222 12.6437 6.36817 12.0687 8.0812 9.94041 14.2863 8.61401 5.37439 14.7286 numMergedOcc 0
62 mol 48 unq 57 iso 0 dist 8.10222 12.6437 6.36817 12.0687 8.0812 9.94041 13.9526 9.16142 8.3714 16.5312 numMergedOcc 0
63 mol 48 unq 58 iso 0 dist 8.10222 12.6437 6.36817 7.88988 4.17933 5.553 14.2863 8.61401 5.37439 9.47823 numMergedOcc 0
64 mol 48 unq 59 iso 0 dist 8.10222 12.6437 6.36817 7.88988 4.17933 5.553 13.9526 9.16142 8.3714 11.095 numMergedOcc 0
65 mol 48 unq 60 iso 0 dist 8.10222 12.6437 6.36817 8.00934 5.54893 8.14415 14.2863 8.61401 5.37439 12.439 numMergedOcc 0
66 mol 48 unq 61 iso 0 dist 8.10222 12.6437 6.36817 8.00934 5.54893 8.14415 13.9526 9.16142 8.3714 13.9254 numMergedOcc 0
67 mol 78 unq 0 iso 0 dist 6.11101 7.38398 8.61143 5.72585 9.07629 8.09729 14.6801 11.9667 8.79979 15.642 numMergedOcc 0
68 mol 79 unq 0 iso 0 dist 7.75543 4.08459 4.808 6.51961 4.15789 5.30569 10.1173 7.13643 6.20144 9.56766 numMergedOcc 0
69 mol 83 unq 0 iso 0 dist 7.69755 6.83349 6.96722 4.12785 7.50925 6.91034 11.7964 5.72008 7.61085 11.9491 numMergedOcc 0
70 mol 83 unq 1 iso 0 dist 9.64197 8.6522 6.96722 9.58199 7.50925 6.91034 11.9669 5.72008 7.61085 11.9491 numMergedOcc 0
71 mol 85 unq 0 iso 0 dist 8.66427 13.8217 7.04244 5.26904 7.07839 10.1082 10.9038 2.58673 6.67137 9.52926 numMergedOcc 0
72 mol 85 unq 1 iso 0 dist 8.66427 13.8217 7.04244 11.9441 9.09711 10.1757 10.9038 2.58673 6.67137 10.9264 numMergedOcc 0
73 mol 85 unq 2 iso 0 dist 8.66427 13.8217 7.04244 6.77316 7.91193 11.3346 10.9038 2.58673 6.67137 10.4386 numMergedOcc 0
74 mol 85 unq 3 iso 0 dist 8.66427 13.8217 7.04244 9.54731 9.63449 15.509 10.9038 2.58673 6.67137 9.78707 numMergedOcc 0
75 mol 85 unq 4 iso 0 dist 8.66427 9.54731 9.63449 5.26904 7.07839 12.8332 10.9038 2.58673 9.78707 9.52926 numMergedOcc 0
76 mol 85 unq 5 iso 0 dist 8.66427 9.54731 9.63449 11.9441 9.09711 17.7038 10.9038 2.58673 9.78707 10.9264 numMergedOcc 0
77 mol 85 unq 6 iso 0 dist 8.66427 9.54731 9.63449 13.8217 7.04244 15.509 10.9038 2.58673 9.78707 6.67137 numMergedOcc 0
78 mol 85 unq 7 iso 0 dist 8.66427 9.54731 9.63449 6.77316 7.91193 14.2704 10.9038 2.58673 9.78707 10.4386 numMergedOcc 0
79 mol 85 unq 8 iso 0 dist 7.51319 6.90443 6.67137 17.0873 9.78707 15.509 8.49887 2.58673 7.04244 9.63449 numMergedOcc 0
80 mol 85 unq 9 iso 0 dist 7.51319 17.0873 9.78707 6.90443 6.67137 15.509 8.49887 2.58673 9.63449 7.04244 numMergedOcc 0
81 mol 85 unq 10 iso 0 dist 8.49887 6.90443 7.04244 13.5026 7.07839 10.1082 7.51319 2.58673 6.67137 9.52926 numMergedOcc 0
82 mol 85 unq 11 iso 0 dist 8.49887 6.90443 7.04244 10.1386 9.09711 10.1757 7.51319 2.58673 6.67137 10.9264 numMergedOcc 0
83 mol 85 unq 12 iso 0 dist 8.49887 6.90443 7.04244 13.1772 7.91193 11.3346 7.51319 2.58673 6.67137 10.4386 numMergedOcc 0
84 mol 85 unq 13 iso 0 dist 8.49887 6.90443 7.04244 17.0873 9.63449 15.509 7.51319 2.58673 6.67137 9.78707 numMergedOcc 0
85 mol 85 unq 14 iso 0 dist 8.49887 17.0873 9.63449 13.5026 7.07839 12.8332 7.51319 2.58673 9.78707 9.52926 numMergedOcc 0
86 mol 85 unq 15 iso 0 dist 8.49887 17.0873 9.63449 10.1386 9.09711 17.7038 7.51319 2.58673 9.78707 10.9264 numMergedOcc 0
87 mol 85 unq 16 iso 0 dist 8.49887 17.0873 9.63449 6.90443 7.04244 15.509 7.51319 2.58673 9.78707 6.67137 numMergedOcc 0
88 mol 85 unq 17 iso 0 dist 8.49887 17.0873 9.63449 13.1772 7.91193 14.2704 7.51319 2.58673 9.78707 10.4386 numMergedOcc 0
89 mol 85 unq 18 iso 0 dist 9.43839 14.6513 6.67137 4.43737 9.78707 15.509 10.329 2.58673 7.04244 9.63449 numMergedOcc 0
90 mol 85 unq 19 iso 0 dist 9.43839 4.43737 9.78707 14.6513 6.67137 15.509 10.329 2.58673 9.63449 7.04244 numMergedOcc 0
91 mol 111 unq 0 iso 0 dist 8.11813 6.42834 4.91212 15.1151 9.34782 8.72808 11.2906 6.13173 9.74162 12.5922 numMergedOcc 0
92 mol 186 unq 0 iso 0 dist 4.79423 5.86994 7.25595 8.74892 9.94825 12.8007 6.97766 6.13455 4.87942 14.922 numMergedOcc 0
93 mol 194 unq 0 iso 0 dist 9.81055 11.7008 4.68722 14.7138 5.18325 5.61057 7.56217 3.78714 5.10542 7.52366 numMergedOcc 0
94 mol 204 unq 0 iso 0 dist 8.77524 10.6524 8.32259 9.88337 9.93489 2.95898 8.59764 8.59834 8.54737 7.64057 numMergedOcc 0
95 mol 204 unq 1 iso 0 dist 8.77524 9.88337 9.93489 10.6524 8.32259 2.95898 8.59764 8.59834 7.64057 8.54737 numMergedOcc 0
96 mol 204 unq 2 iso 0 dist 9.26192 13.8736 9.93489 6.40044 7.64057 8.59834 10.6368 2.95898 8.32259 8.54737 numMergedOcc 0
97 mol 204 unq 3 iso 0 dist 9.26192 6.40044 7.64057 13.8736 9.93489 8.59834 10.6368 2.95898 8.54737 8.32259 numMergedOcc 0
98 mol 266 unq 0 iso 0 dist 6.48382 7.52317 8.25286 5.79323 6.96692 5.76129 14.5631 11.938 7.8598 10.9313 numMergedOcc 0
99 mol 266 unq 1 iso 0 dist 6.48382 7.52317 8.25286 9.52953 9.9965 3.00605 14.5631 11.938 7.8598 7.80711 numMergedOcc 0
100 mol 266 unq 2 iso 0 dist 6.48382 9.52953 9.9965 5.79323 6.96692 8.75066 14.5631 11.938 7.80711 10.9313 numMergedOcc 0
101 mol 266 unq 3 iso 0 dist 6.48382 9.52953 9.9965 7.52317 8.25286 3.00605 14.5631 11.938 7.80711 7.8598 numMergedOcc 0
102 mol 266 unq 4 iso 0 dist 7.36137 12.2408 7.8598 13.1028 8.25286 11.938 4.95415 3.00605 7.80711 9.9965 numMergedOcc 0
103 mol 266 unq 5 iso 0 dist 7.36137 13.1028 8.25286 12.2408 7.8598 11.938 12.5804 5.76129 6.96692 10.9313 numMergedOcc 0
104 mol 266 unq 6 iso 0 dist 7.36137 13.1028 8.25286 12.2408 7.8598 11.938 4.95415 3.00605 9.9965 7.80711 numMergedOcc 0
105 mol 266 unq 7 iso 0 dist 6.83784 5.34431 7.8598 8.39575 8.25286 11.938 6.38519 3.00605 7.80711 9.9965 numMergedOcc 0
106 mol 266 unq 8 iso 0 dist 6.83784 8.39575 8.25286 5.34431 7.8598 11.938 10.3164 5.76129 6.96692 10.9313 numMergedOcc 0
107 mol 266 unq 9 iso 0 dist 6.83784 8.39575 8.25286 5.34431 7.8598 11.938 6.38519 3.00605 9.9965 7.80711 numMergedOcc 0
108 mol 266 unq 10 iso 0 dist 4.95415 12.2408 7.80711 13.1028 9.9965 11.938 7.36137 3.00605 7.8598 8.25286 numMergedOcc 0
109 mol 266 unq 11 iso 0 dist 4.95415 13.1028 9.9965 12.2408 7.80711 11.938 12.5804 8.75066 6.96692 10.9313 numMergedOcc 0
110 mol 266 unq 12 iso 0 dist 4.95415 13.1028 9.9965 12.2408 7.80711 11.938 7.36137 3.00605 8.25286 7.8598 numMergedOcc 0
111 mol 266 unq 13 iso 0 dist 6.38519 5.34431 7.80711 8.39575 9.9965 11.938 6.83784 3.00605 7.8598 8.25286 numMergedOcc 0
112 mol 266 unq 14 iso 0 dist 6.38519 8.39575 9.9965 5.34431 7.80711 11.938 10.3164 8.75066 6.96692 10.9313 numMergedOcc 0
113 mol 266 unq 15 iso 0 dist 6.38519 8.39575 9.9965 5.34431 7.80711 11.938 6.83784 3.00605 8.25286 7.8598 numMergedOcc 0
