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1 mol 5 unq 0 iso 1 dist 7.64769 8.31759 4.73885 3.50411 8.68577 8.13672 numMergedOcc 0
2 mol 5 unq 1 iso 0 dist 7.64769 9.70883 4.84696 4.73885 8.31759 11.5358 numMergedOcc 0
3 mol 5 unq 1 iso 1 dist 7.64769 8.31759 4.73885 4.84696 9.70883 11.5358 numMergedOcc 0
4 mol 5 unq 2 iso 0 dist 8.31759 8.13672 3.50411 4.73885 7.64769 8.68577 numMergedOcc 0
5 mol 5 unq 2 iso 1 dist 8.31759 7.64769 4.73885 3.50411 8.13672 8.68577 numMergedOcc 0
6 mol 5 unq 3 iso 0 dist 8.68577 7.64769 3.50411 4.73885 8.13672 8.31759 numMergedOcc 0
7 mol 5 unq 3 iso 1 dist 8.68577 8.13672 4.73885 3.50411 7.64769 8.31759 numMergedOcc 0
8 mol 5 unq 4 iso 0 dist 8.68577 9.70883 5.30421 4.73885 8.13672 11.5358 numMergedOcc 0
9 mol 5 unq 4 iso 1 dist 8.68577 8.13672 4.73885 5.30421 9.70883 11.5358 numMergedOcc 0
10 mol 5 unq 5 iso 0 dist 8.13672 8.31759 3.50411 4.73885 8.68577 7.64769 numMergedOcc 0
11 mol 5 unq 5 iso 1 dist 8.13672 8.68577 4.73885 3.50411 8.31759 7.64769 numMergedOcc 0
12 mol 5 unq 6 iso 0 dist 9.70883 7.64769 4.84696 16.0393 9.65565 14.0944 numMergedOcc 0
13 mol 5 unq 6 iso 1 dist 9.70883 9.65565 16.0393 4.84696 7.64769 14.0944 numMergedOcc 0
14 mol 5 unq 7 iso 0 dist 9.70883 8.68577 5.30421 16.0393 9.65565 12.7584 numMergedOcc 0
15 mol 5 unq 7 iso 1 dist 9.70883 9.65565 16.0393 5.30421 8.68577 12.7584 numMergedOcc 0
16 mol 48 unq 0 iso 0 dist 8.65524 8.22812 5.62671 6.87266 8.96151 4.22002 numMergedOcc 0
17 mol 48 unq 0 iso 1 dist 8.65524 8.96151 6.87266 5.62671 8.22812 4.22002 numMergedOcc 0
18 mol 48 unq 1 iso 0 dist 8.65524 8.22812 5.62671 4.62605 9.02535 5.77855 numMergedOcc 0
19 mol 48 unq 1 iso 1 dist 8.65524 9.02535 4.62605 5.62671 8.22812 5.77855 numMergedOcc 0
20 mol 48 unq 2 iso 0 dist 8.96151 4.22002 5.62671 6.87266 8.65524 8.22812 numMergedOcc 0
21 mol 48 unq 2 iso 1 dist 8.96151 8.65524 6.87266 5.62671 4.22002 8.22812 numMergedOcc 0
22 mol 48 unq 3 iso 0 dist 8.96151 4.22002 5.62671 3.23184 9.02535 5.77855 numMergedOcc 0
23 mol 48 unq 3 iso 1 dist 8.96151 9.02535 3.23184 5.62671 4.22002 5.77855 numMergedOcc 0
24 mol 48 unq 4 iso 0 dist 9.02535 5.77855 5.62671 4.62605 8.65524 8.22812 numMergedOcc 0
25 mol 48 unq 4 iso 1 dist 9.02535 8.65524 4.62605 5.62671 5.77855 8.22812 numMergedOcc 0
26 mol 48 unq 5 iso 0 dist 9.02535 5.77855 5.62671 3.23184 8.96151 4.22002 numMergedOcc 0
27 mol 48 unq 5 iso 1 dist 9.02535 8.96151 3.23184 5.62671 5.77855 4.22002 numMergedOcc 0
28 mol 48 unq 6 iso 0 dist 8.22812 8.65524 5.62671 6.87266 4.22002 8.96151 numMergedOcc 0
29 mol 48 unq 6 iso 1 dist 8.22812 4.22002 6.87266 5.62671 8.65524 8.96151 numMergedOcc 0
30 mol 48 unq 7 iso 0 dist 8.22812 8.65524 5.62671 4.62605 5.77855 9.02535 numMergedOcc 0
31 mol 48 unq 7 iso 1 dist 8.22812 5.77855 4.62605 5.62671 8.65524 9.02535 numMergedOcc 0
32 mol 48 unq 8 iso 0 dist 8.22812 8.65524 5.62671 10.9047 8.10774 13.4006 numMergedOcc 0
33 mol 48 unq 8 iso 1 dist 8.22812 8.10774 10.9047 5.62671 8.65524 13.4006 numMergedOcc 0
34 mol 48 unq 9 iso 0 dist 8.22812 8.65524 5.62671 10.1674 6.5241 10.2447 numMergedOcc 0
35 mol 48 unq 9 iso 1 dist 8.22812 6.5241 10.1674 5.62671 8.65524 10.2447 numMergedOcc 0
36 mol 48 unq 10 iso 0 dist 4.22002 8.96151 5.62671 6.87266 8.22812 8.65524 numMergedOcc 0
37 mol 48 unq 10 iso 1 dist 4.22002 8.22812 6.87266 5.62671 8.96151 8.65524 numMergedOcc 0
38 mol 48 unq 11 iso 0 dist 4.22002 8.96151 5.62671 3.23184 5.77855 9.02535 numMergedOcc 0
39 mol 48 unq 11 iso 1 dist 4.22002 5.77855 3.23184 5.62671 8.96151 9.02535 numMergedOcc 0
40 mol 48 unq 12 iso 0 dist 4.22002 8.96151 5.62671 4.78728 8.10774 13.4006 numMergedOcc 0
41 mol 48 unq 12 iso 1 dist 4.22002 8.10774 4.78728 5.62671 8.96151 13.4006 numMergedOcc 0
42 mol 48 unq 13 iso 0 dist 4.22002 8.96151 5.62671 5.61785 6.5241 10.2447 numMergedOcc 0
43 mol 48 unq 13 iso 1 dist 4.22002 6.5241 5.61785 5.62671 8.96151 10.2447 numMergedOcc 0
44 mol 48 unq 14 iso 0 dist 5.77855 9.02535 5.62671 4.62605 8.22812 8.65524 numMergedOcc 0
45 mol 48 unq 14 iso 1 dist 5.77855 8.22812 4.62605 5.62671 9.02535 8.65524 numMergedOcc 0
46 mol 48 unq 15 iso 0 dist 5.77855 9.02535 5.62671 3.23184 4.22002 8.96151 numMergedOcc 0
47 mol 48 unq 15 iso 1 dist 5.77855 4.22002 3.23184 5.62671 9.02535 8.96151 numMergedOcc 0
48 mol 48 unq 16 iso 0 dist 5.77855 9.02535 5.62671 7.18912 8.10774 13.4006 numMergedOcc 0
49 mol 48 unq 16 iso 1 dist 5.77855 8.10774 7.18912 5.62671 9.02535 13.4006 numMergedOcc 0
50 mol 48 unq 17 iso 0 dist 5.77855 9.02535 5.62671 8.43495 6.5241 10.2447 numMergedOcc 0
51 mol 48 unq 17 iso 1 dist 5.77855 6.5241 8.43495 5.62671 9.02535 10.2447 numMergedOcc 0
52 mol 48 unq 18 iso 0 dist 6.5241 5.54472 8.66712 10.1674 8.22812 14.8981 numMergedOcc 0
53 mol 48 unq 18 iso 1 dist 6.5241 8.22812 10.1674 8.66712 5.54472 14.8981 numMergedOcc 0
54 mol 48 unq 19 iso 0 dist 6.5241 5.54472 8.66712 5.61785 4.22002 9.83205 numMergedOcc 0
55 mol 48 unq 19 iso 1 dist 6.5241 4.22002 5.61785 8.66712 5.54472 9.83205 numMergedOcc 0
56 mol 48 unq 20 iso 0 dist 6.5241 5.54472 8.66712 8.43495 5.77855 12.8664 numMergedOcc 0
57 mol 48 unq 20 iso 1 dist 6.5241 5.77855 8.43495 8.66712 5.54472 12.8664 numMergedOcc 0
58 mol 48 unq 21 iso 0 dist 6.5241 5.54472 8.66712 6.20957 8.10774 9.84914 numMergedOcc 0
59 mol 48 unq 21 iso 1 dist 6.5241 8.10774 6.20957 8.66712 5.54472 9.84914 numMergedOcc 0
60 mol 48 unq 22 iso 0 dist 6.5241 8.62369 9.07711 10.1674 8.22812 16.5858 numMergedOcc 0
61 mol 48 unq 22 iso 1 dist 6.5241 8.22812 10.1674 9.07711 8.62369 16.5858 numMergedOcc 0
62 mol 48 unq 23 iso 0 dist 6.5241 8.62369 9.07711 5.61785 4.22002 11.444 numMergedOcc 0
63 mol 48 unq 23 iso 1 dist 6.5241 4.22002 5.61785 9.07711 8.62369 11.444 numMergedOcc 0
64 mol 48 unq 24 iso 0 dist 6.5241 8.62369 9.07711 8.43495 5.77855 14.2734 numMergedOcc 0
65 mol 48 unq 24 iso 1 dist 6.5241 5.77855 8.43495 9.07711 8.62369 14.2734 numMergedOcc 0
66 mol 48 unq 25 iso 0 dist 6.5241 8.62369 9.07711 6.20957 8.10774 11.9942 numMergedOcc 0
67 mol 48 unq 25 iso 1 dist 6.5241 8.10774 6.20957 9.07711 8.62369 11.9942 numMergedOcc 0
68 mol 48 unq 26 iso 0 dist 6.36817 5.37439 8.61401 6.29252 8.14245 9.29472 numMergedOcc 0
69 mol 48 unq 26 iso 1 dist 6.36817 8.14245 6.29252 8.61401 5.37439 9.29472 numMergedOcc 0
70 mol 48 unq 27 iso 0 dist 6.36817 5.37439 8.61401 9.94041 8.0812 14.7286 numMergedOcc 0
71 mol 48 unq 27 iso 1 dist 6.36817 8.0812 9.94041 8.61401 5.37439 14.7286 numMergedOcc 0
72 mol 48 unq 28 iso 0 dist 6.36817 5.37439 8.61401 5.553 4.17933 9.47823 numMergedOcc 0
73 mol 48 unq 28 iso 1 dist 6.36817 4.17933 5.553 8.61401 5.37439 9.47823 numMergedOcc 0
74 mol 48 unq 29 iso 0 dist 6.36817 5.37439 8.61401 8.14415 5.54893 12.439 numMergedOcc 0
75 mol 48 unq 29 iso 1 dist 6.36817 5.54893 8.14415 8.61401 5.37439 12.439 numMergedOcc 0
76 mol 48 unq 30 iso 0 dist 6.36817 8.3714 9.16142 6.29252 8.14245 11.3622 numMergedOcc 0
77 mol 48 unq 30 iso 1 dist 6.36817 8.14245 6.29252 9.16142 8.3714 11.3622 numMergedOcc 0
78 mol 48 unq 31 iso 0 dist 6.36817 8.3714 9.16142 9.94041 8.0812 16.5312 numMergedOcc 0
79 mol 48 unq 31 iso 1 dist 6.36817 8.0812 9.94041 9.16142 8.3714 16.5312 numMergedOcc 0
80 mol 48 unq 32 iso 0 dist 6.36817 8.3714 9.16142 5.553 4.17933 11.095 numMergedOcc 0
81 mol 48 unq 32 iso 1 dist 6.36817 4.17933 5.553 9.16142 8.3714 11.095 numMergedOcc 0
82 mol 48 unq 33 iso 0 dist 6.36817 8.3714 9.16142 8.14415 5.54893 13.9254 numMergedOcc 0
83 mol 48 unq 33 iso 1 dist 6.36817 5.54893 8.14415 9.16142 8.3714 13.9254 numMergedOcc 0
84 mol 78 unq 0 iso 0 dist 8.61143 8.79979 11.9667 8.09729 9.07629 15.642 numMergedOcc 0
85 mol 78 unq 0 iso 1 dist 8.61143 9.07629 8.09729 11.9667 8.79979 15.642 numMergedOcc 0
86 mol 78 unq 1 iso 0 dist 8.79979 8.61143 11.9667 3.46822 8.42738 11.407 numMergedOcc 0
87 mol 78 unq 1 iso 1 dist 8.79979 8.42738 3.46822 11.9667 8.61143 11.407 numMergedOcc 0
88 mol 79 unq 0 iso 0 dist 4.808 4.15789 5.30569 7.13643 6.20144 9.56766 numMergedOcc 0
89 mol 79 unq 0 iso 1 dist 4.808 6.20144 7.13643 5.30569 4.15789 9.56766 numMergedOcc 0
90 mol 83 unq 0 iso 0 dist 6.96722 7.50925 6.91034 5.72008 7.61085 11.9491 numMergedOcc 0
91 mol 83 unq 0 iso 1 dist 6.96722 7.61085 5.72008 6.91034 7.50925 11.9491 numMergedOcc 0
92 mol 85 unq 0 iso 0 dist 6.67137 9.78707 15.509 2.58673 7.04244 9.63449 numMergedOcc 0
93 mol 85 unq 0 iso 1 dist 6.67137 7.04244 2.58673 15.509 9.78707 9.63449 numMergedOcc 0
94 mol 85 unq 1 iso 0 dist 7.04244 7.91193 11.3346 2.58673 6.67137 10.4386 numMergedOcc 0
95 mol 85 unq 1 iso 1 dist 7.04244 6.67137 2.58673 11.3346 7.91193 10.4386 numMergedOcc 0
96 mol 85 unq 2 iso 0 dist 7.04244 7.07839 10.1082 2.58673 6.67137 9.52926 numMergedOcc 0
97 mol 85 unq 2 iso 1 dist 7.04244 6.67137 2.58673 10.1082 7.07839 9.52926 numMergedOcc 0
98 mol 85 unq 3 iso 0 dist 7.04244 9.09711 10.1757 2.58673 6.67137 10.9264 numMergedOcc 0
99 mol 85 unq 3 iso 1 dist 7.04244 6.67137 2.58673 10.1757 9.09711 10.9264 numMergedOcc 0
100 mol 85 unq 4 iso 0 dist 7.04244 9.63449 15.509 2.58673 6.67137 9.78707 numMergedOcc 0
101 mol 85 unq 4 iso 1 dist 7.04244 6.67137 2.58673 15.509 9.63449 9.78707 numMergedOcc 0
102 mol 85 unq 5 iso 0 dist 9.78707 6.67137 15.509 2.58673 9.63449 7.04244 numMergedOcc 0
103 mol 85 unq 5 iso 1 dist 9.78707 9.63449 2.58673 15.509 6.67137 7.04244 numMergedOcc 0
104 mol 85 unq 6 iso 0 dist 9.63449 7.91193 14.2704 2.58673 9.78707 10.4386 numMergedOcc 0
105 mol 85 unq 6 iso 1 dist 9.63449 9.78707 2.58673 14.2704 7.91193 10.4386 numMergedOcc 0
106 mol 85 unq 7 iso 0 dist 9.63449 7.07839 12.8332 2.58673 9.78707 9.52926 numMergedOcc 0
107 mol 85 unq 7 iso 1 dist 9.63449 9.78707 2.58673 12.8332 7.07839 9.52926 numMergedOcc 0
108 mol 85 unq 8 iso 0 dist 9.63449 7.04244 15.509 2.58673 9.78707 6.67137 numMergedOcc 0
109 mol 85 unq 8 iso 1 dist 9.63449 9.78707 2.58673 15.509 7.04244 6.67137 numMergedOcc 0
110 mol 85 unq 9 iso 0 dist 9.63449 9.09711 17.7038 2.58673 9.78707 10.9264 numMergedOcc 0
111 mol 85 unq 9 iso 1 dist 9.63449 9.78707 2.58673 17.7038 9.09711 10.9264 numMergedOcc 0
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113 mol 111 unq 0 iso 1 dist 4.91212 9.74162 6.13173 8.72808 9.34782 12.5922 numMergedOcc 0
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115 mol 113 unq 0 iso 1 dist 5.31126 7.16619 2.75715 5.7147 4.49669 5.88896 numMergedOcc 0
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117 mol 113 unq 1 iso 1 dist 5.31126 7.16619 2.75715 8.09465 6.00221 7.84239 numMergedOcc 0
118 mol 113 unq 2 iso 0 dist 7.16619 5.88896 5.7147 2.75715 5.31126 4.49669 numMergedOcc 0
119 mol 113 unq 2 iso 1 dist 7.16619 5.31126 2.75715 5.7147 5.88896 4.49669 numMergedOcc 0
120 mol 113 unq 3 iso 0 dist 4.49669 5.31126 5.7147 2.75715 5.88896 7.16619 numMergedOcc 0
121 mol 113 unq 3 iso 1 dist 4.49669 5.88896 2.75715 5.7147 5.31126 7.16619 numMergedOcc 0
122 mol 113 unq 4 iso 0 dist 4.49669 6.00221 3.74304 2.75715 5.88896 7.84239 numMergedOcc 0
123 mol 113 unq 4 iso 1 dist 4.49669 5.88896 2.75715 3.74304 6.00221 7.84239 numMergedOcc 0
124 mol 113 unq 5 iso 0 dist 5.88896 7.16619 5.7147 2.75715 4.49669 5.31126 numMergedOcc 0
125 mol 113 unq 5 iso 1 dist 5.88896 4.49669 2.75715 5.7147 7.16619 5.31126 numMergedOcc 0
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127 mol 115 unq 0 iso 1 dist 5.86379 8.64686 3.66281 3.19822 6.21029 8.16325 numMergedOcc 0
128 mol 115 unq 1 iso 0 dist 8.64686 8.16325 3.19822 3.66281 5.86379 6.21029 numMergedOcc 0
129 mol 115 unq 1 iso 1 dist 8.64686 5.86379 3.66281 3.19822 8.16325 6.21029 numMergedOcc 0
130 mol 115 unq 2 iso 0 dist 6.21029 5.86379 3.19822 3.66281 8.16325 8.64686 numMergedOcc 0
131 mol 115 unq 2 iso 1 dist 6.21029 8.16325 3.66281 3.19822 5.86379 8.64686 numMergedOcc 0
132 mol 115 unq 3 iso 0 dist 8.16325 8.64686 3.19822 3.66281 6.21029 5.86379 numMergedOcc 0
133 mol 115 unq 3 iso 1 dist 8.16325 6.21029 3.66281 3.19822 8.64686 5.86379 numMergedOcc 0
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135 mol 120 unq 0 iso 1 dist 7.84207 6.98791 5.26524 8.68088 8.56947 11.3644 numMergedOcc 0
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137 mol 120 unq 1 iso 1 dist 6.98791 7.84207 5.26524 5.7181 9.31385 11.8836 numMergedOcc 0
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141 mol 123 unq 1 iso 1 dist 8.03692 5.36214 13.0033 8.77423 8.78115 12.1434 numMergedOcc 0
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143 mol 147 unq 0 iso 1 dist 3.82583 5.19116 3.00464 4.68125 8.25768 8.71702 numMergedOcc 0
144 mol 147 unq 1 iso 0 dist 5.19116 8.71702 4.68125 3.00464 3.82583 8.25768 numMergedOcc 0
145 mol 147 unq 1 iso 1 dist 5.19116 3.82583 3.00464 4.68125 8.71702 8.25768 numMergedOcc 0
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148 mol 147 unq 3 iso 0 dist 8.71702 5.19116 4.68125 3.00464 8.25768 3.82583 numMergedOcc 0
149 mol 147 unq 3 iso 1 dist 8.71702 8.25768 3.00464 4.68125 5.19116 3.82583 numMergedOcc 0
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151 mol 186 unq 0 iso 1 dist 7.25595 9.94825 12.8007 6.13455 4.87942 14.922 numMergedOcc 0
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153 mol 194 unq 0 iso 1 dist 4.68722 5.10542 3.78714 5.61057 5.18325 7.52366 numMergedOcc 0
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159 mol 204 unq 2 iso 1 dist 9.93489 7.64057 8.59834 2.95898 8.32259 8.54737 numMergedOcc 0
160 mol 204 unq 3 iso 0 dist 7.64057 8.54737 2.95898 8.59834 9.93489 8.32259 numMergedOcc 0
161 mol 204 unq 3 iso 1 dist 7.64057 9.93489 8.59834 2.95898 8.54737 8.32259 numMergedOcc 0
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167 mol 266 unq 1 iso 1 dist 8.25286 7.8598 11.938 5.76129 6.96692 10.9313 numMergedOcc 0
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169 mol 266 unq 2 iso 1 dist 8.25286 7.8598 11.938 3.00605 9.9965 7.80711 numMergedOcc 0
170 mol 266 unq 3 iso 0 dist 7.80711 7.8598 3.00605 11.938 9.9965 8.25286 numMergedOcc 0
171 mol 266 unq 3 iso 1 dist 7.80711 9.9965 11.938 3.00605 7.8598 8.25286 numMergedOcc 0
172 mol 266 unq 4 iso 0 dist 9.9965 6.96692 8.75066 11.938 7.80711 10.9313 numMergedOcc 0
173 mol 266 unq 4 iso 1 dist 9.9965 7.80711 11.938 8.75066 6.96692 10.9313 numMergedOcc 0
174 mol 266 unq 5 iso 0 dist 9.9965 8.25286 3.00605 11.938 7.80711 7.8598 numMergedOcc 0
175 mol 266 unq 5 iso 1 dist 9.9965 7.80711 11.938 3.00605 8.25286 7.8598 numMergedOcc 0
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177 mol 277 unq 0 iso 1 dist 6.79748 6.53598 3.75238 13.9697 7.98956 11.2004 numMergedOcc 0
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179 mol 277 unq 1 iso 1 dist 6.79748 6.53598 3.75238 12.1514 5.86185 8.41856 numMergedOcc 0
180 mol 281 unq 0 iso 0 dist 6.69267 7.90368 12.7734 3.77058 6.56886 9.46544 numMergedOcc 0
181 mol 281 unq 0 iso 1 dist 6.69267 6.56886 3.77058 12.7734 7.90368 9.46544 numMergedOcc 0
182 mol 281 unq 1 iso 0 dist 6.56886 5.33372 10.2487 3.77058 6.69267 8.70938 numMergedOcc 0
183 mol 281 unq 1 iso 1 dist 6.56886 6.69267 3.77058 10.2487 5.33372 8.70938 numMergedOcc 0
