0 mol 5 unq 0 iso 0 dist 7.64769 8.68577 3.50411 9.70883 4.84696 5.30421 numMergedOcc 0
1 mol 5 unq 0 iso 1 dist 7.64769 9.70883 4.84696 8.68577 3.50411 5.30421 numMergedOcc 0
2 mol 5 unq 0 iso 2 dist 8.68577 7.64769 3.50411 9.70883 5.30421 4.84696 numMergedOcc 0
3 mol 5 unq 0 iso 3 dist 8.68577 9.70883 5.30421 7.64769 3.50411 4.84696 numMergedOcc 0
4 mol 5 unq 0 iso 4 dist 9.70883 7.64769 4.84696 8.68577 5.30421 3.50411 numMergedOcc 0
5 mol 5 unq 0 iso 5 dist 9.70883 8.68577 5.30421 7.64769 4.84696 3.50411 numMergedOcc 0
6 mol 28 unq 0 iso 0 dist 8.53424 7.08766 3.70336 4.82199 5.1533 3.0988 numMergedOcc 0
7 mol 28 unq 0 iso 1 dist 8.53424 4.82199 5.1533 7.08766 3.70336 3.0988 numMergedOcc 0
8 mol 28 unq 0 iso 2 dist 7.08766 8.53424 3.70336 4.82199 3.0988 5.1533 numMergedOcc 0
9 mol 28 unq 0 iso 3 dist 7.08766 4.82199 3.0988 8.53424 3.70336 5.1533 numMergedOcc 0
10 mol 28 unq 0 iso 4 dist 4.82199 8.53424 5.1533 7.08766 3.0988 3.70336 numMergedOcc 0
11 mol 28 unq 0 iso 5 dist 4.82199 7.08766 3.0988 8.53424 5.1533 3.70336 numMergedOcc 0
12 mol 48 unq 0 iso 0 dist 5.54472 8.62369 3.86264 6.5241 8.66712 9.07711 numMergedOcc 0
13 mol 48 unq 0 iso 1 dist 5.54472 6.5241 8.66712 8.62369 3.86264 9.07711 numMergedOcc 0
14 mol 48 unq 0 iso 2 dist 8.62369 5.54472 3.86264 6.5241 9.07711 8.66712 numMergedOcc 0
15 mol 48 unq 0 iso 3 dist 8.62369 6.5241 9.07711 5.54472 3.86264 8.66712 numMergedOcc 0
16 mol 48 unq 0 iso 4 dist 6.5241 5.54472 8.66712 8.62369 9.07711 3.86264 numMergedOcc 0
17 mol 48 unq 0 iso 5 dist 6.5241 8.62369 9.07711 5.54472 8.66712 3.86264 numMergedOcc 0
18 mol 48 unq 1 iso 0 dist 8.65524 8.96151 6.87266 9.02535 4.62605 3.23184 numMergedOcc 0
19 mol 48 unq 1 iso 1 dist 8.65524 9.02535 4.62605 8.96151 6.87266 3.23184 numMergedOcc 0
20 mol 48 unq 1 iso 2 dist 8.96151 8.65524 6.87266 9.02535 3.23184 4.62605 numMergedOcc 0
21 mol 48 unq 1 iso 3 dist 8.96151 9.02535 3.23184 8.65524 6.87266 4.62605 numMergedOcc 0
22 mol 48 unq 1 iso 4 dist 9.02535 8.65524 4.62605 8.96151 3.23184 6.87266 numMergedOcc 0
23 mol 48 unq 1 iso 5 dist 9.02535 8.96151 3.23184 8.65524 4.62605 6.87266 numMergedOcc 0
24 mol 48 unq 2 iso 0 dist 8.22812 4.22002 6.87266 5.77855 4.62605 3.23184 numMergedOcc 0
25 mol 48 unq 2 iso 1 dist 8.22812 5.77855 4.62605 4.22002 6.87266 3.23184 numMergedOcc 0
26 mol 48 unq 2 iso 2 dist 4.22002 8.22812 6.87266 5.77855 3.23184 4.62605 numMergedOcc 0
27 mol 48 unq 2 iso 3 dist 4.22002 5.77855 3.23184 8.22812 6.87266 4.62605 numMergedOcc 0
28 mol 48 unq 2 iso 4 dist 5.77855 8.22812 4.62605 4.22002 3.23184 6.87266 numMergedOcc 0
29 mol 48 unq 2 iso 5 dist 5.77855 4.22002 3.23184 8.22812 4.62605 6.87266 numMergedOcc 0
30 mol 48 unq 3 iso 0 dist 8.22812 4.22002 6.87266 8.10774 10.9047 4.78728 numMergedOcc 0
31 mol 48 unq 3 iso 1 dist 8.22812 8.10774 10.9047 4.22002 6.87266 4.78728 numMergedOcc 0
32 mol 48 unq 3 iso 2 dist 4.22002 8.22812 6.87266 8.10774 4.78728 10.9047 numMergedOcc 0
33 mol 48 unq 3 iso 3 dist 4.22002 8.10774 4.78728 8.22812 6.87266 10.9047 numMergedOcc 0
34 mol 48 unq 3 iso 4 dist 8.10774 8.22812 10.9047 4.22002 4.78728 6.87266 numMergedOcc 0
35 mol 48 unq 3 iso 5 dist 8.10774 4.22002 4.78728 8.22812 10.9047 6.87266 numMergedOcc 0
36 mol 48 unq 4 iso 0 dist 8.22812 4.22002 6.87266 6.5241 10.1674 5.61785 numMergedOcc 0
37 mol 48 unq 4 iso 1 dist 8.22812 6.5241 10.1674 4.22002 6.87266 5.61785 numMergedOcc 0
38 mol 48 unq 4 iso 2 dist 4.22002 8.22812 6.87266 6.5241 5.61785 10.1674 numMergedOcc 0
39 mol 48 unq 4 iso 3 dist 4.22002 6.5241 5.61785 8.22812 6.87266 10.1674 numMergedOcc 0
40 mol 48 unq 4 iso 4 dist 6.5241 8.22812 10.1674 4.22002 5.61785 6.87266 numMergedOcc 0
41 mol 48 unq 4 iso 5 dist 6.5241 4.22002 5.61785 8.22812 10.1674 6.87266 numMergedOcc 0
42 mol 48 unq 3 iso 0 dist 8.22812 5.77855 4.62605 8.10774 10.9047 7.18912 numMergedOcc 0
43 mol 48 unq 3 iso 1 dist 8.22812 8.10774 10.9047 5.77855 4.62605 7.18912 numMergedOcc 0
44 mol 48 unq 3 iso 2 dist 5.77855 8.22812 4.62605 8.10774 7.18912 10.9047 numMergedOcc 0
45 mol 48 unq 3 iso 3 dist 5.77855 8.10774 7.18912 8.22812 4.62605 10.9047 numMergedOcc 0
46 mol 48 unq 3 iso 4 dist 8.10774 8.22812 10.9047 5.77855 7.18912 4.62605 numMergedOcc 0
47 mol 48 unq 3 iso 5 dist 8.10774 5.77855 7.18912 8.22812 10.9047 4.62605 numMergedOcc 0
48 mol 48 unq 4 iso 0 dist 8.22812 5.77855 4.62605 6.5241 10.1674 8.43495 numMergedOcc 0
49 mol 48 unq 4 iso 1 dist 8.22812 6.5241 10.1674 5.77855 4.62605 8.43495 numMergedOcc 0
50 mol 48 unq 4 iso 2 dist 5.77855 8.22812 4.62605 6.5241 8.43495 10.1674 numMergedOcc 0
51 mol 48 unq 4 iso 3 dist 5.77855 6.5241 8.43495 8.22812 4.62605 10.1674 numMergedOcc 0
52 mol 48 unq 4 iso 4 dist 6.5241 8.22812 10.1674 5.77855 8.43495 4.62605 numMergedOcc 0
53 mol 48 unq 4 iso 5 dist 6.5241 5.77855 8.43495 8.22812 10.1674 4.62605 numMergedOcc 0
54 mol 48 unq 4 iso 0 dist 8.22812 8.10774 10.9047 6.5241 10.1674 6.20957 numMergedOcc 0
55 mol 48 unq 4 iso 1 dist 8.22812 6.5241 10.1674 8.10774 10.9047 6.20957 numMergedOcc 0
56 mol 48 unq 4 iso 2 dist 8.10774 8.22812 10.9047 6.5241 6.20957 10.1674 numMergedOcc 0
57 mol 48 unq 4 iso 3 dist 8.10774 6.5241 6.20957 8.22812 10.9047 10.1674 numMergedOcc 0
58 mol 48 unq 4 iso 4 dist 6.5241 8.22812 10.1674 8.10774 6.20957 10.9047 numMergedOcc 0
59 mol 48 unq 4 iso 5 dist 6.5241 8.10774 6.20957 8.22812 10.1674 10.9047 numMergedOcc 0
60 mol 48 unq 3 iso 0 dist 4.22002 5.77855 3.23184 8.10774 4.78728 7.18912 numMergedOcc 0
61 mol 48 unq 3 iso 1 dist 4.22002 8.10774 4.78728 5.77855 3.23184 7.18912 numMergedOcc 0
62 mol 48 unq 3 iso 2 dist 5.77855 4.22002 3.23184 8.10774 7.18912 4.78728 numMergedOcc 0
63 mol 48 unq 3 iso 3 dist 5.77855 8.10774 7.18912 4.22002 3.23184 4.78728 numMergedOcc 0
64 mol 48 unq 3 iso 4 dist 8.10774 4.22002 4.78728 5.77855 7.18912 3.23184 numMergedOcc 0
65 mol 48 unq 3 iso 5 dist 8.10774 5.77855 7.18912 4.22002 4.78728 3.23184 numMergedOcc 0
66 mol 48 unq 4 iso 0 dist 4.22002 5.77855 3.23184 6.5241 5.61785 8.43495 numMergedOcc 0
67 mol 48 unq 4 iso 1 dist 4.22002 6.5241 5.61785 5.77855 3.23184 8.43495 numMergedOcc 0
68 mol 48 unq 4 iso 2 dist 5.77855 4.22002 3.23184 6.5241 8.43495 5.61785 numMergedOcc 0
69 mol 48 unq 4 iso 3 dist 5.77855 6.5241 8.43495 4.22002 3.23184 5.61785 numMergedOcc 0
70 mol 48 unq 4 iso 4 dist 6.5241 4.22002 5.61785 5.77855 8.43495 3.23184 numMergedOcc 0
71 mol 48 unq 4 iso 5 dist 6.5241 5.77855 8.43495 4.22002 5.61785 3.23184 numMergedOcc 0
72 mol 48 unq 4 iso 0 dist 4.22002 8.10774 4.78728 6.5241 5.61785 6.20957 numMergedOcc 0
73 mol 48 unq 4 iso 1 dist 4.22002 6.5241 5.61785 8.10774 4.78728 6.20957 numMergedOcc 0
74 mol 48 unq 4 iso 2 dist 8.10774 4.22002 4.78728 6.5241 6.20957 5.61785 numMergedOcc 0
75 mol 48 unq 4 iso 3 dist 8.10774 6.5241 6.20957 4.22002 4.78728 5.61785 numMergedOcc 0
76 mol 48 unq 4 iso 4 dist 6.5241 4.22002 5.61785 8.10774 6.20957 4.78728 numMergedOcc 0
77 mol 48 unq 4 iso 5 dist 6.5241 8.10774 6.20957 4.22002 5.61785 4.78728 numMergedOcc 0
78 mol 48 unq 4 iso 0 dist 5.77855 8.10774 7.18912 6.5241 8.43495 6.20957 numMergedOcc 0
79 mol 48 unq 4 iso 1 dist 5.77855 6.5241 8.43495 8.10774 7.18912 6.20957 numMergedOcc 0
80 mol 48 unq 4 iso 2 dist 8.10774 5.77855 7.18912 6.5241 6.20957 8.43495 numMergedOcc 0
81 mol 48 unq 4 iso 3 dist 8.10774 6.5241 6.20957 5.77855 7.18912 8.43495 numMergedOcc 0
82 mol 48 unq 4 iso 4 dist 6.5241 5.77855 8.43495 8.10774 6.20957 7.18912 numMergedOcc 0
83 mol 48 unq 4 iso 5 dist 6.5241 8.10774 6.20957 5.77855 8.43495 7.18912 numMergedOcc 0
84 mol 48 unq 5 iso 0 dist 5.37439 8.3714 3.69391 6.36817 8.61401 9.16142 numMergedOcc 0
85 mol 48 unq 5 iso 1 dist 5.37439 6.36817 8.61401 8.3714 3.69391 9.16142 numMergedOcc 0
86 mol 48 unq 5 iso 2 dist 8.3714 5.37439 3.69391 6.36817 9.16142 8.61401 numMergedOcc 0
87 mol 48 unq 5 iso 3 dist 8.3714 6.36817 9.16142 5.37439 3.69391 8.61401 numMergedOcc 0
88 mol 48 unq 5 iso 4 dist 6.36817 5.37439 8.61401 8.3714 9.16142 3.69391 numMergedOcc 0
89 mol 48 unq 5 iso 5 dist 6.36817 8.3714 9.16142 5.37439 8.61401 3.69391 numMergedOcc 0
90 mol 48 unq 6 iso 0 dist 8.14245 6.36817 6.29252 8.0812 10.8994 9.94041 numMergedOcc 0
91 mol 48 unq 6 iso 1 dist 8.14245 8.0812 10.8994 6.36817 6.29252 9.94041 numMergedOcc 0
92 mol 48 unq 6 iso 2 dist 6.36817 8.14245 6.29252 8.0812 9.94041 10.8994 numMergedOcc 0
93 mol 48 unq 6 iso 3 dist 6.36817 8.0812 9.94041 8.14245 6.29252 10.8994 numMergedOcc 0
94 mol 48 unq 6 iso 4 dist 8.0812 8.14245 10.8994 6.36817 9.94041 6.29252 numMergedOcc 0
95 mol 48 unq 6 iso 5 dist 8.0812 6.36817 9.94041 8.14245 10.8994 6.29252 numMergedOcc 0
96 mol 48 unq 7 iso 0 dist 8.14245 6.36817 6.29252 4.17933 4.73799 5.553 numMergedOcc 0
97 mol 48 unq 7 iso 1 dist 8.14245 4.17933 4.73799 6.36817 6.29252 5.553 numMergedOcc 0
98 mol 48 unq 7 iso 2 dist 6.36817 8.14245 6.29252 4.17933 5.553 4.73799 numMergedOcc 0
99 mol 48 unq 7 iso 3 dist 6.36817 4.17933 5.553 8.14245 6.29252 4.73799 numMergedOcc 0
100 mol 48 unq 7 iso 4 dist 4.17933 8.14245 4.73799 6.36817 5.553 6.29252 numMergedOcc 0
101 mol 48 unq 7 iso 5 dist 4.17933 6.36817 5.553 8.14245 4.73799 6.29252 numMergedOcc 0
102 mol 48 unq 8 iso 0 dist 8.14245 6.36817 6.29252 5.54893 7.19576 8.14415 numMergedOcc 0
103 mol 48 unq 8 iso 1 dist 8.14245 5.54893 7.19576 6.36817 6.29252 8.14415 numMergedOcc 0
104 mol 48 unq 8 iso 2 dist 6.36817 8.14245 6.29252 5.54893 8.14415 7.19576 numMergedOcc 0
105 mol 48 unq 8 iso 3 dist 6.36817 5.54893 8.14415 8.14245 6.29252 7.19576 numMergedOcc 0
106 mol 48 unq 8 iso 4 dist 5.54893 8.14245 7.19576 6.36817 8.14415 6.29252 numMergedOcc 0
107 mol 48 unq 8 iso 5 dist 5.54893 6.36817 8.14415 8.14245 7.19576 6.29252 numMergedOcc 0
108 mol 48 unq 7 iso 0 dist 8.14245 8.0812 10.8994 4.17933 4.73799 6.96103 numMergedOcc 0
109 mol 48 unq 7 iso 1 dist 8.14245 4.17933 4.73799 8.0812 10.8994 6.96103 numMergedOcc 0
110 mol 48 unq 7 iso 2 dist 8.0812 8.14245 10.8994 4.17933 6.96103 4.73799 numMergedOcc 0
111 mol 48 unq 7 iso 3 dist 8.0812 4.17933 6.96103 8.14245 10.8994 4.73799 numMergedOcc 0
112 mol 48 unq 7 iso 4 dist 4.17933 8.14245 4.73799 8.0812 6.96103 10.8994 numMergedOcc 0
113 mol 48 unq 7 iso 5 dist 4.17933 8.0812 6.96103 8.14245 4.73799 10.8994 numMergedOcc 0
114 mol 48 unq 8 iso 0 dist 8.14245 8.0812 10.8994 5.54893 7.19576 4.54874 numMergedOcc 0
115 mol 48 unq 8 iso 1 dist 8.14245 5.54893 7.19576 8.0812 10.8994 4.54874 numMergedOcc 0
116 mol 48 unq 8 iso 2 dist 8.0812 8.14245 10.8994 5.54893 4.54874 7.19576 numMergedOcc 0
117 mol 48 unq 8 iso 3 dist 8.0812 5.54893 4.54874 8.14245 10.8994 7.19576 numMergedOcc 0
118 mol 48 unq 8 iso 4 dist 5.54893 8.14245 7.19576 8.0812 4.54874 10.8994 numMergedOcc 0
119 mol 48 unq 8 iso 5 dist 5.54893 8.0812 4.54874 8.14245 7.19576 10.8994 numMergedOcc 0
120 mol 48 unq 8 iso 0 dist 8.14245 4.17933 4.73799 5.54893 7.19576 3.18526 numMergedOcc 0
121 mol 48 unq 8 iso 1 dist 8.14245 5.54893 7.19576 4.17933 4.73799 3.18526 numMergedOcc 0
122 mol 48 unq 8 iso 2 dist 4.17933 8.14245 4.73799 5.54893 3.18526 7.19576 numMergedOcc 0
123 mol 48 unq 8 iso 3 dist 4.17933 5.54893 3.18526 8.14245 4.73799 7.19576 numMergedOcc 0
124 mol 48 unq 8 iso 4 dist 5.54893 8.14245 7.19576 4.17933 3.18526 4.73799 numMergedOcc 0
125 mol 48 unq 8 iso 5 dist 5.54893 4.17933 3.18526 8.14245 7.19576 4.73799 numMergedOcc 0
126 mol 48 unq 7 iso 0 dist 6.36817 8.0812 9.94041 4.17933 5.553 6.96103 numMergedOcc 0
127 mol 48 unq 7 iso 1 dist 6.36817 4.17933 5.553 8.0812 9.94041 6.96103 numMergedOcc 0
128 mol 48 unq 7 iso 2 dist 8.0812 6.36817 9.94041 4.17933 6.96103 5.553 numMergedOcc 0
129 mol 48 unq 7 iso 3 dist 8.0812 4.17933 6.96103 6.36817 9.94041 5.553 numMergedOcc 0
130 mol 48 unq 7 iso 4 dist 4.17933 6.36817 5.553 8.0812 6.96103 9.94041 numMergedOcc 0
131 mol 48 unq 7 iso 5 dist 4.17933 8.0812 6.96103 6.36817 5.553 9.94041 numMergedOcc 0
132 mol 48 unq 8 iso 0 dist 6.36817 8.0812 9.94041 5.54893 8.14415 4.54874 numMergedOcc 0
133 mol 48 unq 8 iso 1 dist 6.36817 5.54893 8.14415 8.0812 9.94041 4.54874 numMergedOcc 0
134 mol 48 unq 8 iso 2 dist 8.0812 6.36817 9.94041 5.54893 4.54874 8.14415 numMergedOcc 0
135 mol 48 unq 8 iso 3 dist 8.0812 5.54893 4.54874 6.36817 9.94041 8.14415 numMergedOcc 0
136 mol 48 unq 8 iso 4 dist 5.54893 6.36817 8.14415 8.0812 4.54874 9.94041 numMergedOcc 0
137 mol 48 unq 8 iso 5 dist 5.54893 8.0812 4.54874 6.36817 8.14415 9.94041 numMergedOcc 0
138 mol 48 unq 8 iso 0 dist 6.36817 4.17933 5.553 5.54893 8.14415 3.18526 numMergedOcc 0
139 mol 48 unq 8 iso 1 dist 6.36817 5.54893 8.14415 4.17933 5.553 3.18526 numMergedOcc 0
140 mol 48 unq 8 iso 2 dist 4.17933 6.36817 5.553 5.54893 3.18526 8.14415 numMergedOcc 0
141 mol 48 unq 8 iso 3 dist 4.17933 5.54893 3.18526 6.36817 5.553 8.14415 numMergedOcc 0
142 mol 48 unq 8 iso 4 dist 5.54893 6.36817 8.14415 4.17933 3.18526 5.553 numMergedOcc 0
143 mol 48 unq 8 iso 5 dist 5.54893 4.17933 3.18526 6.36817 8.14415 5.553 numMergedOcc 0
144 mol 48 unq 8 iso 0 dist 8.0812 4.17933 6.96103 5.54893 4.54874 3.18526 numMergedOcc 0
145 mol 48 unq 8 iso 1 dist 8.0812 5.54893 4.54874 4.17933 6.96103 3.18526 numMergedOcc 0
146 mol 48 unq 8 iso 2 dist 4.17933 8.0812 6.96103 5.54893 3.18526 4.54874 numMergedOcc 0
147 mol 48 unq 8 iso 3 dist 4.17933 5.54893 3.18526 8.0812 6.96103 4.54874 numMergedOcc 0
148 mol 48 unq 8 iso 4 dist 5.54893 8.0812 4.54874 4.17933 3.18526 6.96103 numMergedOcc 0
149 mol 48 unq 8 iso 5 dist 5.54893 4.17933 3.18526 8.0812 4.54874 6.96103 numMergedOcc 0
150 mol 76 unq 0 iso 0 dist 7.66068 9.5043 6.98219 8.34132 8.74837 4.82479 numMergedOcc 0
151 mol 76 unq 0 iso 1 dist 7.66068 8.34132 8.74837 9.5043 6.98219 4.82479 numMergedOcc 0
152 mol 76 unq 0 iso 2 dist 9.5043 7.66068 6.98219 8.34132 4.82479 8.74837 numMergedOcc 0
153 mol 76 unq 0 iso 3 dist 9.5043 8.34132 4.82479 7.66068 6.98219 8.74837 numMergedOcc 0
154 mol 76 unq 0 iso 4 dist 8.34132 7.66068 8.74837 9.5043 4.82479 6.98219 numMergedOcc 0
155 mol 76 unq 0 iso 5 dist 8.34132 9.5043 4.82479 7.66068 8.74837 6.98219 numMergedOcc 0
156 mol 85 unq 0 iso 0 dist 9.09711 7.91193 5.44737 7.07839 7.6242 3.24037 numMergedOcc 0
157 mol 85 unq 0 iso 1 dist 9.09711 7.07839 7.6242 7.91193 5.44737 3.24037 numMergedOcc 0
158 mol 85 unq 0 iso 2 dist 7.91193 9.09711 5.44737 7.07839 3.24037 7.6242 numMergedOcc 0
159 mol 85 unq 0 iso 3 dist 7.91193 7.07839 3.24037 9.09711 5.44737 7.6242 numMergedOcc 0
160 mol 85 unq 0 iso 4 dist 7.07839 7.91193 3.24037 9.09711 7.6242 5.44737 numMergedOcc 0
161 mol 85 unq 0 iso 5 dist 7.07839 9.09711 7.6242 7.91193 3.24037 5.44737 numMergedOcc 0
162 mol 85 unq 1 iso 0 dist 9.09711 7.91193 5.44737 7.04244 10.1757 11.3346 numMergedOcc 0
163 mol 85 unq 1 iso 1 dist 9.09711 7.04244 10.1757 7.91193 5.44737 11.3346 numMergedOcc 0
164 mol 85 unq 1 iso 2 dist 7.91193 9.09711 5.44737 7.04244 11.3346 10.1757 numMergedOcc 0
165 mol 85 unq 1 iso 3 dist 7.91193 7.04244 11.3346 9.09711 5.44737 10.1757 numMergedOcc 0
166 mol 85 unq 1 iso 4 dist 7.04244 7.91193 11.3346 9.09711 10.1757 5.44737 numMergedOcc 0
167 mol 85 unq 1 iso 5 dist 7.04244 9.09711 10.1757 7.91193 11.3346 5.44737 numMergedOcc 0
168 mol 85 unq 2 iso 0 dist 9.09711 7.91193 5.44737 9.63449 17.7038 14.2704 numMergedOcc 0
169 mol 85 unq 2 iso 1 dist 9.09711 9.63449 17.7038 7.91193 5.44737 14.2704 numMergedOcc 0
170 mol 85 unq 2 iso 2 dist 7.91193 9.09711 5.44737 9.63449 14.2704 17.7038 numMergedOcc 0
171 mol 85 unq 2 iso 3 dist 7.91193 9.63449 14.2704 9.09711 5.44737 17.7038 numMergedOcc 0
172 mol 85 unq 2 iso 4 dist 9.63449 7.91193 14.2704 9.09711 17.7038 5.44737 numMergedOcc 0
173 mol 85 unq 2 iso 5 dist 9.63449 9.09711 17.7038 7.91193 14.2704 5.44737 numMergedOcc 0
174 mol 85 unq 1 iso 0 dist 9.09711 7.07839 7.6242 7.04244 10.1757 10.1082 numMergedOcc 0
175 mol 85 unq 1 iso 1 dist 9.09711 7.04244 10.1757 7.07839 7.6242 10.1082 numMergedOcc 0
176 mol 85 unq 1 iso 2 dist 7.07839 9.09711 7.6242 7.04244 10.1082 10.1757 numMergedOcc 0
177 mol 85 unq 1 iso 3 dist 7.07839 7.04244 10.1082 9.09711 7.6242 10.1757 numMergedOcc 0
178 mol 85 unq 1 iso 4 dist 7.04244 7.07839 10.1082 9.09711 10.1757 7.6242 numMergedOcc 0
179 mol 85 unq 1 iso 5 dist 7.04244 9.09711 10.1757 7.07839 10.1082 7.6242 numMergedOcc 0
180 mol 85 unq 2 iso 0 dist 9.09711 7.07839 7.6242 9.63449 17.7038 12.8332 numMergedOcc 0
181 mol 85 unq 2 iso 1 dist 9.09711 9.63449 17.7038 7.07839 7.6242 12.8332 numMergedOcc 0
182 mol 85 unq 2 iso 2 dist 7.07839 9.09711 7.6242 9.63449 12.8332 17.7038 numMergedOcc 0
183 mol 85 unq 2 iso 3 dist 7.07839 9.63449 12.8332 9.09711 7.6242 17.7038 numMergedOcc 0
184 mol 85 unq 2 iso 4 dist 9.63449 7.07839 12.8332 9.09711 17.7038 7.6242 numMergedOcc 0
185 mol 85 unq 2 iso 5 dist 9.63449 9.09711 17.7038 7.07839 12.8332 7.6242 numMergedOcc 0
186 mol 85 unq 2 iso 0 dist 9.09711 7.04244 10.1757 9.63449 17.7038 15.509 numMergedOcc 0
187 mol 85 unq 2 iso 1 dist 9.09711 9.63449 17.7038 7.04244 10.1757 15.509 numMergedOcc 0
188 mol 85 unq 2 iso 2 dist 7.04244 9.09711 10.1757 9.63449 15.509 17.7038 numMergedOcc 0
189 mol 85 unq 2 iso 3 dist 7.04244 9.63449 15.509 9.09711 10.1757 17.7038 numMergedOcc 0
190 mol 85 unq 2 iso 4 dist 9.63449 7.04244 15.509 9.09711 17.7038 10.1757 numMergedOcc 0
191 mol 85 unq 2 iso 5 dist 9.63449 9.09711 17.7038 7.04244 15.509 10.1757 numMergedOcc 0
192 mol 85 unq 1 iso 0 dist 7.91193 7.07839 3.24037 7.04244 11.3346 10.1082 numMergedOcc 0
193 mol 85 unq 1 iso 1 dist 7.91193 7.04244 11.3346 7.07839 3.24037 10.1082 numMergedOcc 0
194 mol 85 unq 1 iso 2 dist 7.07839 7.91193 3.24037 7.04244 10.1082 11.3346 numMergedOcc 0
195 mol 85 unq 1 iso 3 dist 7.07839 7.04244 10.1082 7.91193 3.24037 11.3346 numMergedOcc 0
196 mol 85 unq 1 iso 4 dist 7.04244 7.91193 11.3346 7.07839 10.1082 3.24037 numMergedOcc 0
197 mol 85 unq 1 iso 5 dist 7.04244 7.07839 10.1082 7.91193 11.3346 3.24037 numMergedOcc 0
198 mol 85 unq 2 iso 0 dist 7.91193 7.07839 3.24037 9.63449 14.2704 12.8332 numMergedOcc 0
199 mol 85 unq 2 iso 1 dist 7.91193 9.63449 14.2704 7.07839 3.24037 12.8332 numMergedOcc 0
200 mol 85 unq 2 iso 2 dist 7.07839 7.91193 3.24037 9.63449 12.8332 14.2704 numMergedOcc 0
201 mol 85 unq 2 iso 3 dist 7.07839 9.63449 12.8332 7.91193 3.24037 14.2704 numMergedOcc 0
202 mol 85 unq 2 iso 4 dist 9.63449 7.91193 14.2704 7.07839 12.8332 3.24037 numMergedOcc 0
203 mol 85 unq 2 iso 5 dist 9.63449 7.07839 12.8332 7.91193 14.2704 3.24037 numMergedOcc 0
204 mol 85 unq 2 iso 0 dist 7.91193 7.04244 11.3346 9.63449 14.2704 15.509 numMergedOcc 0
205 mol 85 unq 2 iso 1 dist 7.91193 9.63449 14.2704 7.04244 11.3346 15.509 numMergedOcc 0
206 mol 85 unq 2 iso 2 dist 7.04244 7.91193 11.3346 9.63449 15.509 14.2704 numMergedOcc 0
207 mol 85 unq 2 iso 3 dist 7.04244 9.63449 15.509 7.91193 11.3346 14.2704 numMergedOcc 0
208 mol 85 unq 2 iso 4 dist 9.63449 7.91193 14.2704 7.04244 15.509 11.3346 numMergedOcc 0
209 mol 85 unq 2 iso 5 dist 9.63449 7.04244 15.509 7.91193 14.2704 11.3346 numMergedOcc 0
210 mol 85 unq 2 iso 0 dist 7.07839 7.04244 10.1082 9.63449 12.8332 15.509 numMergedOcc 0
211 mol 85 unq 2 iso 1 dist 7.07839 9.63449 12.8332 7.04244 10.1082 15.509 numMergedOcc 0
212 mol 85 unq 2 iso 2 dist 7.04244 7.07839 10.1082 9.63449 15.509 12.8332 numMergedOcc 0
213 mol 85 unq 2 iso 3 dist 7.04244 9.63449 15.509 7.07839 10.1082 12.8332 numMergedOcc 0
214 mol 85 unq 2 iso 4 dist 9.63449 7.07839 12.8332 7.04244 15.509 10.1082 numMergedOcc 0
215 mol 85 unq 2 iso 5 dist 9.63449 7.04244 15.509 7.07839 12.8332 10.1082 numMergedOcc 0
216 mol 113 unq 0 iso 0 dist 5.31126 4.49669 5.7147 6.00221 8.09465 3.74304 numMergedOcc 0
217 mol 113 unq 0 iso 1 dist 5.31126 6.00221 8.09465 4.49669 5.7147 3.74304 numMergedOcc 0
218 mol 113 unq 0 iso 2 dist 4.49669 5.31126 5.7147 6.00221 3.74304 8.09465 numMergedOcc 0
219 mol 113 unq 0 iso 3 dist 4.49669 6.00221 3.74304 5.31126 5.7147 8.09465 numMergedOcc 0
220 mol 113 unq 0 iso 4 dist 6.00221 5.31126 8.09465 4.49669 3.74304 5.7147 numMergedOcc 0
221 mol 113 unq 0 iso 5 dist 6.00221 4.49669 3.74304 5.31126 8.09465 5.7147 numMergedOcc 0
222 mol 123 unq 0 iso 0 dist 5.56127 8.03692 10.2185 5.36214 8.29136 13.0033 numMergedOcc 0
223 mol 123 unq 0 iso 1 dist 5.56127 5.36214 8.29136 8.03692 10.2185 13.0033 numMergedOcc 0
224 mol 123 unq 0 iso 2 dist 8.03692 5.56127 10.2185 5.36214 13.0033 8.29136 numMergedOcc 0
225 mol 123 unq 0 iso 3 dist 8.03692 5.36214 13.0033 5.56127 10.2185 8.29136 numMergedOcc 0
226 mol 123 unq 0 iso 4 dist 5.36214 5.56127 8.29136 8.03692 13.0033 10.2185 numMergedOcc 0
227 mol 123 unq 0 iso 5 dist 5.36214 8.03692 13.0033 5.56127 8.29136 10.2185 numMergedOcc 0
228 mol 169 unq 0 iso 0 dist 5.10589 4.63336 5.23644 6.10715 7.52063 3.74306 numMergedOcc 0
229 mol 169 unq 0 iso 1 dist 5.10589 6.10715 7.52063 4.63336 5.23644 3.74306 numMergedOcc 0
230 mol 169 unq 0 iso 2 dist 4.63336 5.10589 5.23644 6.10715 3.74306 7.52063 numMergedOcc 0
231 mol 169 unq 0 iso 3 dist 4.63336 6.10715 3.74306 5.10589 5.23644 7.52063 numMergedOcc 0
232 mol 169 unq 0 iso 4 dist 6.10715 5.10589 7.52063 4.63336 3.74306 5.23644 numMergedOcc 0
233 mol 169 unq 0 iso 5 dist 6.10715 4.63336 3.74306 5.10589 7.52063 5.23644 numMergedOcc 0
234 mol 266 unq 0 iso 0 dist 6.96692 8.25286 5.76129 9.9965 8.75066 3.00605 numMergedOcc 0
235 mol 266 unq 0 iso 1 dist 6.96692 9.9965 8.75066 8.25286 5.76129 3.00605 numMergedOcc 0
236 mol 266 unq 0 iso 2 dist 8.25286 6.96692 5.76129 9.9965 3.00605 8.75066 numMergedOcc 0
237 mol 266 unq 0 iso 3 dist 8.25286 9.9965 3.00605 6.96692 5.76129 8.75066 numMergedOcc 0
238 mol 266 unq 0 iso 4 dist 9.9965 6.96692 8.75066 8.25286 3.00605 5.76129 numMergedOcc 0
239 mol 266 unq 0 iso 5 dist 9.9965 8.25286 3.00605 6.96692 8.75066 5.76129 numMergedOcc 0
240 mol 277 unq 0 iso 0 dist 7.98956 5.86185 3.41319 6.79748 13.9697 12.1514 numMergedOcc 0
241 mol 277 unq 0 iso 1 dist 7.98956 6.79748 13.9697 5.86185 3.41319 12.1514 numMergedOcc 0
242 mol 277 unq 0 iso 2 dist 5.86185 7.98956 3.41319 6.79748 12.1514 13.9697 numMergedOcc 0
243 mol 277 unq 0 iso 3 dist 5.86185 6.79748 12.1514 7.98956 3.41319 13.9697 numMergedOcc 0
244 mol 277 unq 0 iso 4 dist 6.79748 7.98956 13.9697 5.86185 12.1514 3.41319 numMergedOcc 0
245 mol 277 unq 0 iso 5 dist 6.79748 5.86185 12.1514 7.98956 13.9697 3.41319 numMergedOcc 0
