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1 mol 8 unq 0 iso 1 dist 6.56356 8.09332 7.62333 10.9495 9.01112 6.23795 numMergedOcc 0
2 mol 8 unq 0 iso 2 dist 9.01112 10.9495 6.56356 6.23795 7.62333 8.09332 numMergedOcc 0
3 mol 8 unq 0 iso 3 dist 9.01112 6.23795 7.62333 10.9495 6.56356 8.09332 numMergedOcc 0
4 mol 8 unq 0 iso 4 dist 7.62333 8.09332 6.56356 6.23795 9.01112 10.9495 numMergedOcc 0
5 mol 8 unq 0 iso 5 dist 7.62333 6.23795 9.01112 8.09332 6.56356 10.9495 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 8.66539 5.79773 5.38524 10.8779 8.69057 5.47421 numMergedOcc 0
7 mol 58 unq 0 iso 1 dist 8.66539 10.8779 8.69057 5.79773 5.38524 5.47421 numMergedOcc 0
8 mol 58 unq 0 iso 2 dist 5.38524 5.79773 8.66539 5.47421 8.69057 10.8779 numMergedOcc 0
9 mol 58 unq 0 iso 3 dist 5.38524 5.47421 8.69057 5.79773 8.66539 10.8779 numMergedOcc 0
10 mol 58 unq 0 iso 4 dist 8.69057 10.8779 8.66539 5.47421 5.38524 5.79773 numMergedOcc 0
11 mol 58 unq 0 iso 5 dist 8.69057 5.47421 5.38524 10.8779 8.66539 5.79773 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 9.97769 5.23069 9.32706 7.5247 9.08221 10.0658 numMergedOcc 0
13 mol 58 unq 1 iso 1 dist 9.97769 7.5247 9.08221 5.23069 9.32706 10.0658 numMergedOcc 0
14 mol 58 unq 1 iso 2 dist 9.32706 5.23069 9.97769 10.0658 9.08221 7.5247 numMergedOcc 0
15 mol 58 unq 1 iso 3 dist 9.32706 10.0658 9.08221 5.23069 9.97769 7.5247 numMergedOcc 0
16 mol 58 unq 1 iso 4 dist 9.08221 7.5247 9.97769 10.0658 9.32706 5.23069 numMergedOcc 0
17 mol 58 unq 1 iso 5 dist 9.08221 10.0658 9.32706 7.5247 9.97769 5.23069 numMergedOcc 0
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19 mol 60 unq 0 iso 1 dist 7.57295 6.54743 7.48086 5.67502 8.4312 5.00018 numMergedOcc 0
20 mol 60 unq 0 iso 2 dist 8.4312 5.67502 7.57295 5.00018 7.48086 6.54743 numMergedOcc 0
21 mol 60 unq 0 iso 3 dist 8.4312 5.00018 7.48086 5.67502 7.57295 6.54743 numMergedOcc 0
22 mol 60 unq 0 iso 4 dist 7.48086 6.54743 7.57295 5.00018 8.4312 5.67502 numMergedOcc 0
23 mol 60 unq 0 iso 5 dist 7.48086 5.00018 8.4312 6.54743 7.57295 5.67502 numMergedOcc 0
24 mol 72 unq 0 iso 0 dist 9.74228 5.36766 7.12321 7.04035 6.21799 8.24309 numMergedOcc 0
25 mol 72 unq 0 iso 1 dist 9.74228 7.04035 6.21799 5.36766 7.12321 8.24309 numMergedOcc 0
26 mol 72 unq 0 iso 2 dist 7.12321 5.36766 9.74228 8.24309 6.21799 7.04035 numMergedOcc 0
27 mol 72 unq 0 iso 3 dist 7.12321 8.24309 6.21799 5.36766 9.74228 7.04035 numMergedOcc 0
28 mol 72 unq 0 iso 4 dist 6.21799 7.04035 9.74228 8.24309 7.12321 5.36766 numMergedOcc 0
29 mol 72 unq 0 iso 5 dist 6.21799 8.24309 7.12321 7.04035 9.74228 5.36766 numMergedOcc 0
30 mol 89 unq 0 iso 0 dist 8.40422 5.52198 8.40425 9.1532 7.47974 4.8812 numMergedOcc 0
31 mol 89 unq 0 iso 1 dist 8.40422 9.1532 7.47974 5.52198 8.40425 4.8812 numMergedOcc 0
32 mol 89 unq 0 iso 2 dist 8.40425 5.52198 8.40422 4.8812 7.47974 9.1532 numMergedOcc 0
33 mol 89 unq 0 iso 3 dist 8.40425 4.8812 7.47974 5.52198 8.40422 9.1532 numMergedOcc 0
34 mol 89 unq 0 iso 4 dist 7.47974 9.1532 8.40422 4.8812 8.40425 5.52198 numMergedOcc 0
35 mol 89 unq 0 iso 5 dist 7.47974 4.8812 8.40425 9.1532 8.40422 5.52198 numMergedOcc 0
36 mol 89 unq 1 iso 0 dist 8.40422 5.52198 8.40425 6.50464 5.51831 8.46794 numMergedOcc 0
37 mol 89 unq 1 iso 1 dist 8.40422 6.50464 5.51831 5.52198 8.40425 8.46794 numMergedOcc 0
38 mol 89 unq 1 iso 2 dist 8.40425 5.52198 8.40422 8.46794 5.51831 6.50464 numMergedOcc 0
39 mol 89 unq 1 iso 3 dist 8.40425 8.46794 5.51831 5.52198 8.40422 6.50464 numMergedOcc 0
40 mol 89 unq 1 iso 4 dist 5.51831 6.50464 8.40422 8.46794 8.40425 5.52198 numMergedOcc 0
41 mol 89 unq 1 iso 5 dist 5.51831 8.46794 8.40425 6.50464 8.40422 5.52198 numMergedOcc 0
42 mol 89 unq 2 iso 0 dist 8.40422 5.52198 8.40425 6.54355 9.65149 7.1456 numMergedOcc 0
43 mol 89 unq 2 iso 1 dist 8.40422 6.54355 9.65149 5.52198 8.40425 7.1456 numMergedOcc 0
44 mol 89 unq 2 iso 2 dist 8.40425 5.52198 8.40422 7.1456 9.65149 6.54355 numMergedOcc 0
45 mol 89 unq 2 iso 3 dist 8.40425 7.1456 9.65149 5.52198 8.40422 6.54355 numMergedOcc 0
46 mol 89 unq 2 iso 4 dist 9.65149 6.54355 8.40422 7.1456 8.40425 5.52198 numMergedOcc 0
47 mol 89 unq 2 iso 5 dist 9.65149 7.1456 8.40425 6.54355 8.40422 5.52198 numMergedOcc 0
48 mol 89 unq 1 iso 0 dist 8.40422 9.1532 7.47974 6.50464 5.51831 10.4087 numMergedOcc 0
49 mol 89 unq 1 iso 1 dist 8.40422 6.50464 5.51831 9.1532 7.47974 10.4087 numMergedOcc 0
50 mol 89 unq 1 iso 2 dist 7.47974 9.1532 8.40422 10.4087 5.51831 6.50464 numMergedOcc 0
51 mol 89 unq 1 iso 3 dist 7.47974 10.4087 5.51831 9.1532 8.40422 6.50464 numMergedOcc 0
52 mol 89 unq 1 iso 4 dist 5.51831 6.50464 8.40422 10.4087 7.47974 9.1532 numMergedOcc 0
53 mol 89 unq 1 iso 5 dist 5.51831 10.4087 7.47974 6.50464 8.40422 9.1532 numMergedOcc 0
54 mol 89 unq 2 iso 0 dist 8.40422 9.1532 7.47974 6.54355 9.65149 10.8948 numMergedOcc 0
55 mol 89 unq 2 iso 1 dist 8.40422 6.54355 9.65149 9.1532 7.47974 10.8948 numMergedOcc 0
56 mol 89 unq 2 iso 2 dist 7.47974 9.1532 8.40422 10.8948 9.65149 6.54355 numMergedOcc 0
57 mol 89 unq 2 iso 3 dist 7.47974 10.8948 9.65149 9.1532 8.40422 6.54355 numMergedOcc 0
58 mol 89 unq 2 iso 4 dist 9.65149 6.54355 8.40422 10.8948 7.47974 9.1532 numMergedOcc 0
59 mol 89 unq 2 iso 5 dist 9.65149 10.8948 7.47974 6.54355 8.40422 9.1532 numMergedOcc 0
60 mol 89 unq 2 iso 0 dist 8.40422 6.50464 5.51831 6.54355 9.65149 5.45013 numMergedOcc 0
61 mol 89 unq 2 iso 1 dist 8.40422 6.54355 9.65149 6.50464 5.51831 5.45013 numMergedOcc 0
62 mol 89 unq 2 iso 2 dist 5.51831 6.50464 8.40422 5.45013 9.65149 6.54355 numMergedOcc 0
63 mol 89 unq 2 iso 3 dist 5.51831 5.45013 9.65149 6.50464 8.40422 6.54355 numMergedOcc 0
64 mol 89 unq 2 iso 4 dist 9.65149 6.54355 8.40422 5.45013 5.51831 6.50464 numMergedOcc 0
65 mol 89 unq 2 iso 5 dist 9.65149 5.45013 5.51831 6.54355 8.40422 6.50464 numMergedOcc 0
66 mol 89 unq 1 iso 0 dist 8.40425 4.8812 7.47974 8.46794 5.51831 10.4087 numMergedOcc 0
67 mol 89 unq 1 iso 1 dist 8.40425 8.46794 5.51831 4.8812 7.47974 10.4087 numMergedOcc 0
68 mol 89 unq 1 iso 2 dist 7.47974 4.8812 8.40425 10.4087 5.51831 8.46794 numMergedOcc 0
69 mol 89 unq 1 iso 3 dist 7.47974 10.4087 5.51831 4.8812 8.40425 8.46794 numMergedOcc 0
70 mol 89 unq 1 iso 4 dist 5.51831 8.46794 8.40425 10.4087 7.47974 4.8812 numMergedOcc 0
71 mol 89 unq 1 iso 5 dist 5.51831 10.4087 7.47974 8.46794 8.40425 4.8812 numMergedOcc 0
72 mol 89 unq 2 iso 0 dist 8.40425 4.8812 7.47974 7.1456 9.65149 10.8948 numMergedOcc 0
73 mol 89 unq 2 iso 1 dist 8.40425 7.1456 9.65149 4.8812 7.47974 10.8948 numMergedOcc 0
74 mol 89 unq 2 iso 2 dist 7.47974 4.8812 8.40425 10.8948 9.65149 7.1456 numMergedOcc 0
75 mol 89 unq 2 iso 3 dist 7.47974 10.8948 9.65149 4.8812 8.40425 7.1456 numMergedOcc 0
76 mol 89 unq 2 iso 4 dist 9.65149 7.1456 8.40425 10.8948 7.47974 4.8812 numMergedOcc 0
77 mol 89 unq 2 iso 5 dist 9.65149 10.8948 7.47974 7.1456 8.40425 4.8812 numMergedOcc 0
78 mol 89 unq 2 iso 0 dist 8.40425 8.46794 5.51831 7.1456 9.65149 5.45013 numMergedOcc 0
79 mol 89 unq 2 iso 1 dist 8.40425 7.1456 9.65149 8.46794 5.51831 5.45013 numMergedOcc 0
80 mol 89 unq 2 iso 2 dist 5.51831 8.46794 8.40425 5.45013 9.65149 7.1456 numMergedOcc 0
81 mol 89 unq 2 iso 3 dist 5.51831 5.45013 9.65149 8.46794 8.40425 7.1456 numMergedOcc 0
82 mol 89 unq 2 iso 4 dist 9.65149 7.1456 8.40425 5.45013 5.51831 8.46794 numMergedOcc 0
83 mol 89 unq 2 iso 5 dist 9.65149 5.45013 5.51831 7.1456 8.40425 8.46794 numMergedOcc 0
84 mol 89 unq 2 iso 0 dist 7.47974 10.4087 5.51831 10.8948 9.65149 5.45013 numMergedOcc 0
85 mol 89 unq 2 iso 1 dist 7.47974 10.8948 9.65149 10.4087 5.51831 5.45013 numMergedOcc 0
86 mol 89 unq 2 iso 2 dist 5.51831 10.4087 7.47974 5.45013 9.65149 10.8948 numMergedOcc 0
87 mol 89 unq 2 iso 3 dist 5.51831 5.45013 9.65149 10.4087 7.47974 10.8948 numMergedOcc 0
88 mol 89 unq 2 iso 4 dist 9.65149 10.8948 7.47974 5.45013 5.51831 10.4087 numMergedOcc 0
89 mol 89 unq 2 iso 5 dist 9.65149 5.45013 5.51831 10.8948 7.47974 10.4087 numMergedOcc 0
90 mol 98 unq 0 iso 0 dist 5.10496 9.51923 5.92242 8.40073 5.2571 9.42358 numMergedOcc 0
91 mol 98 unq 0 iso 1 dist 5.10496 8.40073 5.2571 9.51923 5.92242 9.42358 numMergedOcc 0
92 mol 98 unq 0 iso 2 dist 5.92242 9.51923 5.10496 9.42358 5.2571 8.40073 numMergedOcc 0
93 mol 98 unq 0 iso 3 dist 5.92242 9.42358 5.2571 9.51923 5.10496 8.40073 numMergedOcc 0
94 mol 98 unq 0 iso 4 dist 5.2571 8.40073 5.10496 9.42358 5.92242 9.51923 numMergedOcc 0
95 mol 98 unq 0 iso 5 dist 5.2571 9.42358 5.92242 8.40073 5.10496 9.51923 numMergedOcc 0
96 mol 98 unq 1 iso 0 dist 5.10496 9.51923 5.92242 10.2427 8.7497 13.9786 numMergedOcc 0
97 mol 98 unq 1 iso 1 dist 5.10496 10.2427 8.7497 9.51923 5.92242 13.9786 numMergedOcc 0
98 mol 98 unq 1 iso 2 dist 5.92242 9.51923 5.10496 13.9786 8.7497 10.2427 numMergedOcc 0
99 mol 98 unq 1 iso 3 dist 5.92242 13.9786 8.7497 9.51923 5.10496 10.2427 numMergedOcc 0
100 mol 98 unq 1 iso 4 dist 8.7497 10.2427 5.10496 13.9786 5.92242 9.51923 numMergedOcc 0
101 mol 98 unq 1 iso 5 dist 8.7497 13.9786 5.92242 10.2427 5.10496 9.51923 numMergedOcc 0
102 mol 98 unq 1 iso 0 dist 5.10496 8.40073 5.2571 10.2427 8.7497 5.02887 numMergedOcc 0
103 mol 98 unq 1 iso 1 dist 5.10496 10.2427 8.7497 8.40073 5.2571 5.02887 numMergedOcc 0
104 mol 98 unq 1 iso 2 dist 5.2571 8.40073 5.10496 5.02887 8.7497 10.2427 numMergedOcc 0
105 mol 98 unq 1 iso 3 dist 5.2571 5.02887 8.7497 8.40073 5.10496 10.2427 numMergedOcc 0
106 mol 98 unq 1 iso 4 dist 8.7497 10.2427 5.10496 5.02887 5.2571 8.40073 numMergedOcc 0
107 mol 98 unq 1 iso 5 dist 8.7497 5.02887 5.2571 10.2427 5.10496 8.40073 numMergedOcc 0
108 mol 98 unq 2 iso 0 dist 9.64383 13.659 7.54889 14.591 7.78931 5.02887 numMergedOcc 0
109 mol 98 unq 2 iso 1 dist 9.64383 14.591 7.78931 13.659 7.54889 5.02887 numMergedOcc 0
110 mol 98 unq 2 iso 2 dist 7.54889 13.659 9.64383 5.02887 7.78931 14.591 numMergedOcc 0
111 mol 98 unq 2 iso 3 dist 7.54889 5.02887 7.78931 13.659 9.64383 14.591 numMergedOcc 0
112 mol 98 unq 2 iso 4 dist 7.78931 14.591 9.64383 5.02887 7.54889 13.659 numMergedOcc 0
113 mol 98 unq 2 iso 5 dist 7.78931 5.02887 7.54889 14.591 9.64383 13.659 numMergedOcc 0
114 mol 98 unq 1 iso 0 dist 5.92242 9.42358 5.2571 13.9786 8.7497 5.02887 numMergedOcc 0
115 mol 98 unq 1 iso 1 dist 5.92242 13.9786 8.7497 9.42358 5.2571 5.02887 numMergedOcc 0
116 mol 98 unq 1 iso 2 dist 5.2571 9.42358 5.92242 5.02887 8.7497 13.9786 numMergedOcc 0
117 mol 98 unq 1 iso 3 dist 5.2571 5.02887 8.7497 9.42358 5.92242 13.9786 numMergedOcc 0
118 mol 98 unq 1 iso 4 dist 8.7497 13.9786 5.92242 5.02887 5.2571 9.42358 numMergedOcc 0
119 mol 98 unq 1 iso 5 dist 8.7497 5.02887 5.2571 13.9786 5.92242 9.42358 numMergedOcc 0
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121 mol 112 unq 0 iso 1 dist 7.7988 6.34999 4.22363 4.97527 9.40824 6.72751 numMergedOcc 0
122 mol 112 unq 0 iso 2 dist 9.40824 4.97527 7.7988 6.72751 4.22363 6.34999 numMergedOcc 0
123 mol 112 unq 0 iso 3 dist 9.40824 6.72751 4.22363 4.97527 7.7988 6.34999 numMergedOcc 0
124 mol 112 unq 0 iso 4 dist 4.22363 6.34999 7.7988 6.72751 9.40824 4.97527 numMergedOcc 0
125 mol 112 unq 0 iso 5 dist 4.22363 6.72751 9.40824 6.34999 7.7988 4.97527 numMergedOcc 0
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127 mol 119 unq 0 iso 1 dist 8.95212 9.93257 7.64052 10.9871 6.99446 4.85907 numMergedOcc 0
128 mol 119 unq 0 iso 2 dist 6.99446 10.9871 8.95212 4.85907 7.64052 9.93257 numMergedOcc 0
129 mol 119 unq 0 iso 3 dist 6.99446 4.85907 7.64052 10.9871 8.95212 9.93257 numMergedOcc 0
130 mol 119 unq 0 iso 4 dist 7.64052 9.93257 8.95212 4.85907 6.99446 10.9871 numMergedOcc 0
131 mol 119 unq 0 iso 5 dist 7.64052 4.85907 6.99446 9.93257 8.95212 10.9871 numMergedOcc 0
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133 mol 134 unq 0 iso 1 dist 6.42772 13.7309 8.70621 11.6064 9.1998 7.09823 numMergedOcc 0
134 mol 134 unq 0 iso 2 dist 9.1998 11.6064 6.42772 7.09823 8.70621 13.7309 numMergedOcc 0
135 mol 134 unq 0 iso 3 dist 9.1998 7.09823 8.70621 11.6064 6.42772 13.7309 numMergedOcc 0
136 mol 134 unq 0 iso 4 dist 8.70621 13.7309 6.42772 7.09823 9.1998 11.6064 numMergedOcc 0
137 mol 134 unq 0 iso 5 dist 8.70621 7.09823 9.1998 13.7309 6.42772 11.6064 numMergedOcc 0
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139 mol 134 unq 1 iso 1 dist 9.66543 10.7144 7.93372 5.62899 7.21868 5.49782 numMergedOcc 0
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141 mol 134 unq 1 iso 3 dist 7.21868 5.49782 7.93372 5.62899 9.66543 10.7144 numMergedOcc 0
142 mol 134 unq 1 iso 4 dist 7.93372 10.7144 9.66543 5.49782 7.21868 5.62899 numMergedOcc 0
143 mol 134 unq 1 iso 5 dist 7.93372 5.49782 7.21868 10.7144 9.66543 5.62899 numMergedOcc 0
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145 mol 167 unq 0 iso 1 dist 7.68266 4.70068 9.2289 6.44246 7.6616 10.3445 numMergedOcc 0
146 mol 167 unq 0 iso 2 dist 7.6616 6.44246 7.68266 10.3445 9.2289 4.70068 numMergedOcc 0
147 mol 167 unq 0 iso 3 dist 7.6616 10.3445 9.2289 6.44246 7.68266 4.70068 numMergedOcc 0
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167 mol 224 unq 0 iso 5 dist 6.8692 8.49799 8.79428 11.328 6.99769 6.77699 numMergedOcc 0
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169 mol 229 unq 0 iso 1 dist 7.27993 7.0298 6.95201 5.1556 9.51168 6.54885 numMergedOcc 0
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175 mol 239 unq 0 iso 1 dist 6.73665 7.97994 9.35949 11.347 9.34438 11.2636 numMergedOcc 0
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181 mol 264 unq 0 iso 1 dist 5.90924 8.96144 9.58916 7.07277 5.90058 14.3597 numMergedOcc 0
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183 mol 264 unq 0 iso 3 dist 5.90058 14.3597 9.58916 7.07277 5.90924 8.96144 numMergedOcc 0
184 mol 264 unq 0 iso 4 dist 9.58916 8.96144 5.90924 14.3597 5.90058 7.07277 numMergedOcc 0
185 mol 264 unq 0 iso 5 dist 9.58916 14.3597 5.90058 8.96144 5.90924 7.07277 numMergedOcc 0
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187 mol 277 unq 0 iso 1 dist 9.57499 11.8268 8.9682 7.69449 5.46926 7.08227 numMergedOcc 0
188 mol 277 unq 0 iso 2 dist 5.46926 7.69449 9.57499 7.08227 8.9682 11.8268 numMergedOcc 0
189 mol 277 unq 0 iso 3 dist 5.46926 7.08227 8.9682 7.69449 9.57499 11.8268 numMergedOcc 0
190 mol 277 unq 0 iso 4 dist 8.9682 11.8268 9.57499 7.08227 5.46926 7.69449 numMergedOcc 0
191 mol 277 unq 0 iso 5 dist 8.9682 7.08227 5.46926 11.8268 9.57499 7.69449 numMergedOcc 0
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193 mol 292 unq 0 iso 1 dist 9.9182 12.1693 9.10788 10.3106 7.30758 12.6861 numMergedOcc 0
194 mol 292 unq 0 iso 2 dist 7.30758 10.3106 9.9182 12.6861 9.10788 12.1693 numMergedOcc 0
195 mol 292 unq 0 iso 3 dist 7.30758 12.6861 9.10788 10.3106 9.9182 12.1693 numMergedOcc 0
196 mol 292 unq 0 iso 4 dist 9.10788 12.1693 9.9182 12.6861 7.30758 10.3106 numMergedOcc 0
197 mol 292 unq 0 iso 5 dist 9.10788 12.6861 7.30758 12.1693 9.9182 10.3106 numMergedOcc 0
