1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
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RDKit 2D
8 7 0 0 0 0 0 0 0 0999 V2000
2.7538 0.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4606 0.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4723 -1.3948 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
0.1558 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1374 0.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4305 -0.6752 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.8975 1.3780 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-0.3772 -1.2083 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 6
2 3 1 0
2 4 1 0
4 5 1 0
5 6 1 0
5 7 1 0
5 8 1 0
M END
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