1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44
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RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 16 16 0 0 1
M V30 BEGIN ATOM
M V30 1 C -8.677400 -0.171600 0.000000 0
M V30 2 C -8.677400 -1.711600 0.000000 0
M V30 3 C -7.343700 -2.481600 0.000000 0
M V30 4 C -6.010000 -1.711600 0.000000 0
M V30 5 C -7.343700 0.598400 0.000000 0
M V30 6 C -3.342700 -1.711600 0.000000 0
M V30 7 C -3.342700 -0.171600 0.000000 0
M V30 8 C -4.676400 0.598400 0.000000 0
M V30 9 N -6.010000 -0.171600 0.000000 0
M V30 10 O -7.343700 2.138400 0.000000 0
M V30 11 C -4.676400 2.138400 0.000000 0
M V30 12 Br -3.342700 2.908400 0.000000 0
M V30 13 Cl -6.010000 2.908400 0.000000 0
M V30 14 C -2.009000 0.598400 0.000000 0
M V30 15 O -4.676300 -2.481600 0.000000 0
M V30 16 C -2.373500 -2.908400 0.000000 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 2
M V30 2 1 2 3
M V30 3 1 3 4
M V30 4 1 9 4 CFG=1
M V30 5 1 9 5
M V30 6 1 5 1
M V30 7 1 6 7
M V30 8 2 7 8
M V30 9 1 8 9
M V30 10 2 5 10
M V30 11 1 8 11
M V30 12 1 11 13
M V30 13 1 7 14
M V30 14 2 4 15
M V30 15 1 16 6
M V30 16 1 11 12
M V30 END BOND
M V30 END CTAB
M END
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