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
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RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 10 9 0 0 1
M V30 BEGIN ATOM
M V30 1 C -5.005100 -1.652700 0.000000 0
M V30 2 C -4.251400 -1.317100 0.000000 0
M V30 3 N -4.251400 -0.492100 0.000000 0
M V30 4 C -3.537000 -1.729600 0.000000 0
M V30 5 C -2.712000 -1.729600 0.000000 0
M V30 6 C -1.825100 -2.543500 0.000000 0
M V30 7 Br -2.004300 -3.348800 0.000000 0
M V30 8 C -1.038100 -2.296100 0.000000 0
M V30 9 Cl -1.217300 -3.101400 0.000000 0
M V30 10 Cl -4.294600 -2.141000 0.000000 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 2
M V30 2 1 2 4
M V30 3 2 4 5 CFG=2
M V30 4 1 6 5 CFG=1
M V30 5 1 2 3
M V30 6 1 6 8
M V30 7 1 6 9
M V30 8 1 6 7
M V30 9 1 2 10
M V30 END BOND
M V30 END CTAB
M END
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