| 12
 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
 
 | 
     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
 |