File: Mrtx1719_atropBad1.sdf.expected.sdf

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     RDKit          2D

  0  0  0  0  0  0  0  0  0  0999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 33 37 0 0 1
M  V30 BEGIN ATOM
M  V30 1 Cl 0.252300 -2.169200 0.000000 0
M  V30 2 F 0.258700 -0.519000 0.000000 0
M  V30 3 O -2.605700 -2.158200 0.000000 0
M  V30 4 O 3.312200 0.461900 0.000000 0
M  V30 5 N -1.832700 0.798700 0.000000 0
M  V30 6 N -1.574700 1.582600 0.000000 0
M  V30 7 N 3.015200 1.859900 0.000000 0
M  V30 8 N 2.463000 2.473000 0.000000 0
M  V30 9 N 1.358900 3.699400 0.000000 0
M  V30 10 N -3.312200 -0.093000 0.000000 0
M  V30 11 C -2.608800 -2.983400 0.000000 0
M  V30 12 C -3.024100 -3.696400 0.000000 0
M  V30 13 C -2.199000 -3.699400 0.000000 0
M  V30 14 C -1.889600 -1.748300 0.000000 0
M  V30 15 C -1.886300 -0.923400 0.000000 0
M  V30 16 C -1.170300 -0.513500 0.000000 0
M  V30 17 C -1.167000 0.311100 0.000000 0
M  V30 18 C -1.176600 -2.163800 0.000000 0
M  V30 19 C -0.497700 0.793600 0.000000 0
M  V30 20 C 0.285800 0.535600 0.000000 0
M  V30 21 C -0.457400 -0.929000 0.000000 0
M  V30 22 C -0.460500 -1.753900 0.000000 0
M  V30 23 C 1.401000 1.516700 0.000000 0
M  V30 24 C 0.557700 1.351100 0.000000 0
M  V30 25 C -0.749500 1.579400 0.000000 0
M  V30 26 C 1.953200 0.903500 0.000000 0
M  V30 27 C 0.860800 -0.102800 0.000000 0
M  V30 28 C 1.700200 0.082100 0.000000 0
M  V30 29 C 1.656000 2.301500 0.000000 0
M  V30 30 C -2.599300 -0.508000 0.000000 0
M  V30 31 C -2.618300 0.546800 0.000000 0
M  V30 32 C 2.760200 1.075100 0.000000 0
M  V30 33 C 1.103900 2.914600 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 22
M  V30 2 1 2 21
M  V30 3 1 3 11
M  V30 4 1 3 14
M  V30 5 2 4 32
M  V30 6 1 5 6
M  V30 7 1 17 5 CFG=1
M  V30 8 1 5 31
M  V30 9 2 6 25
M  V30 10 1 7 8
M  V30 11 1 7 32
M  V30 12 2 8 29
M  V30 13 1 9 33
M  V30 14 3 10 30
M  V30 15 1 11 12
M  V30 16 1 11 13
M  V30 17 1 12 13
M  V30 18 2 14 15
M  V30 19 1 14 18
M  V30 20 1 16 15 CFG=1
M  V30 21 1 15 30
M  V30 22 1 16 17
M  V30 23 2 16 21
M  V30 24 2 17 19
M  V30 25 2 18 22
M  V30 26 1 19 20
M  V30 27 1 19 25
M  V30 28 2 20 24
M  V30 29 1 20 27
M  V30 30 1 21 22
M  V30 31 1 23 24
M  V30 32 2 23 26
M  V30 33 1 23 29
M  V30 34 1 26 28
M  V30 35 1 26 32
M  V30 36 2 27 28
M  V30 37 1 29 33
M  V30 END BOND
M  V30 END CTAB
M  END