File: BMS-986142_atrop5.sdf.expected.sdf

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rdkit 202503.1-5
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     RDKit          2D

  0  0  0  0  0  0  0  0  0  0999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 42 47 0 0 1
M  V30 BEGIN ATOM
M  V30 1 F 2.725500 0.192300 0.000000 0
M  V30 2 F 5.540600 -3.785700 0.000000 0
M  V30 3 O -3.594700 0.012100 0.000000 0
M  V30 4 O 0.536600 3.119900 0.000000 0
M  V30 5 O 3.403700 -0.854300 0.000000 0
M  V30 6 O 2.552000 -3.582300 0.000000 0
M  V30 7 N -0.256700 1.704600 0.000000 0
M  V30 8 N 2.977900 -2.218300 0.000000 0
M  V30 9 N 1.965300 3.136500 0.000000 0
M  V30 10 N 3.946100 -3.269100 0.000000 0
M  V30 11 C -1.953100 0.178300 0.000000 0
M  V30 12 C -1.448000 -0.516700 0.000000 0
M  V30 13 C -1.597600 0.960600 0.000000 0
M  V30 14 C -2.773900 0.095200 0.000000 0
M  V30 15 C -0.594100 -0.420400 0.000000 0
M  V30 16 C -0.741700 1.037200 0.000000 0
M  V30 17 C -0.256700 0.369800 0.000000 0
M  V30 18 C 0.527800 0.624700 0.000000 0
M  V30 19 C 0.527800 1.449700 0.000000 0
M  V30 20 C -2.857000 0.915900 0.000000 0
M  V30 21 C -2.690800 -0.725500 0.000000 0
M  V30 22 C 1.265100 0.183600 0.000000 0
M  V30 23 C 1.265200 1.890800 0.000000 0
M  V30 24 C 2.012600 0.607600 0.000000 0
M  V30 25 C 1.255600 -0.641100 0.000000 0
M  V30 26 C 2.012700 1.466900 0.000000 0
M  V30 27 C 1.965300 -1.061800 0.000000 0
M  V30 28 C 1.255600 2.715700 0.000000 0
M  V30 29 C 0.536500 -1.045400 0.000000 0
M  V30 30 C 1.955700 -1.886700 0.000000 0
M  V30 31 C 2.684400 -0.657600 0.000000 0
M  V30 32 C 0.527000 -1.870200 0.000000 0
M  V30 33 C 1.236500 -2.291000 0.000000 0
M  V30 34 C 3.584500 -1.659200 0.000000 0
M  V30 35 C 3.158700 -3.023200 0.000000 0
M  V30 36 C 4.372000 -1.905100 0.000000 0
M  V30 37 C 4.552800 -2.710000 0.000000 0
M  V30 38 C 4.994800 -1.313000 0.000000 0
M  V30 39 C 4.127000 -4.074000 0.000000 0
M  V30 40 C 5.369100 -2.978700 0.000000 0
M  V30 41 C 5.817100 -1.562800 0.000000 0
M  V30 42 C 6.005500 -2.401300 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 24
M  V30 2 1 2 40
M  V30 3 1 3 14
M  V30 4 2 4 28
M  V30 5 2 5 34
M  V30 6 2 6 35
M  V30 7 1 7 16
M  V30 8 1 7 19
M  V30 9 1 8 30
M  V30 10 1 8 34 CFG=3
M  V30 11 1 8 35 CFG=1
M  V30 12 1 9 28
M  V30 13 1 10 35
M  V30 14 1 10 37
M  V30 15 1 10 39
M  V30 16 1 11 12
M  V30 17 1 11 13
M  V30 18 1 11 14 CFG=3
M  V30 19 1 12 15
M  V30 20 1 13 16
M  V30 21 1 14 20
M  V30 22 1 14 21
M  V30 23 1 15 17
M  V30 24 2 16 17
M  V30 25 1 17 18
M  V30 26 2 18 19
M  V30 27 1 18 22
M  V30 28 1 19 23
M  V30 29 2 22 24
M  V30 30 1 22 25
M  V30 31 2 23 26
M  V30 32 1 23 28
M  V30 33 1 24 26
M  V30 34 2 25 27
M  V30 35 1 25 29
M  V30 36 1 27 30
M  V30 37 1 27 31
M  V30 38 2 29 32
M  V30 39 2 30 33
M  V30 40 1 32 33
M  V30 41 1 34 36
M  V30 42 2 36 37
M  V30 43 1 36 38
M  V30 44 1 37 40
M  V30 45 2 38 41
M  V30 46 2 40 42
M  V30 47 1 41 42
M  V30 END BOND
M  V30 END CTAB
M  END