File: BMS-986142_atrop2.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 2.115800 0.548900 0.000000 0
M  V30 2 F 4.930900 -3.429200 0.000000 0
M  V30 3 O -4.204500 0.368700 0.000000 0
M  V30 4 O -0.073100 3.476500 0.000000 0
M  V30 5 O 2.794000 -0.497800 0.000000 0
M  V30 6 O 1.942300 -3.225800 0.000000 0
M  V30 7 N -0.866500 2.061200 0.000000 0
M  V30 8 N 2.368200 -1.861800 0.000000 0
M  V30 9 N 1.355600 3.493100 0.000000 0
M  V30 10 N 3.336400 -2.912600 0.000000 0
M  V30 11 C -2.562900 0.534900 0.000000 0
M  V30 12 C -2.057800 -0.160200 0.000000 0
M  V30 13 C -2.207400 1.317200 0.000000 0
M  V30 14 C -3.383700 0.451800 0.000000 0
M  V30 15 C -1.203900 -0.063900 0.000000 0
M  V30 16 C -1.351500 1.393800 0.000000 0
M  V30 17 C -0.866500 0.726400 0.000000 0
M  V30 18 C -0.081900 0.981300 0.000000 0
M  V30 19 C -0.081900 1.806300 0.000000 0
M  V30 20 C -3.466800 1.272500 0.000000 0
M  V30 21 C -3.300600 -0.369000 0.000000 0
M  V30 22 C 0.655400 0.540200 0.000000 0
M  V30 23 C 0.655500 2.247400 0.000000 0
M  V30 24 C 1.402900 0.964200 0.000000 0
M  V30 25 C 0.645900 -0.284600 0.000000 0
M  V30 26 C 1.403000 1.823500 0.000000 0
M  V30 27 C 1.355600 -0.705300 0.000000 0
M  V30 28 C 0.645900 3.072300 0.000000 0
M  V30 29 C -0.073200 -0.688900 0.000000 0
M  V30 30 C 1.346000 -1.530200 0.000000 0
M  V30 31 C 2.074700 -0.301100 0.000000 0
M  V30 32 C -0.082700 -1.513700 0.000000 0
M  V30 33 C 0.626800 -1.934500 0.000000 0
M  V30 34 C 2.974800 -1.302700 0.000000 0
M  V30 35 C 2.549000 -2.666700 0.000000 0
M  V30 36 C 3.762300 -1.548600 0.000000 0
M  V30 37 C 3.943100 -2.353500 0.000000 0
M  V30 38 C 4.385100 -0.956500 0.000000 0
M  V30 39 C 3.517300 -3.717500 0.000000 0
M  V30 40 C 4.759400 -2.622200 0.000000 0
M  V30 41 C 5.207400 -1.206300 0.000000 0
M  V30 42 C 5.395800 -2.044800 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
M  V30 11 1 8 35
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 30 27 CFG=1
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