File: BMS-986142_atrop7.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 1.520000 0.661000 0.000000 0
M  V30 2 F 4.335200 -3.316900 0.000000 0
M  V30 3 O -4.800100 0.480800 0.000000 0
M  V30 4 O -0.668600 3.588600 0.000000 0
M  V30 5 O 2.198300 -0.385600 0.000000 0
M  V30 6 O 1.346600 -3.113600 0.000000 0
M  V30 7 N -1.462100 2.173300 0.000000 0
M  V30 8 N 1.772500 -1.749500 0.000000 0
M  V30 9 N 0.759900 3.605300 0.000000 0
M  V30 10 N 2.740700 -2.800200 0.000000 0
M  V30 11 C -3.158500 0.646900 0.000000 0
M  V30 12 C -2.653300 -0.048000 0.000000 0
M  V30 13 C -2.803000 1.429200 0.000000 0
M  V30 14 C -3.979200 0.563800 0.000000 0
M  V30 15 C -1.799500 0.048200 0.000000 0
M  V30 16 C -1.947100 1.505800 0.000000 0
M  V30 17 C -1.462100 0.838500 0.000000 0
M  V30 18 C -0.677500 1.093300 0.000000 0
M  V30 19 C -0.677500 1.918500 0.000000 0
M  V30 20 C -4.062300 1.384600 0.000000 0
M  V30 21 C -3.896100 -0.256800 0.000000 0
M  V30 22 C 0.059600 0.652200 0.000000 0
M  V30 23 C 0.059700 2.359500 0.000000 0
M  V30 24 C 0.807200 1.076300 0.000000 0
M  V30 25 C 0.050100 -0.172300 0.000000 0
M  V30 26 C 0.807300 1.935500 0.000000 0
M  V30 27 C 0.759900 -0.593000 0.000000 0
M  V30 28 C 0.050100 3.184300 0.000000 0
M  V30 29 C -0.668700 -0.576600 0.000000 0
M  V30 30 C 0.750300 -1.417900 0.000000 0
M  V30 31 C 1.479000 -0.188800 0.000000 0
M  V30 32 C -0.678300 -1.401400 0.000000 0
M  V30 33 C 0.031100 -1.822200 0.000000 0
M  V30 34 C 2.379100 -1.190500 0.000000 0
M  V30 35 C 1.953300 -2.554500 0.000000 0
M  V30 36 C 3.166600 -1.436400 0.000000 0
M  V30 37 C 3.347400 -2.241300 0.000000 0
M  V30 38 C 3.789300 -0.844200 0.000000 0
M  V30 39 C 2.921600 -3.605300 0.000000 0
M  V30 40 C 4.163600 -2.509800 0.000000 0
M  V30 41 C 4.611600 -1.094000 0.000000 0
M  V30 42 C 4.800100 -1.932500 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 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 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