File: Sotorasib.sdf.expected2.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 41 45 0 0 1
M  V30 BEGIN ATOM
M  V30 1 F -1.455800 -0.058300 0.000000 0
M  V30 2 F -0.736500 -2.983000 0.000000 0
M  V30 3 O 0.742100 3.634100 0.000000 0
M  V30 4 O 2.885500 -1.728300 0.000000 0
M  V30 5 O -2.175000 -0.513500 0.000000 0
M  V30 6 N 1.456600 0.746600 0.000000 0
M  V30 7 N 1.456600 2.396600 0.000000 0
M  V30 8 N 1.456600 -1.728300 0.000000 0
M  V30 9 N 2.171100 -0.490800 0.000000 0
M  V30 10 N 0.004600 -1.757000 0.000000 0
M  V30 11 N 0.742100 -3.790900 0.000000 0
M  V30 12 C 2.171100 1.159100 0.000000 0
M  V30 13 C 2.171100 1.984100 0.000000 0
M  V30 14 C 0.742100 1.159100 0.000000 0
M  V30 15 C 0.742100 1.984100 0.000000 0
M  V30 16 C 1.456600 -0.078300 0.000000 0
M  V30 17 C 2.885500 0.746600 0.000000 0
M  V30 18 C 0.742100 -0.490800 0.000000 0
M  V30 19 C 1.456600 3.221600 0.000000 0
M  V30 20 C 0.742100 -1.315800 0.000000 0
M  V30 21 C 1.456600 -2.553400 0.000000 0
M  V30 22 C 2.171100 -1.315800 0.000000 0
M  V30 23 C 0.004600 -0.049700 0.000000 0
M  V30 24 C 0.742100 -2.965900 0.000000 0
M  V30 25 C -0.070200 -3.109100 0.000000 0
M  V30 26 C 2.171100 3.634100 0.000000 0
M  V30 27 C -0.742800 -0.473700 0.000000 0
M  V30 28 C 2.171100 -2.965900 0.000000 0
M  V30 29 C -0.742800 -1.333000 0.000000 0
M  V30 30 C -0.352600 -3.884400 0.000000 0
M  V30 31 C -0.600600 -2.477100 0.000000 0
M  V30 32 C 2.171100 -3.790900 0.000000 0
M  V30 33 C -1.455800 -1.748300 0.000000 0
M  V30 34 C 2.885500 -2.553400 0.000000 0
M  V30 35 C 1.456600 -4.203400 0.000000 0
M  V30 36 C 2.171100 4.459100 0.000000 0
M  V30 37 C -2.171700 -1.338500 0.000000 0
M  V30 38 C -1.452500 -2.573300 0.000000 0
M  V30 39 C -2.884700 -1.753800 0.000000 0
M  V30 40 C -2.165400 -2.988500 0.000000 0
M  V30 41 C -2.881500 -2.578800 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 27
M  V30 2 1 2 38
M  V30 3 2 3 19
M  V30 4 2 4 22
M  V30 5 1 5 37
M  V30 6 1 6 12
M  V30 7 1 6 14
M  V30 8 1 6 16
M  V30 9 1 7 13
M  V30 10 1 7 15
M  V30 11 1 7 19
M  V30 12 1 8 20
M  V30 13 1 8 21
M  V30 14 1 8 22
M  V30 15 2 9 16
M  V30 16 1 9 22
M  V30 17 1 10 20
M  V30 18 2 10 29
M  V30 19 2 11 24
M  V30 20 1 11 35
M  V30 21 1 12 13
M  V30 22 1 12 17 CFG=3
M  V30 23 1 14 15
M  V30 24 1 16 18
M  V30 25 2 18 20
M  V30 26 1 18 23
M  V30 27 1 19 26
M  V30 28 1 21 24
M  V30 29 2 21 28
M  V30 30 2 23 27
M  V30 31 1 24 25
M  V30 32 1 25 30
M  V30 33 1 25 31
M  V30 34 2 26 36
M  V30 35 1 27 29
M  V30 36 1 28 32
M  V30 37 1 28 34
M  V30 38 1 29 33
M  V30 39 2 32 35
M  V30 40 2 33 37
M  V30 41 1 33 38
M  V30 42 1 37 39
M  V30 43 2 38 40
M  V30 44 2 39 41
M  V30 45 1 40 41
M  V30 END BOND
M  V30 END CTAB
M  END