File: ZM374979_atrop2.mrv.noReapply.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 45 49 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 4.668493 0.384778 0.000000 0
M  V30 2 N 3.334558 -0.384778 0.000000 0
M  V30 3 C 2.000623 0.384778 0.000000 0
M  V30 4 C 0.666874 -0.384778 0.000000 0
M  V30 5 C -0.666874 0.384778 0.000000 0
M  V30 6 C -2.000623 -0.384778 0.000000 0
M  V30 7 N -3.334558 0.384778 0.000000 0
M  V30 8 C -3.334558 1.925385 0.000000 0
M  V30 9 C -4.668493 2.695501 0.000000 0
M  V30 10 C -6.002241 1.925385 0.000000 0
M  V30 11 C -6.002241 0.384778 0.000000 0
M  V30 12 C -4.668493 -0.384778 0.000000 0
M  V30 13 C -7.336363 2.695501 0.000000 0
M  V30 14 C -7.336363 4.235361 0.000000 0
M  V30 15 S -6.002241 5.005477 0.000000 0
M  V30 16 C -4.668493 4.235361 0.000000 0
M  V30 17 O -6.002241 6.546084 0.000000 0
M  V30 18 C -8.670298 5.005477 0.000000 0
M  V30 19 C -10.003860 4.235361 0.000000 0
M  V30 20 C -10.003860 2.695501 0.000000 0
M  V30 21 C -8.670298 1.925385 0.000000 0
M  V30 22 C 0.666874 -1.925385 0.000000 0
M  V30 23 C -0.666874 -2.695501 0.000000 0
M  V30 24 C -0.666874 -4.235361 0.000000 0
M  V30 25 Cl -2.000623 -5.005477 0.000000 0
M  V30 26 C 0.666874 -5.005477 0.000000 0
M  V30 27 Cl 0.666874 -6.546084 0.000000 0
M  V30 28 C 2.000623 -4.235361 0.000000 0
M  V30 29 C 2.000623 -2.695501 0.000000 0
M  V30 30 C 3.334558 -1.925385 0.000000 0
M  V30 31 O 4.668493 1.925385 0.000000 0
M  V30 32 C 6.002241 -0.384778 0.000000 0
M  V30 33 C 7.336363 0.384778 0.000000 0
M  V30 34 C 8.670298 -0.384778 0.000000 0
M  V30 35 C 8.670298 -1.925385 0.000000 0
M  V30 36 C 7.336363 -2.695501 0.000000 0
M  V30 37 C 7.336363 -4.235361 0.000000 0
M  V30 38 N 7.336363 -5.775967 0.000000 0
M  V30 39 C 6.002241 -1.925385 0.000000 0
M  V30 40 C 4.668493 -2.695501 0.000000 0
M  V30 41 C 4.668493 -4.235361 0.000000 0
M  V30 42 C 10.003860 0.384778 0.000000 0
M  V30 43 C 10.003860 1.925385 0.000000 0
M  V30 44 C 8.670298 2.695501 0.000000 0
M  V30 45 C 7.336363 1.925385 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 4 3 CFG=1
M  V30 4 1 4 5
M  V30 5 1 5 6
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 7 12
M  V30 13 1 10 13
M  V30 14 2 13 14
M  V30 15 1 14 15
M  V30 16 1 15 16
M  V30 17 2 15 17
M  V30 18 1 14 18
M  V30 19 2 18 19
M  V30 20 1 19 20
M  V30 21 2 20 21
M  V30 22 1 13 21
M  V30 23 1 4 22
M  V30 24 2 22 23
M  V30 25 1 23 24
M  V30 26 1 24 25
M  V30 27 2 24 26
M  V30 28 1 26 27
M  V30 29 1 26 28
M  V30 30 2 28 29
M  V30 31 1 22 29
M  V30 32 1 2 30
M  V30 33 2 1 31
M  V30 34 1 1 32
M  V30 35 2 32 33
M  V30 36 1 33 34
M  V30 37 2 34 35
M  V30 38 1 35 36
M  V30 39 1 36 37
M  V30 40 3 37 38
M  V30 41 2 36 39
M  V30 42 1 32 39 CFG=1
M  V30 43 1 39 40
M  V30 44 1 40 41
M  V30 45 1 34 42
M  V30 46 2 42 43
M  V30 47 1 43 44
M  V30 48 2 44 45
M  V30 49 1 33 45
M  V30 END BOND
M  V30 END CTAB
M  END