File: JDQ443_atrop2.cxsmi.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 38 44 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl -1.917600 -2.544100 0.000000 0
M  V30 2 C -1.203200 -2.956500 0.000000 0
M  V30 3 C -0.488700 -2.544100 0.000000 0
M  V30 4 C -0.488700 -1.719000 0.000000 0
M  V30 5 C -1.156200 -1.234200 0.000000 0
M  V30 6 C -1.940800 -1.489200 0.000000 0
M  V30 7 N -0.901200 -0.449500 0.000000 0
M  V30 8 C -1.386100 0.217600 0.000000 0
M  V30 9 C -2.201000 0.346900 0.000000 0
M  V30 10 C -2.071900 1.161700 0.000000 0
M  V30 11 C -1.257100 1.032600 0.000000 0
M  V30 12 C -2.886700 1.290700 0.000000 0
M  V30 13 N -2.757600 2.105500 0.000000 0
M  V30 14 C -3.242700 2.772900 0.000000 0
M  V30 15 O -4.063200 2.686900 0.000000 0
M  V30 16 C -2.907000 3.526600 0.000000 0
M  V30 17 C -3.392000 4.194100 0.000000 0
M  V30 18 C -1.942900 1.976500 0.000000 0
M  V30 19 N -0.076300 -0.449500 0.000000 0
M  V30 20 C 0.178600 -1.234200 0.000000 0
M  V30 21 C 0.985500 -1.062700 0.000000 0
M  V30 22 C 1.240500 -0.278100 0.000000 0
M  V30 23 C 2.047500 -0.106400 0.000000 0
M  V30 24 C 2.599500 -0.719700 0.000000 0
M  V30 25 N 3.347900 -0.384000 0.000000 0
M  V30 26 C 4.063200 -0.795400 0.000000 0
M  V30 27 N 3.261600 0.431200 0.000000 0
M  V30 28 C 2.459400 0.602500 0.000000 0
M  V30 29 C 2.344500 -1.504300 0.000000 0
M  V30 30 C 1.537600 -1.675900 0.000000 0
M  V30 31 C 0.225700 -2.956500 0.000000 0
M  V30 32 C 0.225700 -3.781500 0.000000 0
M  V30 33 N 1.006300 -4.033200 0.000000 0
M  V30 34 N 1.487800 -3.369100 0.000000 0
M  V30 35 C 1.006300 -2.705200 0.000000 0
M  V30 36 C -0.488700 -4.194100 0.000000 0
M  V30 37 C -1.203200 -3.781500 0.000000 0
M  V30 38 C -1.917600 -4.194100 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 3 4
M  V30 4 2 4 5
M  V30 5 1 5 6
M  V30 6 1 5 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 10 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 13 18
M  V30 18 1 7 19
M  V30 19 2 19 20
M  V30 20 1 20 21
M  V30 21 2 21 22
M  V30 22 1 22 23
M  V30 23 2 23 24
M  V30 24 1 24 25
M  V30 25 1 25 26
M  V30 26 1 25 27
M  V30 27 2 27 28
M  V30 28 1 24 29
M  V30 29 2 29 30
M  V30 30 1 3 31 CFG=1
M  V30 31 2 31 32
M  V30 32 1 32 33
M  V30 33 1 33 34
M  V30 34 2 34 35
M  V30 35 1 32 36
M  V30 36 2 36 37
M  V30 37 1 37 38
M  V30 38 1 37 2
M  V30 39 1 20 4
M  V30 40 1 30 21
M  V30 41 1 35 31
M  V30 42 1 11 8
M  V30 43 1 28 23
M  V30 44 1 18 10
M  V30 END BOND
M  V30 END CTAB
M  END