File: JDQ443_atrop1.sdf.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 1
M  V30 BEGIN ATOM
M  V30 1 Cl -2.312800 3.180400 0.000000 0
M  V30 2 O 1.999200 6.837400 0.000000 0
M  V30 3 N 1.849700 5.416200 0.000000 0
M  V30 4 N -0.006600 2.861000 0.000000 0
M  V30 5 N 0.248200 2.076500 0.000000 0
M  V30 6 N -2.825400 -0.060500 0.000000 0
M  V30 7 N -2.045100 -0.313200 0.000000 0
M  V30 8 N 1.368600 -1.159800 0.000000 0
M  V30 9 N 2.117400 -0.825800 0.000000 0
M  V30 10 C 1.164000 4.472300 0.000000 0
M  V30 11 C 0.349100 4.343300 0.000000 0
M  V30 12 C 1.292900 3.657600 0.000000 0
M  V30 13 C 0.478000 3.528400 0.000000 0
M  V30 14 C 1.034800 5.287200 0.000000 0
M  V30 15 C 1.978800 4.601400 0.000000 0
M  V30 16 C 2.334600 6.083700 0.000000 0
M  V30 17 C -0.831600 2.861000 0.000000 0
M  V30 18 C -1.086500 2.076400 0.000000 0
M  V30 19 C -0.419100 1.591500 0.000000 0
M  V30 20 C 3.155100 5.997400 0.000000 0
M  V30 21 C -1.316600 3.528400 0.000000 0
M  V30 22 C -1.871200 1.821400 0.000000 0
M  V30 23 C -0.006700 0.877100 0.000000 0
M  V30 24 C 3.640100 6.664900 0.000000 0
M  V30 25 C -2.042700 1.014500 0.000000 0
M  V30 26 C -2.484300 2.373600 0.000000 0
M  V30 27 C 0.818200 0.877000 0.000000 0
M  V30 28 C -0.419300 0.162500 0.000000 0
M  V30 29 C -2.827300 0.759600 0.000000 0
M  V30 30 C -3.268900 2.118600 0.000000 0
M  V30 31 C 1.230800 0.162600 0.000000 0
M  V30 32 C -1.562400 0.349800 0.000000 0
M  V30 33 C -0.006700 -0.551800 0.000000 0
M  V30 34 C -3.440500 1.311500 0.000000 0
M  V30 35 C 0.818200 -0.551800 0.000000 0
M  V30 36 C -3.882000 2.670500 0.000000 0
M  V30 37 C 2.032500 -0.010000 0.000000 0
M  V30 38 C 1.198500 -1.967200 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 26
M  V30 2 2 2 16
M  V30 3 1 3 14
M  V30 4 1 3 15
M  V30 5 1 3 16
M  V30 6 1 4 5
M  V30 7 1 4 13
M  V30 8 1 4 17
M  V30 9 2 5 19
M  V30 10 1 6 7
M  V30 11 1 6 29
M  V30 12 2 7 32
M  V30 13 1 8 9
M  V30 14 1 8 35
M  V30 15 1 8 38
M  V30 16 2 9 37
M  V30 17 1 10 11
M  V30 18 1 10 12
M  V30 19 1 10 14
M  V30 20 1 10 15
M  V30 21 1 11 13
M  V30 22 1 12 13
M  V30 23 1 16 20
M  V30 24 2 17 18
M  V30 25 1 17 21
M  V30 26 1 18 19 CFG=3
M  V30 27 1 18 22
M  V30 28 1 19 23
M  V30 29 2 20 24
M  V30 30 1 22 25
M  V30 31 2 22 26
M  V30 32 2 23 27
M  V30 33 1 23 28
M  V30 34 2 25 29
M  V30 35 1 25 32
M  V30 36 1 26 30
M  V30 37 1 27 31
M  V30 38 2 28 33
M  V30 39 1 29 34
M  V30 40 2 30 34
M  V30 41 1 30 36
M  V30 42 2 31 35
M  V30 43 1 31 37
M  V30 44 1 33 35
M  V30 END BOND
M  V30 END CTAB
M  END