File: JDQ443_atrop4.cxsmi.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 38 44 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl -2.312800 3.180400 0.000000 0
M  V30 2 C -2.484300 2.373600 0.000000 0
M  V30 3 C -1.871200 1.821400 0.000000 0
M  V30 4 C -1.086500 2.076400 0.000000 0
M  V30 5 C -0.831600 2.861000 0.000000 0
M  V30 6 C -1.316600 3.528400 0.000000 0
M  V30 7 N -0.006600 2.861000 0.000000 0
M  V30 8 C 0.478000 3.528400 0.000000 0
M  V30 9 C 0.349100 4.343300 0.000000 0
M  V30 10 C 1.164000 4.472300 0.000000 0
M  V30 11 C 1.292900 3.657600 0.000000 0
M  V30 12 C 1.034800 5.287200 0.000000 0
M  V30 13 N 1.849700 5.416200 0.000000 0
M  V30 14 C 2.334600 6.083700 0.000000 0
M  V30 15 O 1.999200 6.837400 0.000000 0
M  V30 16 C 3.155100 5.997400 0.000000 0
M  V30 17 C 3.640100 6.664900 0.000000 0
M  V30 18 C 1.978800 4.601400 0.000000 0
M  V30 19 N 0.248200 2.076500 0.000000 0
M  V30 20 C -0.419100 1.591500 0.000000 0
M  V30 21 C -0.006700 0.877100 0.000000 0
M  V30 22 C 0.818200 0.877000 0.000000 0
M  V30 23 C 1.230800 0.162600 0.000000 0
M  V30 24 C 0.818200 -0.551800 0.000000 0
M  V30 25 N 1.368600 -1.159800 0.000000 0
M  V30 26 C 1.198500 -1.967200 0.000000 0
M  V30 27 N 2.117400 -0.825800 0.000000 0
M  V30 28 C 2.032500 -0.010000 0.000000 0
M  V30 29 C -0.006700 -0.551800 0.000000 0
M  V30 30 C -0.419300 0.162500 0.000000 0
M  V30 31 C -2.042700 1.014500 0.000000 0
M  V30 32 C -2.827300 0.759600 0.000000 0
M  V30 33 N -2.825400 -0.060500 0.000000 0
M  V30 34 N -2.045100 -0.313200 0.000000 0
M  V30 35 C -1.562400 0.349800 0.000000 0
M  V30 36 C -3.440500 1.311500 0.000000 0
M  V30 37 C -3.268900 2.118600 0.000000 0
M  V30 38 C -3.882000 2.670500 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 4 20 CFG=3
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