File: JDQ443_atropBad1.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 38 44 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl -3.580380 -4.750314 0.000000 0
M  V30 2 O -7.586461 5.016751 0.000000 0
M  V30 3 N -5.148943 3.931397 0.000000 0
M  V30 4 N -1.682644 -0.839455 0.000000 0
M  V30 5 N -0.142461 -0.839455 0.000000 0
M  V30 6 N 1.878878 -7.530448 0.000000 0
M  V30 7 N 2.777894 -6.290684 0.000000 0
M  V30 8 N 6.250914 -0.717159 0.000000 0
M  V30 9 N 6.089782 0.805287 0.000000 0
M  V30 10 C -3.868475 2.169214 0.000000 0
M  V30 11 C -4.109520 0.647702 0.000000 0
M  V30 12 C -2.347337 1.927983 0.000000 0
M  V30 13 C -2.588195 0.406471 0.000000 0
M  V30 14 C -5.389987 2.409885 0.000000 0
M  V30 15 C -3.627618 3.690539 0.000000 0
M  V30 16 C -6.054493 5.177510 0.000000 0
M  V30 17 C -2.158758 -2.304393 0.000000 0
M  V30 18 C -0.912459 -3.209757 0.000000 0
M  V30 19 C 0.333653 -2.304393 0.000000 0
M  V30 20 C -5.427890 6.584754 0.000000 0
M  V30 21 C -3.623697 -2.780508 0.000000 0
M  V30 22 C -0.912459 -4.750314 0.000000 0
M  V30 23 C 1.840228 -1.984183 0.000000 0
M  V30 24 C -6.333254 7.831053 0.000000 0
M  V30 25 C 0.421408 -5.520312 0.000000 0
M  V30 26 C -2.246699 -5.520312 0.000000 0
M  V30 27 C 2.316343 -0.519245 0.000000 0
M  V30 28 C 2.871063 -3.129098 0.000000 0
M  V30 29 C 0.421408 -7.060682 0.000000 0
M  V30 30 C -2.246699 -7.060682 0.000000 0
M  V30 31 C 3.822918 -0.198848 0.000000 0
M  V30 32 C 1.878878 -5.051106 0.000000 0
M  V30 33 C 4.377638 -2.808701 0.000000 0
M  V30 34 C -0.912459 -7.831053 0.000000 0
M  V30 35 C 4.853752 -1.343763 0.000000 0
M  V30 36 C -3.580380 -7.831053 0.000000 0
M  V30 37 C 4.592169 1.125123 0.000000 0
M  V30 38 C 7.586461 -1.485103 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
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