File: JDQ443_atrop2.mrv.nosan.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 -3.580004 -4.749628 0.000000 0
M  V30 2 O -7.585665 5.016224 0.000000 0
M  V30 3 N -5.148215 3.930798 0.000000 0
M  V30 4 N -1.682467 -0.839180 0.000000 0
M  V30 5 N -0.142446 -0.839180 0.000000 0
M  V30 6 N 1.878680 -7.529657 0.000000 0
M  V30 7 N 2.777602 -6.289836 0.000000 0
M  V30 8 N 6.250258 -0.716897 0.000000 0
M  V30 9 N 6.089143 0.805015 0.000000 0
M  V30 10 C -3.868069 2.168800 0.000000 0
M  V30 11 C -4.109088 0.647634 0.000000 0
M  V30 12 C -2.346904 1.927780 0.000000 0
M  V30 13 C -2.587736 0.406242 0.000000 0
M  V30 14 C -5.389235 2.409632 0.000000 0
M  V30 15 C -3.627237 3.689965 0.000000 0
M  V30 16 C -6.053858 5.176779 0.000000 0
M  V30 17 C -2.158532 -2.304151 0.000000 0
M  V30 18 C -0.912363 -3.209234 0.000000 0
M  V30 19 C 0.333432 -2.304151 0.000000 0
M  V30 20 C -5.427133 6.583876 0.000000 0
M  V30 21 C -3.623316 -2.780216 0.000000 0
M  V30 22 C -0.912363 -4.749628 0.000000 0
M  V30 23 C 1.839849 -1.983975 0.000000 0
M  V30 24 C -6.332589 7.830044 0.000000 0
M  V30 25 C 0.421364 -5.519546 0.000000 0
M  V30 26 C -2.246277 -5.519546 0.000000 0
M  V30 27 C 2.315913 -0.519190 0.000000 0
M  V30 28 C 2.870574 -3.128769 0.000000 0
M  V30 29 C 0.421364 -7.059754 0.000000 0
M  V30 30 C -2.246277 -7.059754 0.000000 0
M  V30 31 C 3.822516 -0.198640 0.000000 0
M  V30 32 C 1.878680 -5.050389 0.000000 0
M  V30 33 C 4.376991 -2.808406 0.000000 0
M  V30 34 C -0.912363 -7.830044 0.000000 0
M  V30 35 C 4.853056 -1.343622 0.000000 0
M  V30 36 C -3.580004 -7.830044 0.000000 0
M  V30 37 C 4.591500 1.124819 0.000000 0
M  V30 38 C 7.585665 -1.484947 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 CFG=1
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