File: macrocycle-5-meta-Cl-ortho-hash.sdf

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macro-atrop.sdf
  ChemDraw03242410222D

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 0.707022 0.816412 0.000000 0
M  V30 2 C 0.707028 0.000005 0.000000 0
M  V30 3 C 1.414057 -0.408198 0.000000 0
M  V30 4 C 2.121084 0.000009 0.000000 0
M  V30 5 C 2.121076 0.816415 0.000000 0
M  V30 6 F 1.414057 -1.224605 0.000000 0
M  V30 7 C -1.414055 -0.408215 0.000000 0
M  V30 8 C -1.414049 -1.224621 0.000000 0
M  V30 9 C -0.707017 -1.632818 0.000000 0
M  V30 10 C 0.000009 -1.224610 0.000000 0
M  V30 11 C 0.000003 -0.408203 0.000000 0
M  V30 12 C -0.707029 -0.000005 0.000000 0
M  V30 13 C -0.707035 0.816401 0.000000 0
M  V30 14 F -0.707017 -2.449225 0.000000 0
M  V30 15 C -0.000010 1.224610 0.000000 0
M  V30 16 C -0.000016 2.041016 0.000000 0
M  V30 17 Cl -2.121084 -0.000011 0.000000 0
M  V30 18 C 1.414042 2.041027 0.000000 0
M  V30 19 C 0.707010 2.449225 0.000000 0
M  V30 20 C 1.414048 1.224620 0.000000 0
M  V30 21 Cl 0.344026 1.813735 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 20
M  V30 6 1 20 1
M  V30 7 1 3 6
M  V30 8 2 7 8
M  V30 9 1 8 9
M  V30 10 2 9 10
M  V30 11 1 11 10 CFG=3
M  V30 12 2 11 12
M  V30 13 1 12 7
M  V30 14 1 12 13
M  V30 15 1 9 14
M  V30 16 1 2 11
M  V30 17 1 13 15
M  V30 18 1 15 16
M  V30 19 1 7 17
M  V30 20 1 20 18
M  V30 21 1 18 19
M  V30 22 1 19 16
M  V30 23 1 1 21
M  V30 END BOND
M  V30 END CTAB
M  END