File: BigMacrocycle.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 48 48 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 11.536117 0.000000 0.000000 0
M  V30 2 C 10.036117 0.000000 0.000000 0
M  V30 3 C 9.924022 -1.495806 0.000000 0
M  V30 4 C 9.590241 -2.958198 0.000000 0
M  V30 5 C 9.042229 -4.354508 0.000000 0
M  V30 6 C 8.292229 -5.653546 0.000000 0
M  V30 7 C 7.356995 -6.826294 0.000000 0
M  V30 8 C 6.257417 -7.846553 0.000000 0
M  V30 9 C 5.018059 -8.691533 0.000000 0
M  V30 10 C 3.666605 -9.342358 0.000000 0
M  V30 11 C 2.233246 -9.784491 0.000000 0
M  V30 12 O 2.567028 -11.246883 0.000000 0
M  V30 13 O 0.750000 -10.008054 0.000000 0
M  V30 14 C -0.750000 -10.008054 0.000000 0
M  V30 15 C -2.233246 -9.784491 0.000000 0
M  V30 16 N -3.666605 -9.342358 0.000000 0
M  V30 17 C -5.018059 -8.691533 0.000000 0
M  V30 18 C -5.768059 -9.990571 0.000000 0
M  V30 19 C -6.257417 -7.846553 0.000000 0
M  V30 20 C -7.356995 -6.826294 0.000000 0
M  V30 21 C -8.292229 -5.653546 0.000000 0
M  V30 22 C -9.042229 -4.354508 0.000000 0
M  V30 23 C -9.590241 -2.958198 0.000000 0
M  V30 24 C -9.924022 -1.495806 0.000000 0
M  V30 25 C -10.036117 0.000000 0.000000 0
M  V30 26 C -9.924022 1.495806 0.000000 0
M  V30 27 C -9.590241 2.958198 0.000000 0
M  V30 28 O -11.023600 3.400330 0.000000 0
M  V30 29 O -9.042229 4.354508 0.000000 0
M  V30 30 C -8.292229 5.653546 0.000000 0
M  V30 31 C -7.356995 6.826294 0.000000 0
M  V30 32 N -6.257417 7.846553 0.000000 0
M  V30 33 C -5.018059 8.691533 0.000000 0
M  V30 34 C -5.768059 9.990571 0.000000 0
M  V30 35 C -3.666605 9.342358 0.000000 0
M  V30 36 C -2.233246 9.784491 0.000000 0
M  V30 37 C -0.750000 10.008054 0.000000 0
M  V30 38 C 0.750000 10.008054 0.000000 0
M  V30 39 C 2.233246 9.784491 0.000000 0
M  V30 40 C 3.666605 9.342358 0.000000 0
M  V30 41 C 5.018059 8.691533 0.000000 0
M  V30 42 C 6.257417 7.846553 0.000000 0
M  V30 43 C 7.356995 6.826294 0.000000 0
M  V30 44 O 8.456573 7.846553 0.000000 0
M  V30 45 O 8.292229 5.653546 0.000000 0
M  V30 46 C 9.042229 4.354508 0.000000 0
M  V30 47 C 9.590241 2.958198 0.000000 0
M  V30 48 N 9.924022 1.495806 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 2 1 CFG=3
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 5 6
M  V30 6 1 6 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 2 11 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 17 18 CFG=3
M  V30 18 1 17 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 23 24
M  V30 24 1 24 25
M  V30 25 1 25 26
M  V30 26 1 26 27
M  V30 27 2 27 28
M  V30 28 1 27 29
M  V30 29 1 29 30
M  V30 30 1 30 31
M  V30 31 1 31 32
M  V30 32 1 32 33
M  V30 33 1 33 34 CFG=3
M  V30 34 1 33 35
M  V30 35 1 35 36
M  V30 36 1 36 37
M  V30 37 1 37 38
M  V30 38 1 38 39
M  V30 39 1 39 40
M  V30 40 1 40 41
M  V30 41 1 41 42
M  V30 42 1 42 43
M  V30 43 2 43 44
M  V30 44 1 43 45
M  V30 45 1 45 46
M  V30 46 1 46 47
M  V30 47 1 47 48
M  V30 48 1 48 2
M  V30 END BOND
M  V30 END CTAB
M  END