File: RP-6306_atrop2.cxsmi.expected.sdf

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rdkit 202503.1-4
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     RDKit          2D

  0  0  0  0  0  0  0  0  0  0999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.099200 3.558900 0.000000 0
M  V30 2 C 2.269400 2.751700 0.000000 0
M  V30 3 C 1.655400 2.200800 0.000000 0
M  V30 4 C 0.871200 2.457100 0.000000 0
M  V30 5 C 1.825500 1.393500 0.000000 0
M  V30 6 N 1.063700 0.445200 0.000000 0
M  V30 7 C 0.812200 -0.335300 0.000000 0
M  V30 8 C -0.012600 -0.335300 0.000000 0
M  V30 9 C -0.264000 0.445200 0.000000 0
M  V30 10 C -1.048200 0.701500 0.000000 0
M  V30 11 O -1.662100 0.150500 0.000000 0
M  V30 12 N -1.218200 1.508700 0.000000 0
M  V30 13 C 0.399800 0.926600 0.000000 0
M  V30 14 N 0.399800 1.751600 0.000000 0
M  V30 15 C -0.425000 -1.049800 0.000000 0
M  V30 16 C -0.012600 -1.764200 0.000000 0
M  V30 17 C -0.425000 -2.478600 0.000000 0
M  V30 18 C 0.812200 -1.764200 0.000000 0
M  V30 19 C 1.224700 -2.478600 0.000000 0
M  V30 20 N 1.224700 -1.049800 0.000000 0
M  V30 21 C 2.609600 1.137200 0.000000 0
M  V30 22 C 2.779700 0.330000 0.000000 0
M  V30 23 C 3.223600 1.688200 0.000000 0
M  V30 24 C 3.053500 2.495400 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 1 3 5
M  V30 5 1 5 6
M  V30 6 1 6 7 CFG=3
M  V30 7 2 7 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 2 9 13
M  V30 13 1 13 14
M  V30 14 1 8 15
M  V30 15 2 15 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 2 18 20
M  V30 20 2 5 21
M  V30 21 1 21 22
M  V30 22 1 21 23
M  V30 23 2 23 24
M  V30 24 1 24 2
M  V30 25 1 13 6
M  V30 26 1 20 7
M  V30 END BOND
M  V30 END CTAB
M  END