File: GenericSgroup.sdf

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file content (46 lines) | stat: -rw-r--r-- 1,074 bytes parent folder | download | duplicates (2)
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  Mrv2311 01152402292D          

  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 15 14 1 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.6669 3.08 0 0
M  V30 2 C -0.6669 1.54 0 0
M  V30 3 N 0.6668 0.77 0 0
M  V30 4 C 2.0005 1.54 0 0
M  V30 5 C 2.0005 3.08 0 0
M  V30 6 N 0.6668 3.85 0 0
M  V30 7 C 0.6668 -0.77 0 0
M  V30 8 O 2.0005 -1.54 0 0
M  V30 9 O -0.6669 -1.54 0 0
M  V30 10 C -2.0005 -3.85 0 0
M  V30 11 C 0.6668 -3.85 0 0
M  V30 12 C 0.6668 -2.31 0 0
M  V30 13 C -0.6669 -3.08 0 0
M  V30 14 C -12.9375 2.125 0 0
M  V30 15 O -11.4729 1.6491 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 6 1
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 1 3 7
M  V30 6 1 4 5
M  V30 7 1 5 6
M  V30 8 2 7 8
M  V30 9 1 7 9
M  V30 10 1 9 13
M  V30 11 1 13 10
M  V30 12 1 13 11
M  V30 13 1 13 12
M  V30 14 1 14 15
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 GEN 0 ATOMS=(13 1 2 3 4 5 6 7 8 9 10 11 12 13) BRKXYZ=(9 -3.0785 -
M  V30 -4.928 0 -3.0785 4.928 0 0 0 0) BRKXYZ=(9 3.0785 4.928 0 3.0785 -4.928 -
M  V30 0 0 0 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END