File: sgroups_and_marvin_metal.mol

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file content (43 lines) | stat: -rw-r--r-- 904 bytes parent folder | download | duplicates (6)
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  Mrv2008 09012014512D          

  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 13 13 1 0 0
M  V30 BEGIN ATOM
M  V30 1 C -8.625 7.5417 0 0
M  V30 2 C -7.2913 8.3117 0 0
M  V30 3 O -9.9587 8.3117 0 0
M  V30 4 O -8.625 6.0017 0 0
M  V30 5 C -9.9587 5.2317 0 0
M  V30 6 C -11.2924 6.0016 0 0
M  V30 7 C -12.6261 5.2316 0 0
M  V30 8 C -12.6261 3.6916 0 0
M  V30 9 C -11.2924 2.9216 0 0
M  V30 10 C -9.9587 3.6917 0 0
M  V30 11 C -8.625 2.9217 0 0
M  V30 12 O -7.2913 3.6916 0 0
M  V30 13 O -8.625 1.3817 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 1 3
M  V30 3 1 1 4
M  V30 4 1 4 5
M  V30 5 2 6 7
M  V30 6 1 7 8
M  V30 7 2 8 9
M  V30 8 1 9 10
M  V30 9 1 5 6
M  V30 10 2 5 10
M  V30 11 1 10 11
M  V30 12 2 11 12
M  V30 13 1 11 13
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 0 -
M  V30 ATOMS=(1 2) -
M  V30 LABEL="M"
M  V30 END SGROUP
M  V30 END CTAB
M  END