File: adjustqueryprops_fivering_6.mol

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file content (22 lines) | stat: -rw-r--r-- 484 bytes parent folder | download | duplicates (6)
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query bonds are not affected
  Mrv2007 05282013572D          

  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 5 5 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S -4.4583 -1.3987 0 0
M  V30 2 C -5.792 -0.6287 0 0
M  V30 3 C -5.792 0.9113 0 0
M  V30 4 C -3.1247 0.9113 0 0
M  V30 5 C -3.1247 -0.6287 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 7 4 5
M  V30 2 7 2 3
M  V30 3 6 3 4
M  V30 4 6 1 5
M  V30 5 6 1 2
M  V30 END BOND
M  V30 END CTAB
M  END