File: dative_bonds_one.mol

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file content (23 lines) | stat: -rw-r--r-- 495 bytes parent folder | download | duplicates (7)
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  ACCLDraw12041617302D

  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 6 5 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 11.313 -11.8125 0 0 
M  V30 2 C 11.313 -12.6375 0 0 
M  V30 3 C 12.0274 -13.05 0 0 
M  V30 4 O 12.0274 -13.875 0 0 
M  V30 5 O 12.7419 -12.6375 0 0 
M  V30 6 Cu 14.0625 -12.6563 0 0 
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2 
M  V30 2 1 2 3 
M  V30 3 2 3 4 
M  V30 4 1 3 5 
M  V30 5 9 5 6 
M  V30 END BOND
M  V30 END CTAB
M  END