File: DativeBond2000.mol

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file content (16 lines) | stat: -rw-r--r-- 612 bytes parent folder | download | duplicates (4)
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  MJ211800                      

  6  5  0  0  0  0  0  0  0  0999 V2000
    0.2750    0.4763    0.0000 Mg  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1374    1.1907    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    0.4763    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1374   -1.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750   -0.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -0.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  1  9  0  0  0  0
M  END