File: AtomProps2.mol

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  -ISIS-  05110910502D

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   -3.0000   -7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  1  0  0
   -2.2855   -7.4625    0.0000 C   0  0  0  0  0  0  0  0  0  2  0  0
   -2.2855   -6.6375    0.0000 O   0  0  0  0  0  0  0  0  0  3  0  0
   -1.5711   -7.8750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  1  2  1  0  0  0  0
V    2 acidchloride
M  CHG  1   4  -1
V    3 testing
M  END