D04EXX
          06171000262D 1   1.00000     0.00000     0

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    1.1862    0.2966    0.0000 C   0  0  0  0  0  0           0  0  0
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   -0.8759    1.0069    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6000   -0.4172    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.2897    0.2966    0.0000 C   0  0  0  0  0  0           0  0  0
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    2.8414   -1.1276    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.6621   -1.1310    0.0000 N   0  0  0  0  0  0           0  0  0
    2.4241   -1.8448    0.0000 S   0  0  0  0  0  0           0  0  0
   -3.3517    1.0069    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.1069    1.7276    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
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 13 17  2  0     0  0
  6  8  2  0     0  0
M  END

$$$$