LA25TK
  -OEChem-05022321573D

 16 16  0     0  0  0  0  0  0999 V2000
   -2.6297   -0.0390    0.4830 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7231    2.2976   -0.0374 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2589   -0.2968   -0.2341 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0648   -1.0149   -0.7898 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8565   -0.0876    0.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1221    1.0755    0.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2608    1.0051   -0.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9095   -0.2280   -0.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2079   -1.3209    0.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750   -1.3910    0.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8358    1.9102   -0.3162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7590   -2.2403    0.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6749   -2.3544    0.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0486    2.9781   -0.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6048    0.5997   -0.3848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1366   -1.9535   -0.4962 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 14  1  0  0  0  0
  3  8  1  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END

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