A1I3K
  CCTOOLS-0116261006

 18 18  0  0  0  0  0  0  0  0999 V2000
    1.8750    2.4070   -0.0020 C   0  0  0  0  0
    0.6380    1.6920   -0.0030 O   0  0  0  0  0
    0.7090    0.3400   -0.0020 C   0  0  0  0  0
    1.8890   -0.2560    0.0010 N   0  0  0  0  0
    2.0040   -1.5700    0.0020 C   0  0  0  0  0
    0.8870   -2.3870    0.0010 C   0  0  0  0  0
   -0.3730   -1.8170   -0.0010 C   0  0  0  0  0
   -0.4710   -0.4200    0.0030 C   0  0  0  0  0
   -1.7890    0.2400    0.0020 C   0  0  0  0  0
   -2.9140   -0.5020   -0.0040 O   0  0  0  0  0
   -1.8610    1.4520    0.0050 O   0  0  0  0  0
    2.4480    2.1430   -0.8910 H   0  0  0  0  0
    1.6760    3.4790   -0.0030 H   0  0  0  0  0
    2.4460    2.1440    0.8890 H   0  0  0  0  0
    2.9870   -2.0160    0.0030 H   0  0  0  0  0
    0.9990   -3.4610   -0.0030 H   0  0  0  0  0
   -1.2590   -2.4340   -0.0020 H   0  0  0  0  0
   -3.7550   -0.0250   -0.0050 H   0  0  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  2  1  1  0  0  0
  3  2  1  0  0  0
  4  3  1  0  0  0
  5  4  2  0  0  0
  5 15  1  0  0  0
  6  7  2  0  0  0
  6  5  1  0  0  0
  6 16  1  0  0  0
  7  8  1  0  0  0
  7 17  1  0  0  0
  8  9  1  0  0  0
  8  3  2  0  0  0
  9 11  2  0  0  0
  9 10  1  0  0  0
 10 18  1  0  0  0
M  END
$$$$
