A1I13
  CCTOOLS-0116261006

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.7950    0.4710   -0.0040 C   0  0  0  0  0
    2.5050    1.0870    0.0010 O   0  0  0  0  0
    1.4280    0.2620    0.0010 C   0  0  0  0  0
    1.5880   -1.1210    0.0010 C   0  0  0  0  0
    0.4680   -1.9320    0.0010 C   0  0  0  0  0
   -0.7430   -1.4150    0.0000 N   0  0  0  0  0
   -0.9430   -0.1020   -0.0000 C   0  0  0  0  0
    0.1340    0.7780    0.0060 C   0  0  0  0  0
   -2.3260    0.4300   -0.0010 C   0  0  0  0  0
   -3.3740   -0.4170   -0.0010 N   0  0  0  0  0
   -2.5150    1.6300   -0.0010 O   0  0  0  0  0
    4.5660    1.2410   -0.0040 H   0  0  0  0  0
    3.9030   -0.1530    0.8830 H   0  0  0  0  0
    3.8980   -0.1460   -0.8970 H   0  0  0  0  0
    2.5760   -1.5550    0.0010 H   0  0  0  0  0
    0.5880   -3.0050    0.0010 H   0  0  0  0  0
   -0.0300    1.8460    0.0100 H   0  0  0  0  0
   -3.2230   -1.3760   -0.0010 H   0  0  0  0  0
   -4.2790   -0.0690   -0.0020 H   0  0  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  3  2  1  0  0  0
  3  8  2  0  0  0
  4  3  1  0  0  0
  4 15  1  0  0  0
  5  4  2  0  0  0
  5  6  1  0  0  0
  5 16  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7  9  1  0  0  0
  8 17  1  0  0  0
  9 10  1  0  0  0
 10 18  1  0  0  0
 10 19  1  0  0  0
 11  9  2  0  0  0
M  END
$$$$
