A1I3N
  CCTOOLS-0116261006

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.5200    0.7180   -0.0110 C   0  0  0  0  0
   -0.7140    1.2180    0.0120 C   0  0  0  0  0
   -2.0920    1.2060    0.0140 C   0  0  0  0  0
   -2.7780   -0.0010    0.0150 C   0  0  0  0  0
   -2.0790   -1.2010    0.0140 C   0  0  0  0  0
   -0.7000   -1.1970    0.0110 C   0  0  0  0  0
   -0.0070    0.0140    0.0100 C   0  0  0  0  0
    1.4710    0.0230    0.0020 C   0  0  0  0  0
    2.2760   -1.0790   -0.0060 N   0  0  0  0  0
    3.5700   -0.6290   -0.0090 C   0  0  0  0  0
    2.2350    1.0930   -0.0040 N   0  0  0  0  0
   -4.1360   -0.0090    0.0180 O   0  0  0  0  0
    4.3710    1.3820   -0.0140 H   0  0  0  0  0
   -0.1810    2.1580    0.0070 H   0  0  0  0  0
   -2.6400    2.1370    0.0150 H   0  0  0  0  0
   -2.6150   -2.1380    0.0160 H   0  0  0  0  0
   -0.1570   -2.1310    0.0110 H   0  0  0  0  0
    1.9870   -2.0050   -0.0070 H   0  0  0  0  0
    4.4620   -1.2380   -0.0090 H   0  0  0  0  0
   -4.5310   -0.0110   -0.8650 H   0  0  0  0  0
  1 10  2  0  0  0
  1 13  1  0  0  0
  2  7  2  0  0  0
  2 14  1  0  0  0
  3  4  2  0  0  0
  3  2  1  0  0  0
  3 15  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 16  1  0  0  0
  6 17  1  0  0  0
  7  6  1  0  0  0
  7  8  1  0  0  0
  8 11  2  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 18  1  0  0  0
 10 19  1  0  0  0
 11  1  1  0  0  0
 12  4  1  0  0  0
 12 20  1  0  0  0
M  END
$$$$
