A1ES0
  CCTOOLS-0612260951

 26 27  0  0  0  0  0  0  0  0999 V2000
    3.7110   -0.5770    0.0020 C   0  0  0  0  0
    4.0590    0.7690   -0.0040 C   0  0  0  0  0
    3.0770    1.7420   -0.0070 C   0  0  0  0  0
    1.7450    1.3850   -0.0030 C   0  0  0  0  0
    1.3830    0.0340    0.0030 C   0  0  0  0  0
   -2.1700    0.2290    0.0020 C   0  0  0  0  0
   -3.1640    1.2120    0.0050 C   0  0  0  0  0
   -4.4930    0.8440    0.0030 C   0  0  0  0  0
   -4.8440   -0.4950   -0.0020 C   0  0  0  0  0
   -3.8650   -1.4740   -0.0050 C   0  0  0  0  0
   -2.5320   -1.1210   -0.0080 C   0  0  0  0  0
    2.3760   -0.9480    0.0000 C   0  0  0  0  0
    0.0640   -0.3230    0.0020 N   0  0  0  0  0
   -0.8510    0.5870    0.0040 N   0  0  0  0  0
    4.7080   -1.5560    0.0040 N   0  0  0  0  0
    5.1000    1.0550   -0.0070 H   0  0  0  0  0
    3.3540    2.7860   -0.0110 H   0  0  0  0  0
    0.9810    2.1480   -0.0040 H   0  0  0  0  0
   -2.8910    2.2570    0.0100 H   0  0  0  0  0
   -5.2620    1.6020    0.0050 H   0  0  0  0  0
   -5.8860   -0.7770    0.0010 H   0  0  0  0  0
   -4.1460   -2.5160   -0.0080 H   0  0  0  0  0
   -1.7690   -1.8850   -0.0100 H   0  0  0  0  0
    2.1030   -1.9930    0.0050 H   0  0  0  0  0
    5.6420   -1.2970    0.0020 H   0  0  0  0  0
    4.4650   -2.4950    0.0090 H   0  0  0  0  0
  1 15  1  0  0  0
  1  2  2  0  0  0
  2 16  1  0  0  0
  3  2  1  0  0  0
  3 17  1  0  0  0
  4  3  2  0  0  0
  4 18  1  0  0  0
  5 12  2  0  0  0
  5  4  1  0  0  0
  6 14  1  0  0  0
  7  6  1  0  0  0
  7 19  1  0  0  0
  8  7  2  0  0  0
  8 20  1  0  0  0
  9 10  2  0  0  0
  9  8  1  0  0  0
  9 21  1  0  0  0
 10 11  1  0  0  0
 10 22  1  0  0  0
 11  6  2  0  0  0
 11 23  1  0  0  0
 12  1  1  0  0  0
 12 24  1  0  0  0
 13  5  1  0  0  0
 14 13  2  0  0  0
 15 25  1  0  0  0
 15 26  1  0  0  0
M  END
$$$$
