A1JBE
  CCTOOLS-0508261013

 32 32  0  0  0  0  0  0  0  0999 V2000
    1.5580   -1.3120    0.0000 C   0  0  0  0  0
    1.2210    1.0600    0.0010 C   0  0  0  0  0
    0.1910   -1.5090    0.0000 C   0  0  0  0  0
   -0.1470    0.8690    0.0000 C   0  0  0  0  0
    2.0730   -0.0290   -0.0000 C   0  0  0  0  0
   -0.6660   -0.4180    0.0000 C   0  0  0  0  0
   -4.2840    0.1550   -0.0000 C   0  0  0  0  0
    4.1710   -0.4590   -1.2500 C   0  0  0  0  0
    3.8670    1.6830   -0.0000 C   0  0  0  0  0
    4.1720   -0.4590    1.2490 C   0  0  0  0  0
   -2.8330    0.5600    0.0000 C   0  0  0  0  0
    3.5650    0.1830   -0.0000 C   0  0  0  0  0
   -5.2470    1.0970   -0.0000 N   0  0  0  0  0
   -4.5860   -1.0200   -0.0010 O   0  0  0  0  0
   -2.0110   -0.6090    0.0000 O   0  0  0  0  0
    2.2260   -2.1610    0.0040 H   0  0  0  0  0
    1.6260    2.0620    0.0000 H   0  0  0  0  0
   -0.2110   -2.5110   -0.0000 H   0  0  0  0  0
   -0.8120    1.7200    0.0010 H   0  0  0  0  0
    3.7390   -0.0020   -2.1390 H   0  0  0  0  0
    5.2500   -0.3060   -1.2500 H   0  0  0  0  0
    3.9560   -1.5280   -1.2500 H   0  0  0  0  0
    3.4350    2.1410    0.8900 H   0  0  0  0  0
    4.9460    1.8360   -0.0010 H   0  0  0  0  0
    3.4350    2.1410   -0.8900 H   0  0  0  0  0
    3.9560   -1.5280    1.2490 H   0  0  0  0  0
    5.2510   -0.3060    1.2490 H   0  0  0  0  0
    3.7400   -0.0020    2.1390 H   0  0  0  0  0
   -2.6210    1.1530   -0.8900 H   0  0  0  0  0
   -2.6210    1.1530    0.8900 H   0  0  0  0  0
   -5.0060    2.0370    0.0000 H   0  0  0  0  0
   -6.1820    0.8360   -0.0000 H   0  0  0  0  0
  1  3  2  0  0  0
  1  5  1  0  0  0
  1 16  1  0  0  0
  2  4  1  0  0  0
  2  5  2  0  0  0
  2 17  1  0  0  0
  3  6  1  0  0  0
  3 18  1  0  0  0
  4  6  2  0  0  0
  4 19  1  0  0  0
  5 12  1  0  0  0
  6 15  1  0  0  0
  7 11  1  0  0  0
  7 13  1  0  0  0
  7 14  2  0  0  0
  8 12  1  0  0  0
  8 20  1  0  0  0
  8 21  1  0  0  0
  8 22  1  0  0  0
  9 12  1  0  0  0
  9 23  1  0  0  0
  9 24  1  0  0  0
  9 25  1  0  0  0
 10 12  1  0  0  0
 10 26  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 11 15  1  0  0  0
 11 29  1  0  0  0
 11 30  1  0  0  0
 13 31  1  0  0  0
 13 32  1  0  0  0
M  END
$$$$
