TDT2MOL 
COc1cncnc1N
 16 16  0  0  0  0              0      
   -2.3400   -0.4600    0.2400 C   0  0  0  3  0  0
   -1.4700    0.4400   -0.2700 O   0  0  0  0  0  0
   -0.1500    0.0400   -0.0200 C   0  0  0  0  0  0
    0.1300   -1.1500    0.6700 C   0  0  0  1  0  0
    1.4600   -1.5200    0.9000 N   0  0  0  0  0  0
    2.5100   -0.7100    0.4400 C   0  0  0  1  0  0
    2.2300    0.4700   -0.2500 N   0  0  0  0  0  0
    0.9000    0.8500   -0.4800 C   0  0  0  0  0  0
    0.6100    2.0300   -1.1700 N   0  0  0  2  0  0
   -2.1900   -1.4400   -0.2300 H   0  0  0  0  0  0
   -3.3700   -0.1100    0.0300 H   0  0  0  0  0  0
   -2.2000   -0.5300    1.3300 H   0  0  0  0  0  0
   -0.6800   -1.7900    1.0300 H   0  0  0  0  0  0
    3.5500   -1.0100    0.6200 H   0  0  0  0  0  0
    1.3500    2.6100   -1.5000 H   0  0  0  0  0  0
   -0.3400    2.2900   -1.3300 H   0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  8  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
 10  1  1  0
 11  1  1  0
 12  1  1  0
 13  4  1  0
 14  6  1  0
 15  9  1  0
 16  9  1  0
M  END

$$$$