TDT2MOL 
CC(C)(C)C(=O)Nc1cnccn1
 26 26  0  0  0  0              0      
   -2.2300   -1.5500    0.7000 C   0  0  0  3  0  0
   -1.9000   -0.3200   -0.0800 C   0  0  0  0  0  0
   -2.6100   -0.3700   -1.4100 C   0  0  0  3  0  0
   -2.3400    0.8900    0.6800 C   0  0  0  3  0  0
   -0.4200   -0.2700   -0.3300 C   0  0  0  0  0  0
    0.0400   -0.8400   -1.3500 O   0  0  0  0  0  0
    0.4800    0.4200    0.5700 N   0  0  0  1  0  0
    1.8500    0.4500    0.3000 C   0  0  0  0  0  0
    2.7300    1.1100    1.1700 C   0  0  0  1  0  0
    4.1000    1.1300    0.8900 N   0  0  0  0  0  0
    4.5900    0.4900   -0.2500 C   0  0  0  1  0  0
    3.7200   -0.1700   -1.1200 C   0  0  0  1  0  0
    2.3500   -0.1900   -0.8400 N   0  0  0  0  0  0
   -1.7000   -1.5200    1.6700 H   0  0  0  0  0  0
   -1.9100   -2.4500    0.1400 H   0  0  0  0  0  0
   -3.3100   -1.6000    0.8800 H   0  0  0  0  0  0
   -3.7000   -0.4100   -1.2300 H   0  0  0  0  0  0
   -2.3000   -1.2700   -1.9600 H   0  0  0  0  0  0
   -2.3700    0.5300   -1.9900 H   0  0  0  0  0  0
   -3.4300    0.8600    0.8200 H   0  0  0  0  0  0
   -2.0700    1.8000    0.1100 H   0  0  0  0  0  0
   -1.8400    0.9200    1.6600 H   0  0  0  0  0  0
    0.1300    0.8800    1.3900 H   0  0  0  0  0  0
    2.3400    1.6100    2.0700 H   0  0  0  0  0  0
    5.6700    0.5100   -0.4700 H   0  0  0  0  0  0
    4.1100   -0.6700   -2.0200 H   0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8 13  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 14  1  1  0
 15  1  1  0
 16  1  1  0
 17  3  1  0
 18  3  1  0
 19  3  1  0
 20  4  1  0
 21  4  1  0
 22  4  1  0
 23  7  1  0
 24  9  1  0
 25 11  1  0
 26 12  1  0
M  END

$$$$