TDT2MOL 
Cn1c2ccccc2n3c(=O)c4cccnc4c(C#N)c13
 31 34  0  0  0  0              0      
   -2.0000    2.0200    1.4100 C   0  0  0  3  0  0
   -1.4900    0.8800    0.6600 N   0  0  0  0  0  0
   -2.2400   -0.1400    0.0900 C   0  0  0  0  0  0
   -3.6200   -0.3500    0.0700 C   0  0  0  1  0  0
   -4.1200   -1.4800   -0.5900 C   0  0  0  1  0  0
   -3.2500   -2.3800   -1.2100 C   0  0  0  1  0  0
   -1.8700   -2.1600   -1.1900 C   0  0  0  1  0  0
   -1.3700   -1.0400   -0.5300 C   0  0  0  0  0  0
   -0.0800   -0.5700   -0.3500 N   0  0  0  0  0  0
    1.1500   -1.0800   -0.7600 C   0  0  0  0  0  0
    1.2200   -2.1300   -1.4200 O   0  0  0  0  0  0
    2.3200   -0.3800   -0.4200 C   0  0  0  0  0  0
    3.5700   -0.8800   -0.8300 C   0  0  0  1  0  0
    4.7400   -0.1900   -0.5000 C   0  0  0  1  0  0
    4.6700    0.9900    0.2400 C   0  0  0  1  0  0
    3.4300    1.4900    0.6500 N   0  0  0  0  0  0
    2.2500    0.8000    0.3200 C   0  0  0  0  0  0
    1.0100    1.3100    0.7300 C   0  0  0  0  0  0
    0.9400    2.5800    1.5200 C   0  0  0  0  0  0
    0.7200    3.5200    2.1500 N   0  0  0  0  0  0
   -0.1500    0.6100    0.3900 C   0  0  0  0  0  0
   -1.8000    2.9400    0.8500 H   0  0  0  0  0  0
   -3.0900    1.9000    1.5500 H   0  0  0  0  0  0
   -1.5000    2.0700    2.3900 H   0  0  0  0  0  0
   -4.3100    0.3500    0.5600 H   0  0  0  0  0  0
   -5.2100   -1.6600   -0.6100 H   0  0  0  0  0  0
   -3.6500   -3.2700   -1.7300 H   0  0  0  0  0  0
   -1.1900   -2.8700   -1.6800 H   0  0  0  0  0  0
    3.6200   -1.8100   -1.4100 H   0  0  0  0  0  0
    5.7100   -0.5900   -0.8200 H   0  0  0  0  0  0
    5.5900    1.5300    0.5000 H   0  0  0  0  0  0
  1  2  1  0
  2 21  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
  9 21  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 17  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  3  0
 18 21  2  0
 22  1  1  0
 23  1  1  0
 24  1  1  0
 25  4  1  0
 26  5  1  0
 27  6  1  0
 28  7  1  0
 29 13  1  0
 30 14  1  0
 31 15  1  0
M  END

$$$$