TDT2MOL 
Cn1c2ccccc2n3c(=O)c4cnccc4c(C#N)c13
 31 34  0  0  0  0              0      
   -1.3400    0.5200    2.6700 C   0  0  0  3  0  0
   -1.1500    0.2000    1.2700 N   0  0  0  0  0  0
   -2.1500   -0.1300    0.3500 C   0  0  0  0  0  0
   -3.5300   -0.2400    0.5100 C   0  0  0  1  0  0
   -4.3100   -0.5900   -0.6000 C   0  0  0  1  0  0
   -3.7100   -0.8400   -1.8400 C   0  0  0  1  0  0
   -2.3200   -0.7300   -1.9900 C   0  0  0  1  0  0
   -1.5500   -0.3800   -0.8900 C   0  0  0  0  0  0
   -0.1800   -0.2000   -0.7400 N   0  0  0  0  0  0
    0.8700   -0.3100   -1.6500 C   0  0  0  0  0  0
    0.6600   -0.6300   -2.8400 O   0  0  0  0  0  0
    2.1800   -0.0700   -1.2100 C   0  0  0  0  0  0
    3.2400   -0.1800   -2.1200 C   0  0  0  1  0  0
    4.5500    0.0600   -1.6900 N   0  0  0  0  0  0
    4.8000    0.4200   -0.3600 C   0  0  0  1  0  0
    3.7400    0.5300    0.5400 C   0  0  0  1  0  0
    2.4300    0.2900    0.1200 C   0  0  0  0  0  0
    1.3700    0.4000    1.0300 C   0  0  0  0  0  0
    1.6400    0.7800    2.4500 C   0  0  0  0  0  0
    1.6500    0.9400    3.5900 N   0  0  0  0  0  0
    0.0700    0.1600    0.5900 C   0  0  0  0  0  0
   -0.8900    1.5000    2.8900 H   0  0  0  0  0  0
   -2.4200    0.5600    2.8900 H   0  0  0  0  0  0
   -0.8700   -0.2500    3.2900 H   0  0  0  0  0  0
   -4.0000   -0.0500    1.4800 H   0  0  0  0  0  0
   -5.4000   -0.6800   -0.4900 H   0  0  0  0  0  0
   -4.3400   -1.1100   -2.7000 H   0  0  0  0  0  0
   -1.8600   -0.9200   -2.9600 H   0  0  0  0  0  0
    3.0500   -0.4600   -3.1700 H   0  0  0  0  0  0
    5.8300    0.6100   -0.0200 H   0  0  0  0  0  0
    3.9300    0.8100    1.5900 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 15  1  0
 31 16  1  0
M  END

$$$$