TDT2MOL 
COC(OC)C1(C)C(=C(N)Oc2c1c(=O)oc3ccccc23)C#N
 40 42  0  0  0  0              0      
    3.9300   -0.6500   -0.8100 C   0  0  0  3  0  0
    3.2300   -0.0100    0.1400 O   0  0  0  0  0  0
    2.0800    0.5500   -0.2200 C   0  0  0  1  0  0
    2.1700    1.8800    0.0600 O   0  0  0  0  0  0
    3.1500    2.4300   -0.6900 C   0  0  0  3  0  0
    0.9600   -0.0400    0.6000 C   0  0  0  0  0  0
    1.2000    0.2100    2.0600 C   0  0  0  3  0  0
    0.9200   -1.5300    0.3600 C   0  0  0  0  0  0
   -0.2200   -2.2000    0.6000 C   0  0  0  0  0  0
   -0.2600   -3.6400    0.3700 N   0  0  0  2  0  0
   -1.3200   -1.5700    1.0600 O   0  0  0  0  0  0
   -1.5000   -0.3200    0.4500 C   0  0  0  0  0  0
   -0.3800    0.5000    0.2000 C   0  0  0  0  0  0
   -0.5600    1.7400   -0.4000 C   0  0  0  0  0  0
    0.4100    2.4900   -0.6300 O   0  0  0  0  0  0
   -1.8500    2.1800   -0.7400 O   0  0  0  0  0  0
   -2.9600    1.3600   -0.4900 C   0  0  0  0  0  0
   -4.2400    1.8000   -0.8400 C   0  0  0  1  0  0
   -5.3500    0.9800   -0.5900 C   0  0  0  1  0  0
   -5.1700   -0.2700    0.0100 C   0  0  0  1  0  0
   -3.8900   -0.7100    0.3600 C   0  0  0  1  0  0
   -2.7800    0.1100    0.1100 C   0  0  0  0  0  0
    2.1400   -2.2400   -0.1400 C   0  0  0  0  0  0
    3.1300   -2.8100   -0.2900 N   0  0  0  0  0  0
    3.2500   -1.2000   -1.4800 H   0  0  0  0  0  0
    4.6300   -1.3600   -0.3500 H   0  0  0  0  0  0
    4.5000    0.0800   -1.4100 H   0  0  0  0  0  0
    1.8300    0.4400   -1.2800 H   0  0  0  0  0  0
    4.1100    1.9500   -0.4500 H   0  0  0  0  0  0
    2.9300    2.2800   -1.7600 H   0  0  0  0  0  0
    3.2200    3.5100   -0.4800 H   0  0  0  0  0  0
    1.2300    1.3000    2.2400 H   0  0  0  0  0  0
    0.4000   -0.2400    2.6600 H   0  0  0  0  0  0
    2.1700   -0.2200    2.3500 H   0  0  0  0  0  0
   -1.1000   -4.1500    0.5400 H   0  0  0  0  0  0
    0.5500   -4.1100    0.0300 H   0  0  0  0  0  0
   -4.3800    2.7800   -1.3100 H   0  0  0  0  0  0
   -6.3600    1.3200   -0.8600 H   0  0  0  0  0  0
   -6.0400   -0.9200    0.2100 H   0  0  0  0  0  0
   -3.7500   -1.6900    0.8300 H   0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6 13  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 22  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 22  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
  8 23  1  0
 23 24  3  0
 25  1  1  0
 26  1  1  0
 27  1  1  0
 28  3  1  0
 29  5  1  0
 30  5  1  0
 31  5  1  0
 32  7  1  0
 33  7  1  0
 34  7  1  0
 35 10  1  0
 36 10  1  0
 37 18  1  0
 38 19  1  0
 39 20  1  0
 40 21  1  0
M  END

$$$$