TDT2MOL 
COC(OC)C1(C)C(=C(N)Oc2cc(C)oc(=O)c21)C#N
 37 38  0  0  0  0              0      
    3.3000    1.6700    1.1600 C   0  0  0  3  0  0
    2.6400    0.6000    0.6600 O   0  0  0  0  0  0
    1.3700    0.9400    0.3600 C   0  0  0  1  0  0
    1.3500    1.8800   -0.5800 O   0  0  0  0  0  0
    2.2300    1.7800   -1.5800 C   0  0  0  3  0  0
    0.6200   -0.2800   -0.0900 C   0  0  0  0  0  0
    1.2000   -0.7900   -1.3700 C   0  0  0  3  0  0
    0.7200   -1.3600    0.9600 C   0  0  0  0  0  0
   -0.2000   -2.3500    0.9700 C   0  0  0  0  0  0
   -0.1100   -3.3900    1.9800 N   0  0  0  2  0  0
   -1.2000   -2.3800    0.0700 O   0  0  0  0  0  0
   -1.7200   -1.1000   -0.1700 C   0  0  0  0  0  0
   -3.1000   -0.9200   -0.3100 C   0  0  0  1  0  0
   -3.6100    0.3600   -0.5500 C   0  0  0  0  0  0
   -5.0900    0.5600   -0.7100 C   0  0  0  3  0  0
   -2.7400    1.4500   -0.6500 O   0  0  0  0  0  0
   -1.3500    1.2700   -0.5000 C   0  0  0  0  0  0
   -0.6000    2.2600   -0.5900 O   0  0  0  0  0  0
   -0.8400    0.0000   -0.2600 C   0  0  0  0  0  0
    1.8300   -1.3300    1.9600 C   0  0  0  0  0  0
    2.7600   -1.2300    2.6400 N   0  0  0  0  0  0
    4.3500    1.3900    1.3400 H   0  0  0  0  0  0
    3.2700    2.5000    0.4400 H   0  0  0  0  0  0
    2.8400    1.9800    2.1000 H   0  0  0  0  0  0
    0.8800    1.3300    1.2700 H   0  0  0  0  0  0
    2.8100    0.8500   -1.5700 H   0  0  0  0  0  0
    2.9400    2.6300   -1.5300 H   0  0  0  0  0  0
    1.7000    1.8500   -2.5500 H   0  0  0  0  0  0
    2.2600   -1.0400   -1.2300 H   0  0  0  0  0  0
    0.6500   -1.6900   -1.7000 H   0  0  0  0  0  0
    1.1100   -0.0200   -2.1500 H   0  0  0  0  0  0
   -0.7900   -4.1200    2.0100 H   0  0  0  0  0  0
    0.6300   -3.3700    2.6500 H   0  0  0  0  0  0
   -3.7700   -1.7800   -0.2400 H   0  0  0  0  0  0
   -5.3500    0.5100   -1.7800 H   0  0  0  0  0  0
   -5.3700    1.5400   -0.3100 H   0  0  0  0  0  0
   -5.6200   -0.2300   -0.1700 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 19  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 19  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
  8 20  1  0
 20 21  3  0
 22  1  1  0
 23  1  1  0
 24  1  1  0
 25  3  1  0
 26  5  1  0
 27  5  1  0
 28  5  1  0
 29  7  1  0
 30  7  1  0
 31  7  1  0
 32 10  1  0
 33 10  1  0
 34 13  1  0
 35 15  1  0
 36 15  1  0
 37 15  1  0
M  END

$$$$