TDT2MOL 
COC(=O)C1=C(C)NC(=C(C)C1c2ccccc2N(=O)=O)C
 40 41  0  0  0  0              0      
    2.2100   -3.7700   -0.1000 C   0  0  0  3  0  0
    2.1100   -2.5400    0.4400 O   0  0  0  0  0  0
    1.1100   -1.8700   -0.1600 C   0  0  0  0  0  0
    0.2400   -2.5100   -0.7900 O   0  0  0  0  0  0
    1.0500   -0.3700   -0.0700 C   0  0  0  0  0  0
    2.0200    0.2400    0.6400 C   0  0  0  0  0  0
    3.1000   -0.5900    1.2900 C   0  0  0  3  0  0
    2.0400    1.6800    0.7800 N   0  0  0  1  0  0
    1.0000    2.4600    0.1500 C   0  0  0  0  0  0
    0.0300    1.8500   -0.5600 C   0  0  0  0  0  0
   -1.0400    2.7100   -1.1900 C   0  0  0  3  0  0
   -0.0500    0.3700   -0.7500 C   0  0  0  1  0  0
   -1.3700   -0.1100   -0.2000 C   0  0  0  0  0  0
   -1.9000    0.5900    0.9000 C   0  0  0  1  0  0
   -3.1200    0.2000    1.4600 C   0  0  0  1  0  0
   -3.8200   -0.8800    0.9200 C   0  0  0  1  0  0
   -3.3000   -1.5700   -0.1800 C   0  0  0  1  0  0
   -2.0700   -1.1800   -0.7400 C   0  0  0  0  0  0
   -1.6100   -1.9200   -1.8400 N   0  0  0  0  0  0
   -0.4900   -1.6600   -2.4400 O   0  0  0  0  0  0
   -2.3400   -2.9100   -2.2700 O   0  0  0  0  0  0
    1.0000    3.9500    0.2900 C   0  0  0  3  0  0
    3.0300   -4.3200    0.3900 H   0  0  0  0  0  0
    1.2700   -4.3200    0.0500 H   0  0  0  0  0  0
    2.4300   -3.6900   -1.1800 H   0  0  0  0  0  0
    2.6400   -1.2400    2.0600 H   0  0  0  0  0  0
    3.8300    0.0800    1.7700 H   0  0  0  0  0  0
    3.6000   -1.2000    0.5300 H   0  0  0  0  0  0
    2.7600    2.1300    1.3100 H   0  0  0  0  0  0
   -0.6100    3.2100   -2.0800 H   0  0  0  0  0  0
   -1.3800    3.4500   -0.4700 H   0  0  0  0  0  0
   -1.8800    2.0700   -1.5000 H   0  0  0  0  0  0
   -0.0200    0.1700   -1.8300 H   0  0  0  0  0  0
   -1.3400    1.4300    1.3200 H   0  0  0  0  0  0
   -3.5300    0.7500    2.3300 H   0  0  0  0  0  0
   -4.7800   -1.1900    1.3500 H   0  0  0  0  0  0
   -3.8400   -2.4200   -0.6100 H   0  0  0  0  0  0
    1.8400    4.2500    0.9200 H   0  0  0  0  0  0
    1.1000    4.4100   -0.7100 H   0  0  0  0  0  0
    0.0500    4.2800    0.7500 H   0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5 12  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 18  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  2  0
  9 22  1  0
 23  1  1  0
 24  1  1  0
 25  1  1  0
 26  7  1  0
 27  7  1  0
 28  7  1  0
 29  8  1  0
 30 11  1  0
 31 11  1  0
 32 11  1  0
 33 12  1  0
 34 14  1  0
 35 15  1  0
 36 16  1  0
 37 17  1  0
 38 22  1  0
 39 22  1  0
 40 22  1  0
M  END

$$$$