TDT2MOL 
CCOC(=O)c1c[nH]cc(C(=O)OCC)c1=O
 30 30  0  0  0  0              0      
    4.5400   -1.3700   -0.5100 C   0  0  0  3  0  0
    4.5900   -0.7500    0.8600 C   0  0  0  2  0  0
    3.6200    0.2000    0.9500 O   0  0  0  0  0  0
    2.4200   -0.3800    0.7700 C   0  0  0  0  0  0
    2.3000   -1.6100    0.9800 O   0  0  0  0  0  0
    1.2400    0.4300    0.3200 C   0  0  0  0  0  0
    1.3800    1.8000    0.0800 C   0  0  0  1  0  0
    0.2800    2.5600   -0.3400 N   0  0  0  1  0  0
   -0.9600    1.9400   -0.5300 C   0  0  0  1  0  0
   -1.1000    0.5700   -0.3000 C   0  0  0  0  0  0
   -2.4200   -0.1000   -0.5000 C   0  0  0  0  0  0
   -2.5500   -1.3300   -0.2900 O   0  0  0  0  0  0
   -3.4900    0.6100   -0.9200 O   0  0  0  0  0  0
   -4.6100   -0.1400   -0.8300 C   0  0  0  2  0  0
   -4.8800   -0.4900    0.6100 C   0  0  0  3  0  0
    0.0000   -0.1900    0.1200 C   0  0  0  0  0  0
   -0.1200   -1.4100    0.3300 O   0  0  0  0  0  0
    3.5600   -1.8400   -0.6700 H   0  0  0  0  0  0
    5.3300   -2.1300   -0.5900 H   0  0  0  0  0  0
    4.7100   -0.5900   -1.2700 H   0  0  0  0  0  0
    5.5700   -0.2800    1.0100 H   0  0  0  0  0  0
    4.4200   -1.5200    1.6200 H   0  0  0  0  0  0
    2.3600    2.2900    0.2300 H   0  0  0  0  0  0
    0.3800    3.5400   -0.5100 H   0  0  0  0  0  0
   -1.8200    2.5300   -0.8600 H   0  0  0  0  0  0
   -5.4600    0.4300   -1.2300 H   0  0  0  0  0  0
   -4.4900   -1.0700   -1.4100 H   0  0  0  0  0  0
   -5.0100    0.4400    1.1900 H   0  0  0  0  0  0
   -4.0300   -1.0500    1.0200 H   0  0  0  0  0  0
   -5.7900   -1.1000    0.6800 H   0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6 16  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 10 16  1  0
 16 17  2  0
 18  1  1  0
 19  1  1  0
 20  1  1  0
 21  2  1  0
 22  2  1  0
 23  7  1  0
 24  8  1  0
 25  9  1  0
 26 14  1  0
 27 14  1  0
 28 15  1  0
 29 15  1  0
 30 15  1  0
M  END

$$$$