TDT2MOL 
CCOC(=O)C(=O)c1c(C)c2ccccc2n1S(=O)(=O)c3ccccc3
 43 45  0  0  0  0              0      
   -5.6600   -3.2900   -0.1400 C   0  0  0  3  0  0
   -4.9000   -2.0200   -0.3800 C   0  0  0  2  0  0
   -3.6200   -2.1800    0.0100 O   0  0  0  0  0  0
   -2.9400   -1.0300   -0.2100 C   0  0  0  0  0  0
   -3.4500   -0.1500   -0.9500 O   0  0  0  0  0  0
   -1.6000   -0.8400    0.4200 C   0  0  0  0  0  0
   -1.1500   -1.7600    1.1500 O   0  0  0  0  0  0
   -0.7800    0.4000    0.2300 C   0  0  0  0  0  0
   -1.0800    1.5400   -0.5300 C   0  0  0  0  0  0
   -2.3100    1.8100   -1.3400 C   0  0  0  3  0  0
   -0.0200    2.4300   -0.4100 C   0  0  0  0  0  0
    0.1800    3.7000   -0.9500 C   0  0  0  1  0  0
    1.3700    4.3800   -0.6600 C   0  0  0  1  0  0
    2.3400    3.8100    0.1700 C   0  0  0  1  0  0
    2.1300    2.5300    0.7200 C   0  0  0  1  0  0
    0.9500    1.8600    0.4200 C   0  0  0  0  0  0
    0.4900    0.6000    0.8200 N   0  0  0  0  0  0
    1.3400   -0.4600    1.8400 S   0  0  0  0  0  0
    1.7900    0.2700    3.0100 O   0  0  0  0  0  0
    0.5000   -1.5600    2.2400 O   0  0  0  0  0  0
    2.7800   -1.0800    0.9500 C   0  0  0  0  0  0
    3.0300   -0.6400   -0.3600 C   0  0  0  1  0  0
    4.1500   -1.1200   -1.0500 C   0  0  0  1  0  0
    5.0200   -2.0300   -0.4300 C   0  0  0  1  0  0
    4.7700   -2.4600    0.8700 C   0  0  0  1  0  0
    3.6500   -1.9900    1.5700 C   0  0  0  1  0  0
   -5.6400   -3.5300    0.9300 H   0  0  0  0  0  0
   -6.7000   -3.1600   -0.4600 H   0  0  0  0  0  0
   -5.2000   -4.1100   -0.7100 H   0  0  0  0  0  0
   -5.3600   -1.2000    0.1900 H   0  0  0  0  0  0
   -4.9300   -1.7800   -1.4600 H   0  0  0  0  0  0
   -2.4100    1.0600   -2.1400 H   0  0  0  0  0  0
   -2.2100    2.8100   -1.8100 H   0  0  0  0  0  0
   -3.2000    1.8100   -0.6900 H   0  0  0  0  0  0
   -0.5700    4.1600   -1.6100 H   0  0  0  0  0  0
    1.5400    5.3800   -1.0900 H   0  0  0  0  0  0
    3.2700    4.3500    0.3900 H   0  0  0  0  0  0
    2.8900    2.0800    1.3700 H   0  0  0  0  0  0
    2.3500    0.0700   -0.8400 H   0  0  0  0  0  0
    4.3500   -0.7800   -2.0800 H   0  0  0  0  0  0
    5.9000   -2.4100   -0.9800 H   0  0  0  0  0  0
    5.4500   -3.1800    1.3600 H   0  0  0  0  0  0
    3.4500   -2.3300    2.5900 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  7  2  0
  6  8  1  0
  8 17  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 16  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  2  0
 18 21  1  0
 21 26  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 27  1  1  0
 28  1  1  0
 29  1  1  0
 30  2  1  0
 31  2  1  0
 32 10  1  0
 33 10  1  0
 34 10  1  0
 35 12  1  0
 36 13  1  0
 37 14  1  0
 38 15  1  0
 39 22  1  0
 40 23  1  0
 41 24  1  0
 42 25  1  0
 43 26  1  0
M  END

$$$$