TDT2MOL 
CCSc1cc(C(=O)OC)c(c2ccccc2)c3sccc13
 38 40  0  0  0  0              0      
    5.5300    0.0200   -0.4200 C   0  0  0  3  0  0
    4.5600   -1.0400    0.0600 C   0  0  0  2  0  0
    3.5600   -0.3700    1.3800 S   0  0  0  0  0  0
    1.8500   -0.0400    0.9800 C   0  0  0  0  0  0
    1.1300   -0.9300    0.1700 C   0  0  0  1  0  0
   -0.2100   -0.6900   -0.1600 C   0  0  0  0  0  0
   -0.9600   -1.6400   -1.0200 C   0  0  0  0  0  0
   -2.1600   -1.4200   -1.3100 O   0  0  0  0  0  0
   -0.3700   -2.7500   -1.5100 O   0  0  0  0  0  0
   -1.3200   -3.6300   -1.8900 C   0  0  0  3  0  0
   -0.8400    0.4600    0.3300 C   0  0  0  0  0  0
   -2.2200    0.7400    0.0100 C   0  0  0  0  0  0
   -2.6700    0.6700   -1.3100 C   0  0  0  1  0  0
   -4.0100    0.9400   -1.6200 C   0  0  0  1  0  0
   -4.9000    1.2800   -0.6000 C   0  0  0  1  0  0
   -4.4600    1.3500    0.7300 C   0  0  0  1  0  0
   -3.1200    1.0800    1.0300 C   0  0  0  1  0  0
   -0.1200    1.3300    1.1300 C   0  0  0  0  0  0
   -0.5300    2.8000    1.9000 S   0  0  0  0  0  0
    0.9900    3.1200    2.6500 C   0  0  0  1  0  0
    1.8100    2.0600    2.2700 C   0  0  0  1  0  0
    1.2100    1.1100    1.4700 C   0  0  0  0  0  0
    6.1600    0.3500    0.4100 H   0  0  0  0  0  0
    6.1700   -0.4000   -1.2200 H   0  0  0  0  0  0
    4.9600    0.8700   -0.8200 H   0  0  0  0  0  0
    5.1500   -1.8900    0.4500 H   0  0  0  0  0  0
    3.9700   -1.4000   -0.7900 H   0  0  0  0  0  0
    1.6300   -1.8300   -0.2100 H   0  0  0  0  0  0
   -1.9500   -3.1900   -2.6700 H   0  0  0  0  0  0
   -1.9300   -3.9100   -1.0200 H   0  0  0  0  0  0
   -0.8300   -4.5400   -2.2900 H   0  0  0  0  0  0
   -1.9600    0.4000   -2.1100 H   0  0  0  0  0  0
   -4.3500    0.8800   -2.6600 H   0  0  0  0  0  0
   -5.9600    1.4900   -0.8400 H   0  0  0  0  0  0
   -5.1700    1.6200    1.5300 H   0  0  0  0  0  0
   -2.7800    1.1400    2.0800 H   0  0  0  0  0  0
    1.2700    3.9800    3.2800 H   0  0  0  0  0  0
    2.8700    1.9700    2.6000 H   0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4 22  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  6 11  2  0
 11 12  1  0
 12 17  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 11 18  1  0
 18 22  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 23  1  1  0
 24  1  1  0
 25  1  1  0
 26  2  1  0
 27  2  1  0
 28  5  1  0
 29 10  1  0
 30 10  1  0
 31 10  1  0
 32 13  1  0
 33 14  1  0
 34 15  1  0
 35 16  1  0
 36 17  1  0
 37 20  1  0
 38 21  1  0
M  END

$$$$