TDT2MOL 
COC(=O)CCc1c[nH]c(C)c1CC(=OC)O
 35 35  0  0  0  0              0      
    5.1300   -0.5800    0.2200 C   0  0  0  3  0  0
    4.6100    0.0900   -0.8300 O   0  0  0  0  0  0
    3.5200    0.7800   -0.4200 C   0  0  0  0  0  0
    3.3900    1.0400    0.8000 O   0  0  0  0  0  0
    2.4900    1.2400   -1.4000 C   0  0  0  2  0  0
    1.5100    0.1300   -1.6600 C   0  0  0  2  0  0
    0.8100   -0.2300   -0.3800 C   0  0  0  0  0  0
    1.4100   -0.6300    0.8200 C   0  0  0  1  0  0
    0.4000   -0.8700    1.7500 N   0  0  0  1  0  0
   -0.8300   -0.6100    1.1300 C   0  0  0  0  0  0
   -2.1800   -0.7400    1.7800 C   0  0  0  3  0  0
   -0.5800   -0.2200   -0.1900 C   0  0  0  0  0  0
   -1.5900    0.1600   -1.2200 C   0  0  0  2  0  0
   -2.9000    0.4800   -0.5600 C   0  0  0  0  0  0
   -3.8600   -0.3100   -0.6800 O   0  0  0  0  0  0
   -5.0500   -0.0400   -0.0900 C   0  0  0  3  0  0
   -3.0400    1.6200    0.1500 O   0  0  0  1  0  0
    5.4200    0.1300    1.0100 H   0  0  0  0  0  0
    6.0100   -1.1400   -0.1100 H   0  0  0  0  0  0
    4.3800   -1.2800    0.6200 H   0  0  0  0  0  0
    1.9600    2.1200   -1.0100 H   0  0  0  0  0  0
    2.9900    1.5100   -2.3500 H   0  0  0  0  0  0
    0.7600    0.4600   -2.4000 H   0  0  0  0  0  0
    2.0400   -0.7500   -2.0500 H   0  0  0  0  0  0
    2.4900   -0.7400    0.9900 H   0  0  0  0  0  0
    0.5300   -1.1600    2.7000 H   0  0  0  0  0  0
   -2.1800   -1.6100    2.4500 H   0  0  0  0  0  0
   -2.4000    0.1700    2.3600 H   0  0  0  0  0  0
   -2.9400   -0.8800    1.0000 H   0  0  0  0  0  0
   -1.2400    1.0400   -1.7800 H   0  0  0  0  0  0
   -1.7300   -0.6800   -1.9200 H   0  0  0  0  0  0
   -5.7100   -0.9100   -0.1700 H   0  0  0  0  0  0
   -4.8800    0.2000    0.9700 H   0  0  0  0  0  0
   -5.5100    0.8300   -0.5800 H   0  0  0  0  0  0
   -3.2500    1.4100    1.0500 H   0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7 12  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 14 17  1  0
 18  1  1  0
 19  1  1  0
 20  1  1  0
 21  5  1  0
 22  5  1  0
 23  6  1  0
 24  6  1  0
 25  8  1  0
 26  9  1  0
 27 11  1  0
 28 11  1  0
 29 11  1  0
 30 13  1  0
 31 13  1  0
 32 16  1  0
 33 16  1  0
 34 16  1  0
 35 17  1  0
M  END

$$$$