TDT2MOL 
CCOC(=O)Cc1c(C)[nH]cc1CCC(=O)O
 34 34  0  0  0  0              0      
   -4.7500    0.5500   -0.0100 C   0  0  0  3  0  0
   -4.0600   -0.6000   -0.7000 C   0  0  0  2  0  0
   -2.7800   -0.2600   -0.9600 O   0  0  0  0  0  0
   -2.1400    0.0000    0.2000 C   0  0  0  0  0  0
   -2.6200   -0.4500    1.2700 O   0  0  0  0  0  0
   -0.8800    0.8000    0.2200 C   0  0  0  2  0  0
    0.3000   -0.1000    0.0200 C   0  0  0  0  0  0
    0.3000   -1.5000    0.1000 C   0  0  0  0  0  0
   -0.8900   -2.3600    0.4100 C   0  0  0  3  0  0
    1.6000   -1.9600   -0.1500 N   0  0  0  1  0  0
    2.4100   -0.8400   -0.3900 C   0  0  0  1  0  0
    1.6100    0.3100   -0.2800 C   0  0  0  0  0  0
    2.0700    1.7200   -0.4600 C   0  0  0  2  0  0
    3.2600    1.9800    0.4000 C   0  0  0  2  0  0
    4.3800    1.0600    0.0000 C   0  0  0  0  0  0
    4.9300    1.1900   -1.1100 O   0  0  0  0  0  0
    4.7900    0.0900    0.8500 O   0  0  0  1  0  0
   -4.7200    1.4400   -0.6600 H   0  0  0  0  0  0
   -5.7900    0.2800    0.2000 H   0  0  0  0  0  0
   -4.2300    0.7700    0.9400 H   0  0  0  0  0  0
   -4.0900   -1.4800   -0.0500 H   0  0  0  0  0  0
   -4.5800   -0.8200   -1.6400 H   0  0  0  0  0  0
   -0.7800    1.3200    1.1800 H   0  0  0  0  0  0
   -0.9100    1.5400   -0.5900 H   0  0  0  0  0  0
   -0.5900   -3.4200    0.4200 H   0  0  0  0  0  0
   -1.6600   -2.2100   -0.3700 H   0  0  0  0  0  0
   -1.3100   -2.0800    1.3900 H   0  0  0  0  0  0
    1.9000   -2.9100   -0.1500 H   0  0  0  0  0  0
    3.4800   -0.8600   -0.6100 H   0  0  0  0  0  0
    1.2500    2.4100   -0.1800 H   0  0  0  0  0  0
    2.3300    1.8900   -1.5200 H   0  0  0  0  0  0
    3.0000    1.8000    1.4500 H   0  0  0  0  0  0
    3.5900    3.0200    0.2800 H   0  0  0  0  0  0
    5.5800   -0.3100    0.5000 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  1  0
  7 12  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 18  1  1  0
 19  1  1  0
 20  1  1  0
 21  2  1  0
 22  2  1  0
 23  6  1  0
 24  6  1  0
 25  9  1  0
 26  9  1  0
 27  9  1  0
 28 10  1  0
 29 11  1  0
 30 13  1  0
 31 13  1  0
 32 14  1  0
 33 14  1  0
 34 17  1  0
M  END

$$$$