
  TDT2MOL 
COC(=O)CCc1c[nH]c(CCC(=O)OC)c1
 34 34  0  0  0  0              0      
   -4.2300    1.4000    1.4000 C   0  0  0  3  0  0
   -3.3300    0.4400    1.0700 O   0  0  0  0  0  0
   -3.9500   -0.5200    0.3500 C   0  0  0  0  0  0
   -5.1000   -0.3200   -0.0900 O   0  0  0  0  0  0
   -3.2400   -1.8100    0.0700 C   0  0  0  2  0  0
   -2.4300   -1.6800   -1.1900 C   0  0  0  2  0  0
   -1.4200   -0.5900   -1.0200 C   0  0  0  0  0  0
   -1.7000    0.7800   -0.9300 C   0  0  0  1  0  0
   -0.4800    1.4600   -0.7800 N   0  0  0  1  0  0
    0.5500    0.5100   -0.7700 C   0  0  0  0  0  0
    2.0100    0.8100   -0.6400 C   0  0  0  2  0  0
    2.7200   -0.3800   -0.0700 C   0  0  0  2  0  0
    4.1800   -0.0800    0.0700 C   0  0  0  0  0  0
    4.7700    0.5900   -0.8000 O   0  0  0  0  0  0
    4.8700   -0.5200    1.1400 O   0  0  0  0  0  0
    5.9900    0.2400    1.2800 C   0  0  0  3  0  0
   -0.0300   -0.7500   -0.9200 C   0  0  0  1  0  0
   -5.0500    0.9600    1.9800 H   0  0  0  0  0  0
   -4.6400    1.8500    0.4800 H   0  0  0  0  0  0
   -3.7300    2.1800    1.9900 H   0  0  0  0  0  0
   -3.9800   -2.6100   -0.0600 H   0  0  0  0  0  0
   -2.5800   -2.0600    0.9100 H   0  0  0  0  0  0
   -1.9100   -2.6300   -1.3900 H   0  0  0  0  0  0
   -3.0900   -1.4400   -2.0300 H   0  0  0  0  0  0
   -2.6900    1.2400   -0.9700 H   0  0  0  0  0  0
   -0.3700    2.4500   -0.6900 H   0  0  0  0  0  0
    2.1400    1.6700    0.0400 H   0  0  0  0  0  0
    2.4300    1.0600   -1.6200 H   0  0  0  0  0  0
    2.3000   -0.6300    0.9100 H   0  0  0  0  0  0
    2.5900   -1.2400   -0.7500 H   0  0  0  0  0  0
    6.5600   -0.1200    2.1600 H   0  0  0  0  0  0
    5.7100    1.2900    1.4300 H   0  0  0  0  0  0
    6.6100    0.1400    0.3800 H   0  0  0  0  0  0
    0.5100   -1.7100   -0.9600 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 17  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 10 17  2  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 12  1  0
 30 12  1  0
 31 16  1  0
 32 16  1  0
 33 16  1  0
 34 17  1  0
M  END

$$$$
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