TDT2MOL 
CCOC(=O)CC(Br)C(=O)C
 22 21  0  0  0  0              0      
   -0.4100    0.5500    3.3900 C   0  0  0  3  0  0
    0.5100   -0.5800    3.0200 C   0  0  0  2  0  0
    0.1100   -1.1200    1.8600 O   0  0  0  0  0  0
    0.2600   -0.2400    0.8500 C   0  0  0  0  0  0
    0.8100    0.8600    1.0800 O   0  0  0  0  0  0
   -0.2200   -0.5800   -0.5300 C   0  0  0  2  0  0
    0.6600    0.0900   -1.5500 C   0  0  0  1  0  0
    2.4600   -0.5000   -1.3300 Br  0  0  0  0  0  0
    0.2000   -0.2600   -2.9300 C   0  0  0  0  0  0
    0.7100   -1.2200   -3.5400 O   0  0  0  0  0  0
   -0.8900    0.5500   -3.5800 C   0  0  0  3  0  0
   -0.3800    1.3200    2.6200 H   0  0  0  0  0  0
   -1.4400    0.1700    3.4800 H   0  0  0  0  0  0
   -0.1000    0.9800    4.3500 H   0  0  0  0  0  0
    1.5400   -0.2000    2.9500 H   0  0  0  0  0  0
    0.4700   -1.3500    3.8100 H   0  0  0  0  0  0
   -0.1800   -1.6700   -0.6800 H   0  0  0  0  0  0
   -1.2500   -0.2300   -0.6500 H   0  0  0  0  0  0
    0.6200    1.1800   -1.4100 H   0  0  0  0  0  0
   -1.8600    0.3000   -3.1200 H   0  0  0  0  0  0
   -0.6900    1.6200   -3.4400 H   0  0  0  0  0  0
   -0.9200    0.3200   -4.6600 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  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
 12  1  1  0
 13  1  1  0
 14  1  1  0
 15  2  1  0
 16  2  1  0
 17  6  1  0
 18  6  1  0
 19  7  1  0
 20 11  1  0
 21 11  1  0
 22 11  1  0
M  END

$$$$