TDT2MOL 
CCOC(=O)CCC(=O)CBr
 22 21  0  0  0  0              0      
    3.4700   -0.3300    1.6100 C   0  0  0  3  0  0
    2.8200   -0.1300    0.2700 C   0  0  0  2  0  0
    1.5100    0.1500    0.4500 O   0  0  0  0  0  0
    0.9300    0.3300   -0.7600 C   0  0  0  0  0  0
    1.5700    0.1000   -1.8000 O   0  0  0  0  0  0
   -0.4900    0.8100   -0.8400 C   0  0  0  2  0  0
   -1.4300   -0.3600   -0.7900 C   0  0  0  2  0  0
   -2.8400    0.1300   -0.8400 C   0  0  0  0  0  0
   -3.3000    0.6200   -1.9000 O   0  0  0  0  0  0
   -3.7200    0.0200    0.3700 C   0  0  0  2  0  0
   -3.7800   -1.7900    0.9400 Br  0  0  0  0  0  0
    3.3700    0.5800    2.2100 H   0  0  0  0  0  0
    4.5400   -0.5600    1.4700 H   0  0  0  0  0  0
    2.9800   -1.1700    2.1300 H   0  0  0  0  0  0
    2.9300   -1.0400   -0.3300 H   0  0  0  0  0  0
    3.3100    0.7100   -0.2400 H   0  0  0  0  0  0
   -0.7000    1.4800    0.0200 H   0  0  0  0  0  0
   -0.6400    1.3700   -1.7800 H   0  0  0  0  0  0
   -1.2700   -0.9200    0.1500 H   0  0  0  0  0  0
   -1.2300   -1.0200   -1.6500 H   0  0  0  0  0  0
   -3.3000    0.6400    1.1800 H   0  0  0  0  0  0
   -4.7300    0.3600    0.1300 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
  8  9  2  0
  8 10  1  0
 10 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  7  1  0
 21 10  1  0
 22 10  1  0
M  END

$$$$