TDT2MOL 
CCOC(=O)NC1CCCCC1=O
 28 28  0  0  0  0              0      
   -4.2700   -0.3400   -0.2200 C   0  0  0  3  0  0
   -3.7500    0.1900   -1.5200 C   0  0  0  2  0  0
   -2.6700    0.9600   -1.3100 O   0  0  0  0  0  0
   -1.6600    0.2100   -0.8200 C   0  0  0  0  0  0
   -1.7800   -1.0300   -0.7500 O   0  0  0  0  0  0
   -0.4300    0.8500   -0.3900 N   0  0  0  1  0  0
    0.6600    0.0400    0.1300 C   0  0  0  1  0  0
    1.8000    0.0000   -0.8400 C   0  0  0  2  0  0
    2.9600   -0.7300   -0.2400 C   0  0  0  2  0  0
    3.4500   -0.0200    0.9800 C   0  0  0  2  0  0
    2.3800    0.0200    2.0300 C   0  0  0  2  0  0
    1.1300    0.6300    1.4400 C   0  0  0  0  0  0
    0.5300    1.5600    1.9900 O   0  0  0  0  0  0
   -3.5000   -0.9500    0.2700 H   0  0  0  0  0  0
   -5.1700   -0.9600   -0.4000 H   0  0  0  0  0  0
   -4.5400    0.5000    0.4400 H   0  0  0  0  0  0
   -4.5400    0.8000   -2.0100 H   0  0  0  0  0  0
   -3.5000   -0.6500   -2.1900 H   0  0  0  0  0  0
   -0.3300    1.8400   -0.4500 H   0  0  0  0  0  0
    0.2900   -0.9800    0.3200 H   0  0  0  0  0  0
    1.4700   -0.5000   -1.7700 H   0  0  0  0  0  0
    2.1100    1.0300   -1.0800 H   0  0  0  0  0  0
    3.7800   -0.7900   -0.9800 H   0  0  0  0  0  0
    2.6500   -1.7500    0.0300 H   0  0  0  0  0  0
    4.3400   -0.5300    1.3900 H   0  0  0  0  0  0
    3.7400    1.0100    0.7100 H   0  0  0  0  0  0
    2.7000    0.6100    2.8900 H   0  0  0  0  0  0
    2.1400   -1.0100    2.3600 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  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 14  1  1  0
 15  1  1  0
 16  1  1  0
 17  2  1  0
 18  2  1  0
 19  6  1  0
 20  7  1  0
 21  8  1  0
 22  8  1  0
 23  9  1  0
 24  9  1  0
 25 10  1  0
 26 10  1  0
 27 11  1  0
 28 11  1  0
M  END

$$$$