TDT2MOL 
NCc1[nH]cc(CCC(=O)O)c1CC(=O)O
 30 30  0  0  0  0              0      
   -2.9700    2.4600   -0.8200 N   0  0  0  2  0  0
   -2.6200    1.0600   -0.6700 C   0  0  0  2  0  0
   -1.3200    0.9400    0.0600 C   0  0  0  0  0  0
   -0.7300    1.9400    0.8500 N   0  0  0  1  0  0
    0.4700    1.4300    1.3600 C   0  0  0  1  0  0
    0.6200    0.1200    0.8800 C   0  0  0  0  0  0
    1.7700   -0.8000    1.1800 C   0  0  0  2  0  0
    2.7000   -0.8300    0.0000 C   0  0  0  2  0  0
    3.2100    0.5500   -0.2800 C   0  0  0  0  0  0
    2.5400    1.3300   -0.9800 O   0  0  0  0  0  0
    4.3900    0.9500    0.2300 O   0  0  0  1  0  0
   -0.4900   -0.1800    0.0800 C   0  0  0  0  0  0
   -0.7500   -1.4700   -0.6300 C   0  0  0  2  0  0
   -1.8500   -2.2100    0.0600 C   0  0  0  0  0  0
   -2.3100   -1.7800    1.1500 O   0  0  0  0  0  0
   -2.3600   -3.3400   -0.4800 O   0  0  0  1  0  0
   -2.2500    2.9400   -1.3200 H   0  0  0  0  0  0
   -3.8400    2.5400   -1.3100 H   0  0  0  0  0  0
   -2.5200    0.6100   -1.6700 H   0  0  0  0  0  0
   -3.4100    0.5400   -0.1100 H   0  0  0  0  0  0
   -1.1000    2.8500    1.0300 H   0  0  0  0  0  0
    1.1800    1.9600    2.0200 H   0  0  0  0  0  0
    2.3100   -0.4300    2.0600 H   0  0  0  0  0  0
    1.3900   -1.8100    1.3800 H   0  0  0  0  0  0
    3.5500   -1.5000    0.2200 H   0  0  0  0  0  0
    2.1600   -1.2100   -0.8800 H   0  0  0  0  0  0
    5.0300    0.2400    0.1600 H   0  0  0  0  0  0
    0.1600   -2.0900   -0.6200 H   0  0  0  0  0  0
   -1.0400   -1.2700   -1.6700 H   0  0  0  0  0  0
   -1.9100   -3.5300   -1.2900 H   0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3 12  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  6 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 17  1  1  0
 18  1  1  0
 19  2  1  0
 20  2  1  0
 21  4  1  0
 22  5  1  0
 23  7  1  0
 24  7  1  0
 25  8  1  0
 26  8  1  0
 27 11  1  0
 28 13  1  0
 29 13  1  0
 30 16  1  0
M  END

$$$$