
  TDT2MOL 
NC(CC(=O)O)c1cnc2ccccc2c1
 28 29  0  0  0  0              0      
    0.7900   -1.8100   -1.8200 N   0  0  0  2  0  0
   -0.2000   -0.7600   -1.8800 C   0  0  0  1  0  0
    0.2700    0.3300   -2.8000 C   0  0  0  2  0  0
    0.4700   -0.2300   -4.1800 C   0  0  0  0  0  0
    0.8900   -1.4000   -4.3300 O   0  0  0  0  0  0
    0.2000    0.5300   -5.2600 O   0  0  0  1  0  0
   -0.4300   -0.1900   -0.5100 C   0  0  0  0  0  0
   -1.3800    0.8100   -0.3300 C   0  0  0  1  0  0
   -1.6000    1.3500    0.9500 N   0  0  0  0  0  0
   -0.8600    0.8700    2.0400 C   0  0  0  0  0  0
   -1.0800    1.4100    3.3200 C   0  0  0  1  0  0
   -0.3400    0.9400    4.4100 C   0  0  0  1  0  0
    0.6200   -0.0700    4.2200 C   0  0  0  1  0  0
    0.8400   -0.6000    2.9500 C   0  0  0  1  0  0
    0.1000   -0.1300    1.8500 C   0  0  0  0  0  0
    0.3100   -0.6600    0.5800 C   0  0  0  1  0  0
    1.6600   -1.4300   -1.4800 H   0  0  0  0  0  0
    0.4800   -2.5300   -1.2000 H   0  0  0  0  0  0
   -1.1500   -1.1800   -2.2600 H   0  0  0  0  0  0
    1.2200    0.7400   -2.4300 H   0  0  0  0  0  0
   -0.4800    1.1300   -2.8400 H   0  0  0  0  0  0
    0.0900    1.4300   -4.9900 H   0  0  0  0  0  0
   -1.9600    1.1800   -1.1800 H   0  0  0  0  0  0
   -1.8300    2.2000    3.4600 H   0  0  0  0  0  0
   -0.5000    1.3600    5.4100 H   0  0  0  0  0  0
    1.2000   -0.4400    5.0800 H   0  0  0  0  0  0
    1.5900   -1.3900    2.8000 H   0  0  0  0  0  0
    1.0600   -1.4500    0.4300 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
  2  7  1  0
  7 16  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 15  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 17  1  1  0
 18  1  1  0
 19  2  1  0
 20  3  1  0
 21  3  1  0
 22  6  1  0
 23  8  1  0
 24 11  1  0
 25 12  1  0
 26 13  1  0
 27 14  1  0
 28 16  1  0
M  END

$$$$
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