
  TDT2MOL 
O=CC1CCCCNC1
 22 22  0  0  0  0              0      
   -3.3000   -0.3700    1.2500 O   0  0  0  0  0  0
   -2.6000   -0.6200    0.2600 C   0  0  0  1  0  0
   -1.1200   -0.2400    0.2700 C   0  0  0  1  0  0
   -0.2800   -1.1300   -0.5800 C   0  0  0  2  0  0
    1.1000   -1.3600   -0.0400 C   0  0  0  2  0  0
    1.6400   -0.1500    0.6800 C   0  0  0  2  0  0
    1.6100    1.0800   -0.1600 C   0  0  0  2  0  0
    0.3400    1.6100   -0.4500 N   0  0  0  1  0  0
   -0.9600    1.2200   -0.0800 C   0  0  0  2  0  0
   -3.0100   -1.1100   -0.6300 H   0  0  0  0  0  0
   -0.8600   -0.4000    1.3500 H   0  0  0  0  0  0
   -0.2400   -0.7200   -1.6200 H   0  0  0  0  0  0
   -0.7700   -2.1300   -0.7500 H   0  0  0  0  0  0
    1.1200   -2.2000    0.6900 H   0  0  0  0  0  0
    1.8000   -1.6600   -0.8400 H   0  0  0  0  0  0
    2.6800   -0.3800    1.0200 H   0  0  0  0  0  0
    1.0500    0.0500    1.5900 H   0  0  0  0  0  0
    2.2300    1.8700    0.3400 H   0  0  0  0  0  0
    2.1500    0.8600   -1.1200 H   0  0  0  0  0  0
    0.3900    2.5000   -0.9200 H   0  0  0  0  0  0
   -1.3500    1.8700    0.7300 H   0  0  0  0  0  0
   -1.6300    1.4300   -0.9600 H   0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  9  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
 10  2  1  0
 11  3  1  0
 12  4  1  0
 13  4  1  0
 14  5  1  0
 15  5  1  0
 16  6  1  0
 17  6  1  0
 18  7  1  0
 19  7  1  0
 20  8  1  0
 21  9  1  0
 22  9  1  0
M  END

$$$$
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