TDT2MOL 
CC12CC(=O)NC2NC(=C1)c3ccccc3O
 31 33  0  0  0  0              0      
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   -2.0900   -0.2700   -0.2400 C   0  0  0  0  0  0
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    0.2900   -0.1400    0.1100 C   0  0  0  0  0  0
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    2.4600    0.3600    1.1600 C   0  0  0  1  0  0
    3.8600    0.3800    1.2500 C   0  0  0  1  0  0
    4.6300   -0.1800    0.2400 C   0  0  0  1  0  0
    3.9700   -0.7400   -0.8500 C   0  0  0  1  0  0
    2.5600   -0.7600   -0.9500 C   0  0  0  0  0  0
    2.1400   -1.3700   -2.1300 O   0  0  0  1  0  0
   -2.7900   -2.1500   -0.9800 H   0  0  0  0  0  0
   -2.2100   -2.1800    0.7200 H   0  0  0  0  0  0
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   -2.3500    0.8500   -2.1200 H   0  0  0  0  0  0
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   -0.6100   -1.1000   -1.6700 H   0  0  0  0  0  0
    1.9100    0.8200    1.9900 H   0  0  0  0  0  0
    4.3300    0.8300    2.1400 H   0  0  0  0  0  0
    5.7300   -0.1800    0.2900 H   0  0  0  0  0  0
    4.5400   -1.2000   -1.6800 H   0  0  0  0  0  0
    1.2200   -1.4100   -2.2500 H   0  0  0  0  0  0
  1  2  1  0
  2 10  1  0
  2  7  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  1  0
  9 10  2  0
  9 11  1  0
 11 16  1  0
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 12 13  1  0
 13 14  2  0
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 15 16  2  0
 16 17  1  0
 18  1  1  0
 19  1  1  0
 20  1  1  0
 21  3  1  0
 22  3  1  0
 23  6  1  0
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 25  8  1  0
 26 10  1  0
 27 12  1  0
 28 13  1  0
 29 14  1  0
 30 15  1  0
 31 17  1  0
M  END

$$$$