TDT2MOL 
COC(=O)CCc1cc(C)cn1C(=O)C
 30 30  0  0  0  0              0      
    4.8900   -1.4000   -0.0700 C   0  0  0  3  0  0
    4.0300   -0.3500   -0.0900 O   0  0  0  0  0  0
    2.7800   -0.7900    0.1300 C   0  0  0  0  0  0
    2.6000   -1.9500    0.5700 O   0  0  0  0  0  0
    1.6100    0.1000   -0.1400 C   0  0  0  2  0  0
    0.3500   -0.5300    0.3900 C   0  0  0  2  0  0
   -0.8200    0.3700    0.0900 C   0  0  0  0  0  0
   -0.7400    1.7300   -0.2400 C   0  0  0  1  0  0
   -2.0400    2.1900   -0.4500 C   0  0  0  0  0  0
   -2.4300    3.5900   -0.8200 C   0  0  0  3  0  0
   -2.9200    1.1200   -0.2500 C   0  0  0  1  0  0
   -2.1600   -0.0100    0.0800 N   0  0  0  0  0  0
   -2.6900   -1.3300    0.3700 C   0  0  0  0  0  0
   -3.9300   -1.5200    0.3300 O   0  0  0  0  0  0
   -1.7600   -2.4500    0.7300 C   0  0  0  3  0  0
    5.9100   -1.0400   -0.2500 H   0  0  0  0  0  0
    4.8400   -1.8800    0.9200 H   0  0  0  0  0  0
    4.6000   -2.1300   -0.8400 H   0  0  0  0  0  0
    1.7700    1.0800    0.3500 H   0  0  0  0  0  0
    1.5200    0.2500   -1.2300 H   0  0  0  0  0  0
    0.4400   -0.6600    1.4700 H   0  0  0  0  0  0
    0.2000   -1.5000   -0.1000 H   0  0  0  0  0  0
    0.1800    2.3200   -0.3200 H   0  0  0  0  0  0
   -1.6200    4.2800   -0.5500 H   0  0  0  0  0  0
   -3.3500    3.8800   -0.2800 H   0  0  0  0  0  0
   -2.6100    3.6500   -1.9000 H   0  0  0  0  0  0
   -4.0200    1.1600   -0.3300 H   0  0  0  0  0  0
   -0.9900   -2.0800    1.4100 H   0  0  0  0  0  0
   -2.3400   -3.2600    1.2100 H   0  0  0  0  0  0
   -1.2900   -2.8400   -0.1900 H   0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7 12  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 16  1  1  0
 17  1  1  0
 18  1  1  0
 19  5  1  0
 20  5  1  0
 21  6  1  0
 22  6  1  0
 23  8  1  0
 24 10  1  0
 25 10  1  0
 26 10  1  0
 27 11  1  0
 28 15  1  0
 29 15  1  0
 30 15  1  0
M  END

$$$$