TDT2MOL 
COc1nccc(*)c1C(=O)N(C(C)C)C(C)C(C)C
 37 37  0  0  0  0              0      
   -3.7300    1.9500    1.1900 C   0  0  0  3  0  0
   -2.4900    1.5000    0.8800 O   0  0  0  0  0  0
   -2.6100    0.3200    0.1300 C   0  0  0  0  0  0
   -3.8700   -0.2000   -0.1800 N   0  0  0  0  0  0
   -3.9800   -1.3800   -0.9300 C   0  0  0  1  0  0
   -2.8100   -2.0100   -1.3600 C   0  0  0  1  0  0
   -1.5400   -1.4900   -1.0500 C   0  0  0  0  0  0
   -0.4900   -2.1900   -1.5300 R   0  0  0  0  0  0
   -1.4200   -0.3200   -0.3100 C   0  0  0  0  0  0
   -0.1900    0.3900    0.1200 C   0  0  0  0  0  0
   -0.4200    1.4600    0.7900 O   0  0  0  0  0  0
    1.2100    0.1000   -0.1000 N   0  0  0  0  0  0
    2.1700    1.0400    0.4600 C   0  0  0  1  0  0
    2.0000    1.1000    1.9500 C   0  0  0  3  0  0
    1.9400    2.4000   -0.1300 C   0  0  0  3  0  0
    1.6500   -1.0700   -0.8300 C   0  0  0  1  0  0
    1.3300   -2.3100   -0.0500 C   0  0  0  3  0  0
    3.1200   -1.0200   -1.1300 C   0  0  0  3  0  0
   -4.2600    1.1900    1.7800 H   0  0  0  0  0  0
   -4.2900    2.1600    0.2700 H   0  0  0  0  0  0
   -3.6300    2.8700    1.7900 H   0  0  0  0  0  0
   -4.9600   -1.8000   -1.1700 H   0  0  0  0  0  0
   -2.8600   -2.9300   -1.9500 H   0  0  0  0  0  0
    3.1800    0.7000    0.2200 H   0  0  0  0  0  0
    2.7400    1.8000    2.3700 H   0  0  0  0  0  0
    0.9900    1.4500    2.2000 H   0  0  0  0  0  0
    2.1600    0.1000    2.3800 H   0  0  0  0  0  0
    2.6800    3.1100    0.2700 H   0  0  0  0  0  0
    0.9300    2.7600    0.1200 H   0  0  0  0  0  0
    2.0500    2.3500   -1.2200 H   0  0  0  0  0  0
    1.1000   -1.0600   -1.7900 H   0  0  0  0  0  0
    1.9800   -2.3700    0.8400 H   0  0  0  0  0  0
    0.2900   -2.3300    0.2900 H   0  0  0  0  0  0
    1.5300   -3.2000   -0.6800 H   0  0  0  0  0  0
    3.3700   -0.0700   -1.6100 H   0  0  0  0  0  0
    3.4000   -1.8500   -1.8200 H   0  0  0  0  0  0
    3.7200   -1.1500   -0.2200 H   0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  9  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 12 16  1  0
 16 17  1  0
 16 18  1  0
 19  1  1  0
 20  1  1  0
 21  1  1  0
 22  5  1  0
 23  6  1  0
 24 13  1  0
 25 14  1  0
 26 14  1  0
 27 14  1  0
 28 15  1  0
 29 15  1  0
 30 15  1  0
 31 16  1  0
 32 17  1  0
 33 17  1  0
 34 17  1  0
 35 18  1  0
 36 18  1  0
 37 18  1  0
M  END

$$$$