TDT2MOL 
COc1ccc(cc1)c2cnc(N)c(Cc3ccccc3)n2
 39 41  0  0  0  0              0      
    6.7200   -1.8100   -0.1400 C   0  0  0  3  0  0
    6.3400   -0.7300   -0.8500 O   0  0  0  0  0  0
    5.0200   -0.3800   -0.5500 C   0  0  0  0  0  0
    4.4400    0.7200   -1.1900 C   0  0  0  1  0  0
    3.1200    1.0900   -0.9100 C   0  0  0  1  0  0
    2.3700    0.3600    0.0200 C   0  0  0  0  0  0
    2.9500   -0.7400    0.6700 C   0  0  0  1  0  0
    4.2700   -1.1100    0.3900 C   0  0  0  1  0  0
    1.0100    0.7400    0.3200 C   0  0  0  0  0  0
    0.6800    1.2600    1.5800 C   0  0  0  1  0  0
   -0.6400    1.6200    1.8700 N   0  0  0  0  0  0
   -1.6300    1.4600    0.9000 C   0  0  0  0  0  0
   -2.9600    1.8200    1.1800 N   0  0  0  2  0  0
   -1.3100    0.9300   -0.3600 C   0  0  0  0  0  0
   -2.3800    0.7600   -1.3900 C   0  0  0  2  0  0
   -3.5600    0.0700   -0.7700 C   0  0  0  0  0  0
   -4.8600    0.5700   -0.9700 C   0  0  0  1  0  0
   -5.9500   -0.0700   -0.3800 C   0  0  0  1  0  0
   -5.7600   -1.2100    0.4100 C   0  0  0  1  0  0
   -4.4700   -1.7100    0.6100 C   0  0  0  1  0  0
   -3.3700   -1.0700    0.0200 C   0  0  0  1  0  0
    0.0100    0.5700   -0.6500 N   0  0  0  0  0  0
    7.7600   -2.0600   -0.4000 H   0  0  0  0  0  0
    6.6700   -1.5900    0.9400 H   0  0  0  0  0  0
    6.0800   -2.6600   -0.3800 H   0  0  0  0  0  0
    5.0300    1.2900   -1.9300 H   0  0  0  0  0  0
    2.6700    1.9500   -1.4200 H   0  0  0  0  0  0
    2.3700   -1.3100    1.4100 H   0  0  0  0  0  0
    4.7100   -1.9700    0.9100 H   0  0  0  0  0  0
    1.4700    1.3900    2.3400 H   0  0  0  0  0  0
   -3.6700    1.7000    0.4900 H   0  0  0  0  0  0
   -3.1900    2.2000    2.0800 H   0  0  0  0  0  0
   -2.6900    1.7400   -1.7700 H   0  0  0  0  0  0
   -2.0000    0.1500   -2.2200 H   0  0  0  0  0  0
   -5.0100    1.4700   -1.5900 H   0  0  0  0  0  0
   -6.9700    0.3200   -0.5400 H   0  0  0  0  0  0
   -6.6200   -1.7100    0.8700 H   0  0  0  0  0  0
   -4.3100   -2.6000    1.2300 H   0  0  0  0  0  0
   -2.3500   -1.4600    0.1800 H   0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  8  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 22  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 21  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 14 22  2  0
 23  1  1  0
 24  1  1  0
 25  1  1  0
 26  4  1  0
 27  5  1  0
 28  7  1  0
 29  8  1  0
 30 10  1  0
 31 13  1  0
 32 13  1  0
 33 15  1  0
 34 15  1  0
 35 17  1  0
 36 18  1  0
 37 19  1  0
 38 20  1  0
 39 21  1  0
M  END

$$$$