TDT2MOL 
COc1nc(OC)c2NC(=O)c3cccnc3N(C4CC4)c2n1
 38 41  0  0  0  0              0      
   -4.3800    2.1200    0.1900 C   0  0  0  3  0  0
   -3.1400    2.4000    0.6400 O   0  0  0  0  0  0
   -2.3000    1.3000    0.4000 C   0  0  0  0  0  0
   -2.7900    0.1500   -0.2000 N   0  0  0  0  0  0
   -1.9900   -0.9700   -0.4600 C   0  0  0  0  0  0
   -2.6400   -2.0100   -1.0900 O   0  0  0  0  0  0
   -1.9400   -3.0800   -1.4200 C   0  0  0  3  0  0
   -0.6300   -0.9300   -0.1000 C   0  0  0  0  0  0
    0.1200   -2.0000   -0.3200 N   0  0  0  1  0  0
    1.4000   -1.6500   -0.9500 C   0  0  0  0  0  0
    1.9000   -2.7400   -1.1200 O   0  0  0  0  0  0
    2.0300   -0.3700   -1.2700 C   0  0  0  0  0  0
    2.7200   -0.1200   -2.4700 C   0  0  0  1  0  0
    3.3200    1.1200   -2.6700 C   0  0  0  1  0  0
    3.2400    2.1300   -1.7000 C   0  0  0  1  0  0
    2.5500    1.8900   -0.5000 N   0  0  0  0  0  0
    1.9700    0.6500   -0.3000 C   0  0  0  0  0  0
    1.2200    0.3100    0.8600 N   0  0  0  0  0  0
    1.6600    0.6300    2.1600 C   0  0  0  1  0  0
    1.3000   -0.2700    3.2400 C   0  0  0  2  0  0
    0.6600    1.0300    3.1400 C   0  0  0  2  0  0
   -0.1500    0.2300    0.5200 C   0  0  0  0  0  0
   -0.9500    1.3400    0.7700 N   0  0  0  0  0  0
   -5.0400    2.9800    0.3800 H   0  0  0  0  0  0
   -4.3500    1.9100   -0.8900 H   0  0  0  0  0  0
   -4.7700    1.2300    0.7200 H   0  0  0  0  0  0
   -0.9700   -2.8100   -1.8600 H   0  0  0  0  0  0
   -2.5000   -3.6500   -2.2000 H   0  0  0  0  0  0
   -1.8100   -3.7600   -0.5700 H   0  0  0  0  0  0
   -0.0500   -2.9600   -0.1100 H   0  0  0  0  0  0
    2.7900   -0.9000   -3.2400 H   0  0  0  0  0  0
    3.8600    1.3200   -3.6100 H   0  0  0  0  0  0
    3.7100    3.1100   -1.8800 H   0  0  0  0  0  0
    2.6300    1.1100    2.2300 H   0  0  0  0  0  0
    0.7100   -1.1400    2.9900 H   0  0  0  0  0  0
    2.0200   -0.4200    4.0300 H   0  0  0  0  0  0
    0.9400    1.7700    3.8700 H   0  0  0  0  0  0
   -0.3700    1.0500    2.8300 H   0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3 23  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  2  0
  8 22  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 17  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 21  1  0
 19 20  1  0
 20 21  1  0
 18 22  1  0
 22 23  2  0
 24  1  1  0
 25  1  1  0
 26  1  1  0
 27  7  1  0
 28  7  1  0
 29  7  1  0
 30  9  1  0
 31 13  1  0
 32 14  1  0
 33 15  1  0
 34 19  1  0
 35 20  1  0
 36 20  1  0
 37 21  1  0
 38 21  1  0
M  END

$$$$