TDT2MOL 
CCOC(=O)c1cc(C2=NC(C)(C)CO2)c(C)nc1C
 40 41  0  0  0  0              0      
   -5.3900   -1.0900    1.1700 C   0  0  0  3  0  0
   -5.4200   -0.5300   -0.2200 C   0  0  0  2  0  0
   -4.3800    0.3000   -0.4000 O   0  0  0  0  0  0
   -3.2200   -0.3900   -0.3200 C   0  0  0  0  0  0
   -3.2500   -1.6400   -0.2600 O   0  0  0  0  0  0
   -1.9100    0.3300   -0.2800 C   0  0  0  0  0  0
   -0.7100   -0.3900   -0.1900 C   0  0  0  1  0  0
    0.5100    0.2900   -0.1500 C   0  0  0  0  0  0
    1.7800   -0.4700   -0.0600 C   0  0  0  0  0  0
    2.9200    0.1100   -0.0300 N   0  0  0  0  0  0
    3.9600   -0.9700    0.0700 C   0  0  0  0  0  0
    4.9300   -0.5700    1.1300 C   0  0  0  3  0  0
    4.6400   -1.0400   -1.2600 C   0  0  0  3  0  0
    3.1200   -2.1600    0.3900 C   0  0  0  2  0  0
    1.8400   -1.8300    0.0100 O   0  0  0  0  0  0
    0.5400    1.6900   -0.2200 C   0  0  0  0  0  0
    1.8500    2.4200   -0.1800 C   0  0  0  3  0  0
   -0.6600    2.4100   -0.3100 N   0  0  0  0  0  0
   -1.8800    1.7300   -0.3400 C   0  0  0  0  0  0
   -3.1600    2.5100   -0.4400 C   0  0  0  3  0  0
   -5.4400   -0.2600    1.9000 H   0  0  0  0  0  0
   -4.4600   -1.6600    1.3200 H   0  0  0  0  0  0
   -6.2500   -1.7600    1.3200 H   0  0  0  0  0  0
   -6.3600    0.0300   -0.3700 H   0  0  0  0  0  0
   -5.3900   -1.3600   -0.9500 H   0  0  0  0  0  0
   -0.7400   -1.4900   -0.1400 H   0  0  0  0  0  0
    5.7200   -1.3300    1.2100 H   0  0  0  0  0  0
    5.3900    0.4000    0.8700 H   0  0  0  0  0  0
    4.4200   -0.4800    2.1000 H   0  0  0  0  0  0
    5.4200   -1.8200   -1.2200 H   0  0  0  0  0  0
    3.9100   -1.3100   -2.0400 H   0  0  0  0  0  0
    5.1000   -0.0800   -1.5100 H   0  0  0  0  0  0
    3.4100   -3.0700   -0.1400 H   0  0  0  0  0  0
    3.0700   -2.3800    1.4700 H   0  0  0  0  0  0
    2.4300    2.0900    0.7000 H   0  0  0  0  0  0
    1.6700    3.5000   -0.1300 H   0  0  0  0  0  0
    2.4200    2.1900   -1.0900 H   0  0  0  0  0  0
   -3.7100    2.4300    0.5000 H   0  0  0  0  0  0
   -2.9300    3.5600   -0.6500 H   0  0  0  0  0  0
   -3.7700    2.1000   -1.2600 H   0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6 19  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 15  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
  8 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 21  1  1  0
 22  1  1  0
 23  1  1  0
 24  2  1  0
 25  2  1  0
 26  7  1  0
 27 12  1  0
 28 12  1  0
 29 12  1  0
 30 13  1  0
 31 13  1  0
 32 13  1  0
 33 14  1  0
 34 14  1  0
 35 17  1  0
 36 17  1  0
 37 17  1  0
 38 20  1  0
 39 20  1  0
 40 20  1  0
M  END

$$$$