TDT2MOL 
CC(=O)C(Sc1nc(*)c(N)n1c2ccccc2)C(=O)C=O)C
 35 36  0  0  0  0              0      
   -4.0900   -1.3600   -0.1100 C   0  0  0  3  0  0
   -3.1900   -0.3000    0.4600 C   0  0  0  0  0  0
   -3.1200   -0.1300    1.6900 O   0  0  0  0  0  0
   -2.3700    0.5500   -0.4700 C   0  0  0  1  0  0
   -0.8000    0.9500    0.3100 S   0  0  0  0  0  0
    0.0800   -0.5600    0.7200 C   0  0  0  0  0  0
   -0.4800   -1.7000    1.3200 N   0  0  0  0  0  0
    0.5200   -2.6600    1.4600 C   0  0  0  0  0  0
    0.3700   -3.8900    2.0000 R   0  0  0  0  0  0
    1.7100   -2.1200    0.9500 C   0  0  0  0  0  0
    2.9500   -2.7700    0.9100 N   0  0  0  2  0  0
    1.4400   -0.8300    0.4900 N   0  0  0  0  0  0
    2.3800    0.0400   -0.0900 C   0  0  0  0  0  0
    2.4600    1.3700    0.3300 C   0  0  0  1  0  0
    3.4100    2.2200   -0.2500 C   0  0  0  1  0  0
    4.2600    1.7500   -1.2600 C   0  0  0  1  0  0
    4.1700    0.4200   -1.6800 C   0  0  0  1  0  0
    3.2300   -0.4400   -1.0900 C   0  0  0  1  0  0
   -3.1100    1.8200   -0.7800 C   0  0  0  0  0  0
   -2.9700    2.3700   -1.8900 O   0  0  0  0  0  0
   -4.0300    2.4200    0.2400 C   0  0  0  3  0  0
   -5.1200   -1.2000    0.2600 H   0  0  0  0  0  0
   -3.7400   -2.3500    0.2200 H   0  0  0  0  0  0
   -4.0800   -1.3100   -1.2100 H   0  0  0  0  0  0
   -2.1800    0.0000   -1.4000 H   0  0  0  0  0  0
    3.0500   -3.7000    1.2700 H   0  0  0  0  0  0
    3.7500   -2.3000    0.5300 H   0  0  0  0  0  0
    1.8000    1.7400    1.1200 H   0  0  0  0  0  0
    3.4700    3.2700    0.0800 H   0  0  0  0  0  0
    5.0000    2.4200   -1.7100 H   0  0  0  0  0  0
    4.8400    0.0400   -2.4700 H   0  0  0  0  0  0
    3.1600   -1.4900   -1.4300 H   0  0  0  0  0  0
   -5.0500    2.0200    0.1100 H   0  0  0  0  0  0
   -3.6700    2.1700    1.2500 H   0  0  0  0  0  0
   -4.0500    3.5100    0.1200 H   0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6 12  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 18  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
  4 19  1  0
 19 20  2  0
 19 21  1  0
 22  1  1  0
 23  1  1  0
 24  1  1  0
 25  4  1  0
 26 11  1  0
 27 11  1  0
 28 14  1  0
 29 15  1  0
 30 16  1  0
 31 17  1  0
 32 18  1  0
 33 21  1  0
 34 21  1  0
 35 21  1  0
M  END

$$$$