TDT2MOL 
COC(=O)C1=C(C2C=CC=CN2C(=C(S*)S1)*)C(=O)OCO)OCO)OC
 33 34  0  0  0  0              0      
    4.2100    2.1400   -0.4200 C   0  0  0  3  0  0
    3.2300    1.5300   -1.1200 O   0  0  0  0  0  0
    2.0700    1.6100   -0.4000 C   0  0  0  0  0  0
    1.9200    2.6600    0.2300 O   0  0  0  0  0  0
    1.2100    0.4000   -0.5200 C   0  0  0  0  0  0
    0.0400    0.1600    0.0700 C   0  0  0  0  0  0
   -1.0500   -0.8600    0.1800 C   0  0  0  1  0  0
   -1.6100   -1.1800    1.5100 C   0  0  0  1  0  0
   -2.2200   -2.3700    1.7600 C   0  0  0  1  0  0
   -2.3000   -3.4600    0.7400 C   0  0  0  1  0  0
   -1.6600   -3.2600   -0.4300 C   0  0  0  1  0  0
   -1.0100   -2.0600   -0.7000 N   0  0  0  0  0  0
   -0.1400   -1.7100   -1.7000 C   0  0  0  0  0  0
    0.6200   -1.3500   -2.6500 C   0  0  0  0  0  0
    0.5300   -1.2900   -4.3900 S   0  0  0  0  0  0
    0.8800    0.1600   -4.9600 R   0  0  0  0  0  0
    2.1600   -0.7500   -1.7300 S   0  0  0  0  0  0
    0.9000   -1.4200   -0.5800 R   0  0  0  0  0  0
   -0.4200    1.3400    0.9600 C   0  0  0  0  0  0
    0.2500    2.3400    1.1700 O   0  0  0  0  0  0
   -1.6600    1.2600    1.4600 O   0  0  0  0  0  0
   -2.0900    2.4800    1.8400 C   0  0  0  3  0  0
    3.9400    3.1900   -0.2500 H   0  0  0  0  0  0
    4.3400    1.6400    0.5500 H   0  0  0  0  0  0
    5.1500    2.0900   -0.9800 H   0  0  0  0  0  0
   -1.9200   -0.3100   -0.3300 H   0  0  0  0  0  0
   -1.5800   -0.4800    2.3600 H   0  0  0  0  0  0
   -2.6400   -2.5200    2.7600 H   0  0  0  0  0  0
   -2.8400   -4.3900    0.9400 H   0  0  0  0  0  0
   -1.6700   -4.0600   -1.1900 H   0  0  0  0  0  0
   -3.1300    2.4100    2.1900 H   0  0  0  0  0  0
   -2.0500    3.1800    0.9900 H   0  0  0  0  0  0
   -1.4600    2.8600    2.6500 H   0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5 17  1  0
  5  6  2  0
  6  7  1  0
  7 12  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 13 18  1  0
  6 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 23  1  1  0
 24  1  1  0
 25  1  1  0
 26  7  1  0
 27  8  1  0
 28  9  1  0
 29 10  1  0
 30 11  1  0
 31 22  1  0
 32 22  1  0
 33 22  1  0
M  END

$$$$