TDT2MOL 
CCOC(=O)C(c1nc(=O)ccs1)[n+]2ccccc2
 32 33  0  0  0  0              0      
   -0.3100    3.5000   -0.6700 C   0  0  0  3  0  0
   -1.4200    2.9900    0.2000 C   0  0  0  2  0  0
   -1.3400    1.6500    0.3100 O   0  0  0  0  0  0
   -0.2400    1.2900    0.9900 C   0  0  0  0  0  0
    0.5100    2.1700    1.4600 O   0  0  0  0  0  0
    0.0800   -0.1600    1.1900 C   0  0  0  1  0  0
   -1.0200   -1.0000    0.6400 C   0  0  0  0  0  0
   -2.0000   -0.4800   -0.1900 N   0  0  0  0  0  0
   -3.0500   -1.2100   -0.7400 C   0  0  0  0  0  0
   -3.8600   -0.5800   -1.4800 O   0  0  0  0  0  0
   -3.3000   -2.5800   -0.5600 C   0  0  0  1  0  0
   -2.5000   -3.4100    0.2300 C   0  0  0  1  0  0
   -1.1400   -2.6800    0.9900 S   0  0  0  0  0  0
    1.3400   -0.4800    0.5300 N   0  3  0  0  0  0
    1.9300   -1.7300    0.7400 C   0  0  0  1  0  0
    3.1400   -2.0400    0.1100 C   0  0  0  1  0  0
    3.7500   -1.1000   -0.7300 C   0  0  0  1  0  0
    3.1600    0.1500   -0.9400 C   0  0  0  1  0  0
    1.9500    0.4600   -0.3000 C   0  0  0  1  0  0
    0.6600    3.2500   -0.2200 H   0  0  0  0  0  0
   -0.3900    4.5900   -0.7700 H   0  0  0  0  0  0
   -0.3800    3.0400   -1.6700 H   0  0  0  0  0  0
   -1.3600    3.4600    1.1900 H   0  0  0  0  0  0
   -2.3900    3.2600   -0.2600 H   0  0  0  0  0  0
    0.1900   -0.3600    2.2800 H   0  0  0  0  0  0
   -4.1800   -3.0100   -1.0700 H   0  0  0  0  0  0
   -2.7200   -4.4700    0.3500 H   0  0  0  0  0  0
    1.4500   -2.4600    1.4000 H   0  0  0  0  0  0
    3.6100   -3.0200    0.2700 H   0  0  0  0  0  0
    4.7000   -1.3500   -1.2300 H   0  0  0  0  0  0
    3.6400    0.8800   -1.6000 H   0  0  0  0  0  0
    1.4800    1.4400   -0.4700 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  7  1  0
  7 13  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
  6 14  1  0
 14 19  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 20  1  1  0
 21  1  1  0
 22  1  1  0
 23  2  1  0
 24  2  1  0
 25  6  1  0
 26 11  1  0
 27 12  1  0
 28 15  1  0
 29 16  1  0
 30 17  1  0
 31 18  1  0
 32 19  1  0
M  END

$$$$