TDT2MOL 
Nc1s[n+](nc1C(=O)*)c2ccccc2ccc2
 22 23  0  0  0  0              0      
    3.9000    0.9800    0.9200 N   0  0  0  2  0  0
    2.6600    0.4900    0.5400 C   0  0  0  0  0  0
    1.1000    1.2200    0.7300 S   0  0  0  0  0  0
    0.2000    0.1100    0.0800 N   0  3  0  0  0  0
    1.0000   -0.8800   -0.3200 N   0  0  0  0  0  0
    2.3400   -0.7200   -0.0900 C   0  0  0  0  0  0
    3.3800   -1.7500   -0.4800 C   0  0  0  0  0  0
    4.5700   -1.5100   -0.2300 O   0  0  0  0  0  0
    2.9900   -2.9400   -1.1000 R   0  0  0  0  0  0
   -1.1900    0.1600   -0.0500 C   0  0  0  0  0  0
   -1.9300   -1.0100   -0.2700 C   0  0  0  1  0  0
   -3.3200   -0.9300   -0.3900 C   0  0  0  1  0  0
   -3.9700    0.3000   -0.3000 C   0  0  0  1  0  0
   -3.2300    1.4700   -0.0800 C   0  0  0  1  0  0
   -1.8300    1.4000    0.0400 C   0  0  0  1  0  0
    3.9600    1.8800    1.3600 H   0  0  0  0  0  0
    4.7300    0.4500    0.7500 H   0  0  0  0  0  0
   -1.4200   -1.9800   -0.3400 H   0  0  0  0  0  0
   -3.9100   -1.8500   -0.5600 H   0  0  0  0  0  0
   -5.0600    0.3600   -0.4000 H   0  0  0  0  0  0
   -3.7300    2.4400   -0.0100 H   0  0  0  0  0  0
   -1.2500    2.3100    0.2100 H   0  0  0  0  0  0
  1  2  1  0
  2  6  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  4 10  1  0
 10 15  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 16  1  1  0
 17  1  1  0
 18 11  1  0
 19 12  1  0
 20 13  1  0
 21 14  1  0
 22 15  1  0
M  END

$$$$