TJLPAY0159
 OpenBabel09292510482D

 25 27  0  0  0  0  0  0  0  0999 V2000
  643.0100   45.6700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  650.5400   57.4500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  708.6000   65.2000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  694.3100   68.8000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  732.1800   71.6400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  718.2100   75.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  667.2400   76.6600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  633.0800   80.2600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  653.0500   79.8300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  690.8100   82.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  714.7200   89.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  700.7500   92.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  636.5700   93.8000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  697.2500  106.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  721.0500  113.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  707.1800  116.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  731.0900  123.3700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  703.5800  130.4700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  727.4800  136.9000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  713.6200  140.4000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  738.4000   57.5600    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  644.4300   69.1300    0.0000 N   0  3  0  0  0  3  0  0  0  0  0  0
  676.8500   89.1000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  724.3200   98.9300    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  682.7400  110.1700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  2  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  8 13  1  0  0  0  0
  8 22  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 12 14  1  0  0  0  0
 14 16  1  0  0  0  0
 14 25  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 24  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
M  CHG  1  22   1
M  END
>  <Formula>
C20N2O2S+

$$$$
