TJLPAY0027
 OpenBabel09292510482D

 55  4  0  0  0  0  0  0  0  0999 V2000
  747.0400  123.1200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  771.3800  123.5800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  860.9000  123.1200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  820.0600  123.5800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  759.4300  130.6300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  783.7800  130.2900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  807.3200  130.2900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  832.1200  130.6300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  866.9300  137.0000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  880.8100  140.4100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  723.8300  142.6900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  808.1200  144.8500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  832.1200  145.3000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  820.8600  152.3500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  732.4800  154.6300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  843.3800  154.2900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  881.6100  154.2900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  868.8700  159.8600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  711.0900  161.3400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  894.2300  161.3400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  661.6100  164.4100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  699.1500  169.9900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  650.4600  171.1200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  674.3500  171.4700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  439.5600  177.1500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  728.3800  179.3100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  426.8200  184.5500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  650.4600  185.3400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  674.3500  185.6800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  626.1200  186.4800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  638.0600  192.5100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  662.7400  192.8500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  602.1100  195.4700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  570.6000  196.6000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  616.6700  196.9500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  427.1600  198.4200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  557.1800  199.2200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  637.2600  206.7300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  580.0500  207.4100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  479.6000  210.4800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  503.9500  210.4800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  551.9500  213.4400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  467.6600  217.5400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  517.0300  218.3300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  598.7000  221.2900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  575.8400  221.2900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  617.4700  223.2200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  561.6200  224.3600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  587.1000  229.5900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  746.1300  108.7900    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  869.7800  111.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  858.3400  102.7400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  881.2100  120.0700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  878.4400   99.9600    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  861.1100  122.8400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
 51 52  2  0  0  0  0
 51 53  2  0  0  0  0
 51 54  1  0  0  0  0
 55 51  1  0  0  0  0
M  CHG  1  54  -1
M  END
>  <Formula>
C50O4S-

$$$$
TJLPAY0027
 OpenBabel09292510483D

 24  1  0  0  0  0  0  0  0  0999 V2000
  861.1100  122.8400    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
  842.5900  116.6400    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  795.0400  123.1200    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  723.8300  128.5800    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  709.9500  146.4400    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  858.8500  148.0300    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  788.4400  152.2400    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  686.5200  159.1800    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  434.4400  162.4800    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  723.6000  164.9800    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  595.7400  181.8200    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  700.0600  183.5200    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  478.8100  195.8100    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  414.4200  205.0200    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  593.7000  207.0700    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  622.1300  209.1200    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  458.2200  210.0300    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  538.1800  219.8100    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  491.5500  219.8100    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  515.7800  231.7500    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  779.5700  145.0700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  467.6600  231.9400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  503.9500  196.0800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  839.6600  168.2000    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  7 21  1  0  0  0  0
M  END
>  <Formula>
C3N12O8

$$$$
