TJLPAY0029
 OpenBabel09292510482D

 48  4  0  0  0  0  0  0  0  0999 V2000
  560.0800  205.9700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  546.7000  211.5300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  585.1400  212.3200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  571.0800  214.8200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  591.8300  224.8000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  544.8900  225.5900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  568.9200  228.8800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  737.6400  230.0100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  762.3600  230.0100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  811.2300  230.0100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  848.1900  231.1500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  556.3400  234.4300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  750.2300  237.0400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  774.6000  237.0400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  798.6400  236.7000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  823.4700  236.7000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  854.0900  244.0700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  868.1500  245.8900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  716.8900  248.9500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  581.8500  249.9700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  823.4700  251.1000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  798.9800  251.1000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  636.9500  252.2400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  651.3500  252.2400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  607.7000  254.0500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  594.4300  258.4700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  811.2300  258.1300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  834.1300  259.6100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  870.4200  259.6100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  723.1300  261.4200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  629.9200  264.4800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  616.2000  265.1600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  658.8400  264.8200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  700.5600  264.8200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  883.0000  265.9500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  858.1700  266.2900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  687.6400  270.7200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  608.8300  276.6100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  637.2900  276.6100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  651.8100  276.9500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  582.9800  281.4900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  715.0800  285.1200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  535.2500  198.2600    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  859.5300  217.4300    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  848.4700  208.2800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  870.5900  226.5700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  868.6700  206.3600    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  850.3900  228.4900    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
 44 45  2  0  0  0  0
 44 46  2  0  0  0  0
 44 47  1  0  0  0  0
 48 44  1  0  0  0  0
M  CHG  1  47  -1
M  END
>  <Formula>
C43NO3S-

$$$$
TJLPAY0029
 OpenBabel09292510483D

 17  1  0  0  0  0  0  0  0  0999 V2000
  850.3900  228.4900    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
  737.4100  215.2700    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  834.1300  223.8900    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  786.2800  229.3300    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  863.3900  234.4300    0.0000 H   0  0  0  0  0 15  0  0  0  0  0  0
  580.9400  234.6600    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  719.0500  236.4700    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  701.9200  250.4200    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  569.2600  256.3200    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  672.1000  260.9700    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  847.2800  256.4300    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  779.0300  258.1300    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  712.2400  271.0600    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  594.4300  272.4200    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  830.6200  272.9800    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  685.9400  284.5500    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  765.6500  246.9100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Formula>
CN8O6

$$$$
