TJLPAY0044
 OpenBabel09292510482D

 52  4  0  0  0  0  0  0  0  0999 V2000
  438.4400  173.1200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  439.2400  187.1800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  415.2000  187.5200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  489.5800  190.4700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  402.6100  194.2100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  451.4800  194.2100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  476.2000  196.0300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  514.6400  196.8200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  500.5800  199.3100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  402.9500  208.9500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  521.3300  209.2900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  474.3900  210.0800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  498.4200  213.3700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  667.1400  214.5100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  691.8600  214.5100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  740.7300  214.5100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  777.6900  215.6400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  485.8400  218.9300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  679.7300  221.5400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  704.1000  221.5400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  728.1400  221.2000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  752.9700  221.2000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  783.5900  228.5700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  646.3900  233.4400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  511.3500  234.4600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  752.9700  235.6000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  728.4800  235.6000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  566.4500  236.7300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  580.8500  236.7300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  537.2000  238.5400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  523.9300  242.9700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  740.7300  242.6300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  763.6300  244.1000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  652.6300  245.9100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  559.4200  248.9800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  545.7000  249.6600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  588.3400  249.3200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  630.0600  249.3200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  617.1400  255.2100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  538.3300  261.1100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  566.7900  261.1100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  581.3100  261.4500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  512.4800  265.9800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  644.5800  269.6100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  414.2900  172.6700    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  464.7500  182.7600    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  385.9400  187.1800    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  789.0300  201.9200    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  777.9700  192.7800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  800.0900  211.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  798.1700  190.8600    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  779.8900  212.9800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
 48 49  2  0  0  0  0
 48 50  2  0  0  0  0
 48 51  1  0  0  0  0
 52 48  1  0  0  0  0
M  CHG  1  51  -1
M  END
>  <Formula>
C45N2O4S-

$$$$
TJLPAY0044
 OpenBabel09292510483D

 23  5  0  0  0  0  0  0  0  0999 V2000
  779.8900  212.9800    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
  426.6500  198.4100    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  666.9100  199.7700    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  763.6300  208.3800    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  450.9100  208.2700    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  715.7800  213.8300    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  792.8900  218.9300    0.0000 H   0  0  0  0  0 15  0  0  0  0  0  0
  510.4400  219.1600    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  648.5500  220.9700    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  631.4200  234.9200    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  498.7600  240.8100    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  601.6000  245.4600    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  776.7800  240.9300    0.0000 N   0  0  0  0  0  1  0  0  0  0  0  0
  708.5300  242.6300    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  641.7400  255.5500    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  523.9300  256.9100    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  760.1200  257.4800    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  615.4400  269.0500    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  695.1500  231.4000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  784.1000  253.0000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  798.2000  253.0000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  805.0000  240.9300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  797.6900  228.5700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
 13 20  1  0  0  0  0
 14 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Formula>
C5N9O7

$$$$
