TJL0176
 OpenBabel09292510182D

101  4  0  0  0  0  0  0  0  0999 V2000
  523.2700  102.3800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  537.1700  104.8200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  637.8000  104.8200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  516.7100  114.5000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  563.7400  119.3900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  613.8900  119.3900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  638.1300  119.3900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  687.9500  119.3900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  525.7100  124.9500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  551.6200  126.6200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  575.8600  126.2800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  601.1000  126.2800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  650.2500  126.2800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  675.1600  126.2800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  700.0700  126.2800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  675.1600  141.1800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  700.4000  140.8500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  601.1000  141.5200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  687.6100  148.0800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  712.5200  148.0800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  428.5300  160.5300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  442.3200  165.0900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  765.1100  165.4200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  725.6400  166.0900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  789.6900  165.4200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  417.8600  169.8700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  777.2300  172.3200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  814.2600  171.9800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  444.7600  178.8800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  470.3400  180.2100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  631.5700  182.3200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  656.4800  182.3200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  705.9600  182.3200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  823.9400  182.3200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  525.3800  183.3200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  420.5200  184.1000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  539.9500  183.3200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  743.3200  183.7700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  495.6900  184.4400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  862.3000  185.1000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  846.7300  187.5500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  434.0900  188.5500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  482.1300  188.5500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  644.0200  189.5500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  668.9300  189.5500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  693.5000  189.5500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  718.4100  189.2200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  504.2500  195.7800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  518.4900  195.7800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  547.1700  196.2200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  749.8800  196.8900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  764.1100  198.5600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  454.1000  200.0000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  604.9900  201.0000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  440.3200  201.6700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  693.8400  204.1200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  718.4100  204.1200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  496.0200  207.2300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  525.7100  208.2300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  539.9500  208.2300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  568.3000  207.9000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  583.2000  208.2300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  470.0100  211.3500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  705.9600  211.0100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  766.4500  212.7900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  729.0900  212.4600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  604.9900  215.5700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  779.2400  218.6800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  753.6600  219.3500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  586.6500  233.5800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  337.9000   91.7000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  512.9300   91.7000    0.0000 S   0  0  0  0  0 15  0  0  0  0  0  0
  547.4000   95.7000    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  613.1100  105.0400    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  588.6500  116.2800    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  662.3700  116.2800    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  538.8300  119.5000    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  625.3400  130.0600    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  522.1600  139.2900    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  575.4200  141.5200    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  650.1400  141.1800    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  736.2000  157.0800    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  712.1900  162.7500    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  396.7300  165.8700    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  470.8900  165.7600    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  631.0100  167.3100    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  751.9900  172.8700    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  799.4700  175.1000    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  837.6100  179.2100    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  729.0900  180.6600    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  680.3800  182.2100    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  457.2200  185.9900    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  759.5600  186.3300    0.0000 H   0  0  0  0  0 15  0  0  0  0  0  0
  779.6800  186.1100    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  794.0300  188.4400    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  615.1100  189.5500    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  884.0900  195.6700    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  890.3500  182.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  877.8300  208.5800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  897.0100  201.9300    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  871.1800  189.4100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
 97 98  2  0  0  0  0
 97 99  2  0  0  0  0
 97100  1  0  0  0  0
101 97  1  0  0  0  0
M  END
>  <Formula>
C72N10O16S2

$$$$
TJL0176
 OpenBabel09292510183D

 11  1  0  0  0  0  0  0  0  0999 V2000
  871.1800  189.4100    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
  564.5200  196.0000    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  590.7600  196.2200    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  481.7900  203.2300    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  743.1000  209.6800    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  673.2700  211.3500    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  590.7600  219.9100    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  560.6300  221.1300    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  725.6400  227.1300    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  389.3200  174.3500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  671.1100  222.3800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Formula>
C2N5O3

$$$$
