TJL0112
 OpenBabel09292510182D

 95  4  0  0  0  0  0  0  0  0999 V2000
  224.1300   65.4900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  209.8900   66.1700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  427.8300   73.1200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  579.3600   72.4400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  631.4200   72.1000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  452.4400   73.1200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  500.2900   73.1200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  524.5600   73.1200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  205.6800   80.0700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  619.3400   79.0500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  252.6200   79.7300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  300.8100   80.0700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  324.7300   80.0700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  373.2600   80.0700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  416.3300   80.0700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  488.5600   80.4100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  565.9100   80.4100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  464.1800   80.4100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  537.0900   80.4100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  860.7500   84.2900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  885.1300   84.9700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  933.6700   84.9700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  974.2200   84.6300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  289.3000   87.0200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  240.7700   87.0200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  265.0300   87.0200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  337.6000   87.0200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  361.1900   86.6800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  217.1800   87.7100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  386.4800   88.0500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  873.9700   92.2600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  897.8900   92.2600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  921.8200   92.2600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  946.2000   91.9200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  565.9100   94.6500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  980.1500   98.4100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  994.0500  101.2600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  838.2000  104.0000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  921.4800  106.3900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  946.2000  106.7300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  934.3500  113.3400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  578.3300  116.1900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  846.1700  115.8400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  956.5700  115.8400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  995.0700  115.8400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  982.5400  121.3100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  825.4400  122.7900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1007.2600  122.7900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  776.7900  125.1900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  813.9300  131.4500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  764.7100  132.4800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  788.9800  132.4800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  566.2500  137.2600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  842.7500  140.7900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  553.7200  144.9000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  789.6600  147.0600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  765.0600  147.0600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  740.4500  148.4300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  752.8700  154.3500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  777.4700  154.3500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  717.5500  157.4300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  553.7200  158.8000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  686.2200  158.4500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  730.9900  158.8000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  672.4300  161.3000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  751.8400  168.2500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  694.9900  169.2800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  595.7600  172.0100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  619.6900  172.0100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  667.1900  175.0900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  583.9100  179.3000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  632.4500  179.9900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  713.3300  182.7200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  690.7800  182.7200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  732.4700  184.2000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  677.5600  185.5700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  701.9400  191.1500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  583.2300  193.8800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  595.7600  200.8300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  571.3800  201.1800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  230.5100   53.1900    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  427.6100   58.0800    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  500.1800   58.0800    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  577.8700   58.0800    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  607.1500   67.2000    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  403.8000   68.4500    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  553.7200   68.4500    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  476.1400   68.7900    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  276.2000   75.1700    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  861.1000   70.3900    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  989.0300   73.4600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  980.4000   62.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  997.6700   84.9200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 1000.4900   64.8300    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  977.5800   82.1000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
 91 92  2  0  0  0  0
 91 93  2  0  0  0  0
 91 94  1  0  0  0  0
 95 91  1  0  0  0  0
M  CHG  1  94  -1
M  END
>  <Formula>
C81N5O8S-

$$$$
TJL0112
 OpenBabel09292510183D

 39  3  0  0  0  0  0  0  0  0999 V2000
  977.5800   82.1000    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
  956.3400   78.1300    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  227.7800   79.3900    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  348.3100   79.1600    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  642.3600   78.8200    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  439.5700   84.2900    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  511.9100   84.0600    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  909.5100   84.4000    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  312.0900   86.7900    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  838.4200   90.1000    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  463.7200   94.3100    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  536.0600   94.3100    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  264.6900  101.0300    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  577.8700  100.9200    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  216.2700  101.3800    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  387.0500  101.7200    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  824.7500  107.9800    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  973.0900  110.0300    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  905.8700  113.0000    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  800.6000  121.3100    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  561.7000  122.4500    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  589.6100  122.7900    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  837.5100  127.1200    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  952.9200  128.8300    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  710.6000  143.8700    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  814.8400  145.3500    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  594.9600  157.0900    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  540.3900  165.4000    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  708.6600  168.0200    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  737.4900  170.9800    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  567.6200  172.0100    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  654.2100  181.0100    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  606.8100  182.9500    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  631.3100  193.2000    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  195.4900   66.1700    0.0000 S   0  0  0  0  0  1  0  0  0  0  0  0
  168.5900   66.1700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  654.8300   71.6200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  619.6900  157.6100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  893.4000  120.2000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  5 37  1  0  0  0  0
 19 39  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Formula>
C4N15O18S

$$$$
