TJL0123
 OpenBabel09292510182D

 92  4  0  0  0  0  0  0  0  0999 V2000
  358.8700  225.6000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  344.6500  225.9400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  635.7400  232.6600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  715.1400  232.3100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  766.7900  232.3100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  563.4000  232.6600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  587.4000  233.0000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  659.7400  233.0000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  754.8400  238.6800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  339.4200  239.8200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  386.6200  239.8200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  434.9700  239.8200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  459.3100  239.8200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  508.0000  239.8200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  551.4500  239.8200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  599.3400  240.1600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  624.1400  240.1600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  672.4800  240.1600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  701.6100  240.1600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1009.5400  243.1200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1033.8800  243.5800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1123.4000  243.1200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1082.5600  243.5800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  375.0200  246.8700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  399.0200  246.8700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  423.7100  246.5300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  472.0500  246.5300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  495.9400  246.5300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  350.6800  247.3300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  521.8800  248.0100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1021.9300  250.6300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1046.2800  250.2900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1069.8200  250.2900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1094.6200  250.6300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  701.6100  254.3800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1129.4300  257.0000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1143.3100  260.4100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  986.3300  262.6900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1070.6200  264.8500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1094.6200  265.3000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1083.3600  272.3500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  994.9800  274.6300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1105.8800  274.2900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1144.1100  274.2900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  714.0000  276.4500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1131.3700  279.8600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  973.5900  281.3400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1156.7300  281.3400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  924.1100  284.4100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  961.6500  289.9900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  912.9600  291.1200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  936.8500  291.4700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  702.0600  297.1500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  990.8800  299.3100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  689.3200  304.5500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  912.9600  305.3400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  936.8500  305.6800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  888.6200  306.4800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  900.5600  312.5100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  925.2400  312.8500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  864.6100  315.4700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  833.1000  316.6000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  879.1700  316.9500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  689.6600  318.4200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  819.6800  319.2200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  899.7600  326.7300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  842.5500  327.4100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  742.1000  330.4800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  766.4500  330.4800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  814.4500  333.4400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  730.1600  337.5400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  779.5300  338.3300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  861.2000  341.2900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  838.3400  341.2900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  879.9700  343.2200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  824.1200  344.3600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  849.6000  349.5900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  364.9000  212.8600    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  562.8300  218.2100    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  635.1700  218.0900    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  713.2100  217.8700    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  743.0100  226.6300    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  538.9400  227.7600    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  611.1700  228.2200    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  689.0900  228.7900    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
 1008.6300  228.7900    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  410.7400  235.2700    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
 1132.2800  231.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
 1120.8400  222.7400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 1143.7100  240.0700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 1140.9400  219.9600    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
 1123.6100  242.8400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
 88 89  2  0  0  0  0
 88 90  2  0  0  0  0
 88 91  1  0  0  0  0
 92 88  1  0  0  0  0
M  CHG  1  91  -1
M  END
>  <Formula>
C78N5O8S-

$$$$
TJL0123
 OpenBabel09292510183D

 40  3  0  0  0  0  0  0  0  0999 V2000
 1123.6100  242.8400    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
 1105.0900  236.6400    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  361.4800  240.3900    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  482.8600  239.0300    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  575.2300  243.6900    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  647.5700  243.9200    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  778.3900  238.6800    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
 1057.5400  243.1200    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  446.9100  246.1900    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  986.3300  248.5800    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  599.0000  253.7000    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  671.1200  253.7000    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  713.2100  261.0900    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  350.1100  261.3200    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  398.2300  260.9800    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  521.6500  261.8900    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  972.4500  266.4400    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
 1121.3500  268.0300    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
 1050.9400  272.2400    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  949.0200  279.1800    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  696.9400  282.4800    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  725.8400  283.0500    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  986.1000  284.9800    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  858.2400  301.8200    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  962.5600  303.5200    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  741.3100  315.8100    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  676.9200  325.0200    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  856.2000  327.0700    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  884.6300  329.1200    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  720.7200  330.0300    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  800.6800  339.8100    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  754.0500  339.8100    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  778.2800  351.7500    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
 1042.0700  265.0700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  334.4700  215.7600    0.0000 S   0  0  0  0  0  1  0  0  0  0  0  0
  303.0700  215.2600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  790.8600  231.4800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  730.1600  351.9400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  766.4500  316.0800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1102.1600  288.2000    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  7 37  1  0  0  0  0
 19 34  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Formula>
C5N15O18S

$$$$
