TJL0124
 OpenBabel09292510182D

 92  4  0  0  0  0  0  0  0  0999 V2000
  221.3700  106.6000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  207.1500  106.9400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  498.2400  113.6600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  577.6400  113.3100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  629.2900  113.3100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  425.9000  113.6600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  449.9000  114.0000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  522.2400  114.0000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  617.3400  119.6800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  201.9200  120.8200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  249.1200  120.8200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  297.4700  120.8200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  321.8100  120.8200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  370.5000  120.8200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  413.9500  120.8200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  461.8400  121.1600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  486.6400  121.1600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  534.9800  121.1600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  564.1100  121.1600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  872.0400  124.1200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  896.3800  124.5800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  985.9000  124.1200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  945.0600  124.5800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  237.5200  127.8700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  261.5200  127.8700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  286.2100  127.5300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  334.5500  127.5300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  358.4400  127.5300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  213.1800  128.3300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  384.3800  129.0100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  884.4300  131.6300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  908.7800  131.2900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  932.3200  131.2900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  957.1200  131.6300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  564.1100  135.3800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  991.9300  138.0000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1005.8100  141.4100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  848.8300  143.6900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  933.1200  145.8500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  957.1200  146.3000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  945.8600  153.3500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  857.4800  155.6300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  968.3800  155.2900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1006.6100  155.2900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  576.5000  157.4500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  993.8700  160.8600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  836.0900  162.3400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1019.2300  162.3400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  786.6100  165.4100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  824.1500  170.9900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  775.4600  172.1200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  799.3500  172.4700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  564.5600  178.1500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  853.3800  180.3100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  551.8200  185.5500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  775.4600  186.3400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  799.3500  186.6800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  751.1200  187.4800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  763.0600  193.5100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  787.7400  193.8500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  727.1100  196.4700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  695.6000  197.6000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  741.6700  197.9500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  552.1600  199.4200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  682.1800  200.2200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  762.2600  207.7300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  705.0500  208.4100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  604.6000  211.4800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  628.9500  211.4800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  676.9500  214.4400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  592.6600  218.5400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  642.0300  219.3300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  723.7000  222.2900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  700.8400  222.2900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  742.4700  224.2200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  686.6200  225.3600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  712.1000  230.5900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  227.4000   93.8600    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  425.3300   99.2100    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  497.6700   99.0900    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  575.7100   98.8700    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  605.5100  107.6300    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  401.4400  108.7600    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  473.6700  109.2200    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  551.5900  109.7900    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  871.1300  109.7900    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  273.2400  116.2700    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  994.7800  112.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  983.3400  103.7400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 1006.2100  121.0700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 1003.4400  100.9600    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  986.1100  123.8400    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-

$$$$
TJL0124
 OpenBabel09292510183D

 40  3  0  0  0  0  0  0  0  0999 V2000
  986.1100  123.8400    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
  967.5900  117.6400    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  223.9800  121.3900    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  345.3600  120.0300    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  437.7300  124.6900    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  510.0700  124.9200    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  640.8900  119.6800    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  920.0400  124.1200    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  309.4100  127.1900    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  848.8300  129.5800    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  461.5000  134.7000    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  533.6200  134.7000    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  575.7100  142.0900    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  212.6100  142.3200    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  260.7300  141.9800    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  384.1500  142.8900    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  834.9500  147.4400    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  983.8500  149.0300    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  913.4400  153.2400    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  811.5200  160.1800    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  559.4400  163.4800    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  588.3400  164.0500    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  848.6000  165.9800    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  720.7400  182.8200    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  825.0600  184.5200    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  603.8100  196.8100    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  539.4200  206.0200    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  718.7000  208.0700    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  747.1300  210.1200    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  583.2200  211.0300    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  663.1800  220.8100    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  616.5500  220.8100    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  640.7800  232.7500    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  904.5700  146.0700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  196.9700   96.7600    0.0000 S   0  0  0  0  0  1  0  0  0  0  0  0
  165.5700   96.2600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  653.3600  112.4800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  592.6600  232.9400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  628.9500  197.0800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  964.6600  169.2000    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

$$$$
