TJL0166
 OpenBabel09292510182D

127  4  0  0  0  0  0  0  0  0999 V2000
  765.0000   98.6600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  789.4900   98.3200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  740.6200   99.1100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  544.9200   99.7900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  618.1700   99.7900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  692.2100  100.1300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  716.9300   99.7900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  316.6700  103.5300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  365.5400  103.8700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  389.5800  103.8700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  438.4500  103.8700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  462.4900  103.5300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  511.7000  103.8700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  291.9600  105.0100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  802.0800  105.3500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  753.2100  105.6900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  777.2500  105.6900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  679.9600  107.1600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  704.7900  106.8200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  329.2600  110.5600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  353.3000  110.5600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  402.1700  110.5600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  426.5500  110.5600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  475.4200  110.5600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  499.1100  110.5600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  563.4000  110.1100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  599.6900  110.1100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  637.1000  110.1100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  282.3200  114.9900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  680.3000  120.8800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  302.6200  124.6200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  352.9600  124.6200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  289.3500  127.5700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  365.2000  131.6500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  365.2000  145.7100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  718.0600  145.7100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  693.2300  146.0500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  742.1000  145.7100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  432.4400  148.6600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  729.8500  153.0800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  754.6800  152.7400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  705.4700  153.0800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  433.2400  162.7200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  409.2000  163.0600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  483.5800  166.0100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  396.6100  169.7500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  445.4800  169.7500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  470.2000  171.5700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  508.6400  172.3600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  494.5800  174.8500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  396.9500  184.4900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  515.3300  184.8300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  468.3900  185.6200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  492.4200  188.9100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  661.1400  190.0500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  685.8600  190.0500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  734.7300  190.0500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  771.6900  191.1800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  479.8400  194.4700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  673.7300  197.0800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  698.1000  197.0800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  722.1400  196.7400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  746.9700  196.7400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  777.5900  204.1100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  640.3900  208.9800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  505.3500  210.0000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  746.9700  211.1400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  722.4800  211.1400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  560.4500  212.2700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  574.8500  212.2700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  531.2000  214.0800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  517.9300  218.5100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  734.7300  218.1700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  757.6300  219.6400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  646.6300  221.4500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  553.4200  224.5200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  539.7000  225.2000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  582.3400  224.8600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  624.0600  224.8600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  611.1400  230.7500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  532.3300  236.6500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  560.7900  236.6500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  575.3100  236.9900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  506.4800  241.5200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  638.5800  245.1500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  792.1000   84.0300    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  767.8400   84.8200    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  715.4500   85.3900    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  364.6400   88.6800    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  438.0000   88.5700    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  510.3400   88.5700    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  287.6500   90.7200    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  340.3700   99.2200    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  413.8500   99.2200    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  486.6400   99.1100    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  580.9800   98.5400    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  816.8200   98.5400    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  657.9700  100.9300    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  728.2700  110.1100    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  526.4400  113.8500    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  304.0900  110.0000    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  377.0000  114.1900    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  450.0200  114.4200    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  267.1300  114.6500    0.0000 S   0  0  0  0  0 15  0  0  0  0  0  0
  780.5400  120.2000    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  755.9300  120.6500    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  636.5400  123.8300    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  328.5800  124.4000    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  401.2600  124.1700    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  474.2800  124.4000    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  667.3800  128.2500    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  744.7100  130.8600    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  696.6300  131.9900    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  722.7100  131.6500    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  312.4800  134.0300    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  769.5400  145.2600    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  408.2900  148.2100    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  352.1600  152.5200    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  458.7500  158.3000    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  379.9400  162.7200    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  733.2500  166.8000    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  708.7600  167.4800    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  783.0300  177.4600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  771.9700  168.3200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  794.0900  186.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  792.1700  166.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  773.8900  188.5200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
123124  2  0  0  0  0
123125  2  0  0  0  0
123126  1  0  0  0  0
127123  1  0  0  0  0
M  CHG  1 126  -1
M  END
>  <Formula>
C86N12O27S2-

$$$$
TJL0166
 OpenBabel09292510183D

 24  5  0  0  0  0  0  0  0  0999 V2000
  773.8900  188.5200    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
  420.6500  173.9500    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  660.9100  175.3100    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  757.6300  183.9200    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  444.9100  183.8100    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  709.7800  189.3700    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  786.8900  194.4700    0.0000 H   0  0  0  0  0 15  0  0  0  0  0  0
  504.4400  194.7000    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  642.5500  196.5100    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  625.4200  210.4600    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  492.7600  216.3500    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  595.6000  221.0000    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  770.7800  216.4700    0.0000 N   0  0  0  0  0  1  0  0  0  0  0  0
  702.5300  218.1700    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  635.7400  231.0900    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  517.9300  232.4500    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  754.1200  233.0200    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  609.4400  244.5900    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  689.1500  206.9400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  234.2300  114.1500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  778.1000  228.5400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  792.2000  228.5400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  799.0000  216.4700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  791.6900  204.1100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
 13 21  1  0  0  0  0
 14 19  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Formula>
C6N9O7

$$$$
