DRG07153
 OpenBabel09292510182D

279289  0  0  1  0  0  0  0  0999 V2000
  589.5900  379.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  604.8400  359.4100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  620.0900  339.7900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  650.6000  300.5400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  665.8600  280.9200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  696.3700  241.6700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  711.6200  222.0500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  726.8700  202.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  648.6400  314.7600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  694.4000  255.8900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  602.8800  373.6300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  633.3900  334.3800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  679.1500  275.5100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  724.9100  216.6400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  578.2600  370.2300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  715.5400  193.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  635.3500  320.1700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  681.1100  261.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  587.6200  393.2500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  618.1300  354.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  663.8900  295.1400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  709.6600  236.2700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  740.1700  197.0200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  732.7600  159.7800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  778.5200  100.9100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  809.0300   61.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  717.5100  179.4100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  793.7800   81.2900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  730.8000  174.0000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  776.5600  115.1300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  791.8100   95.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  742.1300  182.8000    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  772.6400  143.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  787.8900  123.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  803.1400  104.3100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  755.4200  177.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  770.6700  157.7700    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  801.1800  118.5300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  782.0000  166.5800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  795.3000  161.1700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  806.6200  169.9800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  831.2500  173.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  797.7000   52.8600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  761.3100  134.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  807.0700   75.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  757.3800  163.1800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  785.9300  138.1500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  766.7500  186.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  819.9200  164.5700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  829.2800  187.5900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  844.5400  167.9700    0.0000 N   0  0  0  0  0  1  0  0  0  0  0  0
  848.9100   45.4400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  858.2700   68.4600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  877.0100  114.5100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  886.3800  137.5300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  902.3300  188.0600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  846.9400   59.6500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  875.0500  128.7200    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  884.4100  151.7400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  894.2700  176.1800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  893.5200  199.3900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  833.6500   65.0600    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  852.3900  111.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  861.7500  134.1300    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  871.1200  157.1500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  880.0200  194.5200    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  831.6900   79.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  841.0600  102.3000    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  859.7900  148.3400    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  869.1600  171.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  882.1000  223.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  868.1500  202.5700    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  827.7700  107.7100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  824.2900   42.0400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  837.1300  130.7300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  869.1800  216.8800    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  816.4400   98.9000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  825.8000  121.9200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  835.1700  144.9500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  871.2600  245.5100    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  872.2900  259.8200    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  857.3100  224.9400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  858.3400  239.2500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  843.3600  204.3600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  860.4100  267.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  861.4500  282.1900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  847.5000  261.6100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  849.5700  290.2400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  835.6200  269.6700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  836.6600  283.9800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  865.6800  105.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  843.0200   88.0900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  880.4900  180.1700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  893.9700  215.0900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  822.3200   56.2600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  850.4300  125.3200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  883.1300  237.4500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  818.4000   84.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  846.5000  153.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  855.8700  176.7800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  885.2000  266.0800    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  855.2300  196.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  574.3300  398.6600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  572.3700  412.8800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  559.0800  418.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  557.1200  432.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  547.7500  409.4800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  543.2300  436.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  535.9800  448.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  539.6100  462.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  551.9900  469.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  565.8700  466.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  573.1300  453.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  569.5000  439.7500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  536.1400  423.6500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  521.7900  423.5600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  514.5300  435.9500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  521.6300  448.4200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  572.9700  478.4900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  587.3200  478.5800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  594.5700  466.2000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  587.4700  453.7300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  528.8800  471.9300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  534.6400  485.0700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  548.9200  483.6600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  267.5900  428.7100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  249.9100  446.1800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  277.6800  438.9200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  259.9900  456.3900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  256.1900  470.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  291.5600  435.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  242.3100  473.8500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  295.3600  421.4600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  302.9600  393.7800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  214.5400  481.1000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  238.5000  487.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  262.4700  494.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  315.5300  441.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  309.2400  417.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6200  491.3100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  313.0500  403.9900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  339.4900  448.4600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  244.7900  511.7400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  268.7500  518.3200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  333.2100  424.4100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  230.9000  515.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  254.8700  521.9500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  337.0100  410.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  343.3000  434.6200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  237.1900  539.4100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  360.9800  417.1600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  233.3800  553.2500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  377.1900  592.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  393.7100  485.6800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  374.8600  413.5300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  257.3500  559.8300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  305.2900  573.0000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  329.2500  579.5800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  401.1500  599.3300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  418.8400  581.8700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  412.5600  557.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  399.9900  509.7200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  381.1500  437.5800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  267.4300  570.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  411.2400  609.5400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  391.2300  447.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  291.4000  576.6300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  339.3400  589.7900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  363.3000  596.3800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  428.9200  592.0800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  416.3600  543.9800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  410.0800  519.9300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  397.5100  471.8400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  239.6700  577.3000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  398.8300  420.1200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  225.7800  580.9200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  402.6300  406.2800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  410.2300  378.6000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  198.0100  588.1800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  208.1000  598.3900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  232.0600  604.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  426.6000  412.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  420.3200  388.8100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  204.3000  612.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.2600  618.8100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  440.4800  409.2300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  434.2000  385.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4100  615.8500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  238.3500  629.0200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  450.5700  419.4400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  438.0000  371.3500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  445.6000  343.6700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  210.5800  636.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  234.5500  642.8600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  464.4500  415.8200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  162.6400  623.1100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  186.6100  629.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  458.1700  391.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  451.8900  367.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  172.7300  633.3200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  455.6900  353.8800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  266.2700  480.4300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  301.6400  445.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  325.6100  452.0900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  248.5900  497.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  272.5600  504.4800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  319.3300  428.0400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.8200  505.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  326.9300  400.3700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.1000  529.2000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  350.9000  406.9500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  380.9900  578.9100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  398.6700  561.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  387.4300  461.6300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  281.3200  566.4100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  353.2200  586.1600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  406.2800  533.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  425.1200  605.9200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  243.4700  563.4600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  315.3700  583.2100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  387.2700  602.9600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  422.6400  568.0300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  403.7900  495.8900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  384.9500  423.7400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  263.6300  583.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  405.1100  444.1600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  245.9500  601.3400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.9800  594.7600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  422.8000  426.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  416.5200  402.6500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  214.3800  622.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  444.2800  395.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.6900  639.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.6600  646.4800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  468.2500  401.9800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  461.9700  377.9300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  148.7100  626.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.8300  574.2900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.6100  484.7400    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  253.7200  432.2900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  263.8700  414.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  289.0300  397.4200    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  414.0500  364.7200    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  449.4200  329.7900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  159.2100  404.6000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  159.1000  402.8800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  158.8500  403.3500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  161.0000  395.0900    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  158.1000  387.6000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  173.8500  371.8500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  162.6000  383.1000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  166.8500  359.8500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  451.0300  663.1700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  468.6500  646.0800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  486.2600  629.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  504.0400  612.2100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  521.4300  594.8800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  556.5900  560.7700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  574.1300  543.7500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  609.3600  509.5700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  626.9700  492.9400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  433.4900  680.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  429.8100  693.7900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  464.9700  659.6800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  500.2800  625.7300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  535.4400  591.6200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  552.9100  574.3700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  587.8300  540.4900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  605.6800  523.1700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  640.8400  489.0600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  422.8400  670.4600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  475.4700  618.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  538.1900  578.1600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  590.9600  527.2600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  516.5100  608.9200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  621.9800  506.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  449.2300  680.1200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  484.6300  645.7800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  569.6000  557.5700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 15  2  0  0  0  0
  1 19  1  0  0  0  0
  2 11  1  0  0  0  0
  2 20  1  0  0  0  0
  3 12  1  0  0  0  0
  3 20  1  0  0  0  0
  4  9  1  0  0  0  0
  4 21  1  0  0  0  0
  5 13  1  0  0  0  0
  5 21  1  0  0  0  0
  6 10  1  0  0  0  0
  6 22  1  0  0  0  0
  7 14  1  0  0  0  0
  7 22  1  0  0  0  0
  8 14  1  0  0  0  0
  8 16  2  0  0  0  0
  8 23  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 19103  1  0  0  0  0
 23 32  1  0  0  0  0
 24 29  1  0  0  0  0
 25 30  1  0  0  0  0
 25 31  2  0  0  0  0
 26 43  2  0  0  0  0
 26 45  1  0  0  0  0
 27 29  1  0  0  0  0
 28 31  1  0  0  0  0
 28 45  1  0  0  0  0
 30 34  2  0  0  0  0
 31 35  1  0  0  0  0
 32 29  1  6  0  0  0
 32 36  1  0  0  0  0
 33 37  1  0  0  0  0
 33 44  2  0  0  0  0
 33 47  1  0  0  0  0
 34 38  1  0  0  0  0
 34 47  1  0  0  0  0
 35 38  2  0  0  0  0
 36 46  1  0  0  0  0
 36 48  2  0  0  0  0
 37 39  1  1  0  0  0
 37 46  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 49  1  0  0  0  0
 42 49  1  0  0  0  0
 42 50  2  0  0  0  0
 42 51  1  0  0  0  0
 52 57  1  0  0  0  0
 53 57  1  0  0  0  0
 55 58  1  0  0  0  0
 55 59  1  0  0  0  0
 56 60  1  0  0  0  0
 56 61  1  0  0  0  0
 58 54  1  6  0  0  0
 58 64  1  0  0  0  0
 60 93  1  0  0  0  0
 62 57  1  6  0  0  0
 62 67  1  0  0  0  0
 62 95  1  0  0  0  0
 63 91  2  0  0  0  0
 63 96  1  0  0  0  0
 64 69  1  0  0  0  0
 64 96  1  6  0  0  0
 65 70  1  0  0  0  0
 66 61  1  0  0  0  0
 66 72  1  6  0  0  0
 66 93  1  0  0  0  0
 67 92  1  0  0  0  0
 67 98  2  0  0  0  0
 68 63  1  1  0  0  0
 68 73  1  0  0  0  0
 68 92  1  0  0  0  0
 69 65  1  6  0  0  0
 69 99  1  0  0  0  0
 70 93  1  0  0  0  0
 70100  2  0  0  0  0
 71 76  1  0  0  0  0
 71 94  2  0  0  0  0
 71 97  1  0  0  0  0
 72 76  1  0  0  0  0
 72102  1  6  0  0  0
 73 77  1  0  0  0  0
 73 78  1  0  0  0  0
 74 95  1  0  0  0  0
 75 96  1  0  0  0  0
 76 82  1  1  0  0  0
 79 99  1  0  0  0  0
 80 81  1  0  0  0  0
 80 83  1  6  0  0  0
 80 97  1  0  0  0  0
 81 85  1  0  0  0  0
 81101  1  6  0  0  0
 84102  1  0  0  0  0
 85 86  1  0  0  0  0
 85 87  2  0  0  0  0
 86 88  2  0  0  0  0
 87 89  1  0  0  0  0
 88 90  1  0  0  0  0
 89 90  2  0  0  0  0
 95 26  1  0  0  0  0
103104  1  0  0  0  0
104105  1  0  0  0  0
105106  1  0  0  0  0
105107  2  0  0  0  0
106108  1  0  0  0  0
108109  2  0  0  0  0
108115  1  0  0  0  0
109110  1  0  0  0  0
110111  2  0  0  0  0
110123  1  0  0  0  0
111112  1  0  0  0  0
112113  2  0  0  0  0
112119  1  0  0  0  0
113114  1  0  0  0  0
114106  1  0  0  0  0
115116  2  0  0  0  0
116117  1  0  0  0  0
117118  2  0  0  0  0
118109  1  0  0  0  0
119120  2  0  0  0  0
120121  1  0  0  0  0
121122  2  0  0  0  0
122113  1  0  0  0  0
123124  2  0  0  0  0
124125  1  0  0  0  0
125111  1  0  0  0  0
125270  1  0  0  0  0
126128  1  0  0  0  0
126241  1  0  0  0  0
127129  1  0  0  0  0
127240  1  0  0  0  0
128131  1  0  0  0  0
129130  1  0  0  0  0
130132  1  0  0  0  0
130202  2  0  0  0  0
131133  2  0  0  0  0
131203  1  0  0  0  0
132136  2  0  0  0  0
133139  1  0  0  0  0
134141  1  0  0  0  0
134242  1  0  0  0  0
135140  1  0  0  0  0
135239  1  0  0  0  0
136140  1  0  0  0  0
136205  1  0  0  0  0
137202  1  0  0  0  0
137205  2  0  0  0  0
137206  1  0  0  0  0
138203  2  0  0  0  0
138204  1  0  0  0  0
138207  1  0  0  0  0
139141  1  0  0  0  0
139207  2  0  0  0  0
142149  1  0  0  0  0
142204  1  0  0  0  0
143146  1  0  0  0  0
143147  1  0  0  0  0
144147  1  0  0  0  0
144206  1  0  0  0  0
145148  1  0  0  0  0
145149  1  0  0  0  0
146208  2  0  0  0  0
146210  1  0  0  0  0
148209  2  0  0  0  0
148211  1  0  0  0  0
150152  1  0  0  0  0
150210  1  0  0  0  0
151155  1  0  0  0  0
151211  1  0  0  0  0
152219  1  0  0  0  0
153169  1  0  0  0  0
153212  2  0  0  0  0
153221  1  0  0  0  0
154173  1  0  0  0  0
154223  1  0  0  0  0
155224  1  0  0  0  0
156164  1  0  0  0  0
156219  1  0  0  0  0
157167  1  0  0  0  0
157220  1  0  0  0  0
158168  1  0  0  0  0
158220  1  0  0  0  0
159165  1  0  0  0  0
159221  1  0  0  0  0
160170  1  0  0  0  0
160222  1  0  0  0  0
161171  1  0  0  0  0
161213  2  0  0  0  0
161222  1  0  0  0  0
162172  1  0  0  0  0
162223  1  0  0  0  0
163166  1  0  0  0  0
163224  1  0  0  0  0
164215  1  0  0  0  0
164225  2  0  0  0  0
165218  1  0  0  0  0
166214  1  0  0  0  0
166226  2  0  0  0  0
167215  1  0  0  0  0
168216  1  0  0  0  0
169216  1  0  0  0  0
170218  1  0  0  0  0
171217  1  0  0  0  0
172217  1  0  0  0  0
173214  1  0  0  0  0
174176  1  0  0  0  0
174219  1  0  0  0  0
175177  1  0  0  0  0
175224  1  0  0  0  0
176228  1  0  0  0  0
177230  1  0  0  0  0
178183  1  0  0  0  0
178243  1  0  0  0  0
179180  1  0  0  0  0
179238  1  0  0  0  0
180184  1  0  0  0  0
181185  1  0  0  0  0
181227  2  0  0  0  0
181228  1  0  0  0  0
182186  1  0  0  0  0
182229  2  0  0  0  0
182230  1  0  0  0  0
183187  1  0  0  0  0
184188  2  0  0  0  0
184231  1  0  0  0  0
185189  1  0  0  0  0
186190  1  0  0  0  0
187191  1  0  0  0  0
187232  2  0  0  0  0
188197  1  0  0  0  0
189194  1  0  0  0  0
190195  1  0  0  0  0
191199  2  0  0  0  0
192201  1  0  0  0  0
192244  1  0  0  0  0
193231  2  0  0  0  0
193233  1  0  0  0  0
193234  1  0  0  0  0
194234  1  0  0  0  0
195235  1  0  0  0  0
196200  1  0  0  0  0
196237  1  0  0  0  0
197200  1  0  0  0  0
197233  2  0  0  0  0
198232  1  0  0  0  0
198235  1  0  0  0  0
198236  2  0  0  0  0
199201  1  0  0  0  0
199236  1  0  0  0  0
218263  1  0  0  0  0
237245  1  0  0  0  0
238246  1  0  0  0  0
239247  1  0  0  0  0
240248  1  0  0  0  0
241249  1  0  0  0  0
242251  1  0  0  0  0
243250  1  0  0  0  0
244252  1  0  0  0  0
253264  1  0  0  0  0
253277  1  0  0  0  0
254264  1  0  0  0  0
254278  1  0  0  0  0
255265  1  0  0  0  0
255272  2  0  0  0  0
255278  1  0  0  0  0
256265  1  0  0  0  0
256275  1  0  0  0  0
257266  1  0  0  0  0
257275  1  0  0  0  0
258267  1  0  0  0  0
258279  1  0  0  0  0
259268  1  0  0  0  0
259279  1  0  0  0  0
260269  1  0  0  0  0
260276  1  0  0  0  0
261270  1  0  0  0  0
261276  1  0  0  0  0
262263  1  0  0  0  0
262271  2  0  0  0  0
262277  1  0  0  0  0
266273  1  0  0  0  0
267273  1  0  0  0  0
268274  1  0  0  0  0
269274  1  0  0  0  0
M  END
>  <Formula>
C192N40O39S8

$$$$
