DRG07158
 OpenBabel09292510182D

288298  0  0  1  0  0  0  0  0999 V2000
  554.5800  437.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  574.3000  452.9600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  594.0200  468.0900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  633.4500  498.3500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  653.1700  513.4800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  692.6100  543.7400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  712.3300  558.8700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  732.0500  574.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  627.9600  485.0900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  687.1200  530.4800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  568.8100  439.7000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  608.2400  469.9600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  667.4000  515.3500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  726.5600  560.7500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  545.8400  449.2100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  723.3100  585.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  613.7400  483.2200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  672.8900  528.6100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  549.0900  424.5700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  588.5200  454.8300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  647.6800  500.2200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  706.8400  545.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  746.2700  575.8800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  728.8000  598.6500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  833.8900  625.0200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  850.3600  664.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  748.5200  613.7800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  830.6400  649.6600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  743.0300  600.5200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  828.3900  611.7600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  825.1500  636.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  751.7700  589.1300    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  794.4500  594.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  814.1700  609.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  810.9200  634.5300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  765.9900  591.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  788.9600  581.5000    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  805.4300  621.2700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  797.6900  570.1100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  811.9200  571.9800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  820.6600  560.6000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  843.6200  551.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  841.6200  676.1700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  785.7100  606.1400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  844.8700  651.5300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  774.7300  579.6200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  808.6800  596.6300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  771.4900  604.2700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  834.8800  562.4700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  838.1300  537.8300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  857.8500  552.9600    0.0000 N   0  0  0  0  0  1  0  0  0  0  0  0
  847.1200  689.4300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  866.8300  704.5600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  942.2100  626.7400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  919.2500  636.2500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  992.6400  610.4700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  861.3400  691.3000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  933.4800  638.1300    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  913.7600  623.0000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  980.8200  618.6000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
 1004.0300  619.2100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  870.0800  679.9200    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  916.0000  660.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  938.9700  651.3800    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  961.9300  641.8700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  999.2400  632.7400    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  884.3100  681.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  907.2700  672.2800    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  953.1900  653.2600    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  976.1600  643.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 1027.8500  630.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 1007.3700  644.5600    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  912.7600  685.5400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  873.3200  655.2800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  935.7200  676.0300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
 1021.6700  643.4400    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  926.9900  687.4100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  904.0200  696.9200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  972.9100  668.3900    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
 1025.9000  605.7100    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
 1017.7700  593.8800    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
 1029.8000  655.2600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
 1040.2100  604.5800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
 1009.3200  669.3400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
 1023.9500  580.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 1015.8200  569.1000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
 1038.2600  579.8000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
 1022.0000  556.1500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
 1044.4300  566.8500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
 1036.3100  555.0200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  910.5100  647.6400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  893.0400  670.4100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  984.8900  632.3600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 1042.1600  629.3600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  864.5900  666.6600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  930.2300  662.7700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 1019.7200  618.6600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  889.8000  695.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  958.6900  666.5100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  981.6500  657.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 1003.4700  595.0100    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
 1001.1900  657.5100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  534.8600  422.7000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  529.3700  409.4400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  515.1400  407.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  509.6500  394.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  506.4100  418.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  519.8000  384.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  519.8000  369.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  509.6500  359.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  495.3000  359.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  485.1500  369.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  485.1500  384.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  495.3000  394.3100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  532.2200  391.3400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  544.6500  384.1600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  544.6500  369.8100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  532.2200  362.6400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  472.7300  362.6400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  460.3000  369.8100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  460.3000  384.1600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  472.7300  391.3400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  514.0800  346.0200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  502.4700  337.5800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  490.8700  346.0200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  383.3700  225.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  399.0100  245.0000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  430.2900  283.6300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  445.9300  302.9500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  477.2200  341.5800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  367.7300  206.3700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  381.1200  211.5100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  412.4100  250.1500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  428.0500  269.4600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  459.3300  308.0900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  474.9700  327.4100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  372.2200  234.7200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  414.6500  264.3200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  461.5800  322.2700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  396.7600  230.8300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  443.6900  288.7800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8000  246.6300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  668.9800  122.3400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
   32.9500  237.6000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  655.5800  117.1900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
   46.3500  242.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  644.4300  126.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  631.0300  121.0800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
   48.5900  256.9200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  595.3300  134.0000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  619.8800  130.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  635.5200  149.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.8900  238.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   61.9900  262.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  606.4800  124.9700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
   64.2300  276.2300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  626.6100  172.6300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
   95.4400  234.9700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  613.2200  167.4900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  106.5900  225.9400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  602.0600  176.5200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  119.9900  231.0800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  588.6700  171.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  131.1400  222.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  564.1200  175.2700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  155.6900  218.1600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  552.9700  184.3000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  169.0900  223.3000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  528.4200  188.1800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  479.3200  195.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  242.7400  211.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6400  219.4100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  515.0200  183.0400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  490.4700  186.9300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  229.3400  206.5000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  204.7900  210.3800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  454.7700  199.8500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  267.2900  207.7500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  441.3700  194.7100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  278.4400  198.7200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  445.8600  223.0500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  390.0300  188.3100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  282.9300  227.0700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  414.5800  184.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  340.9300  196.0900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  316.3800  199.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  432.4700  217.9100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  416.8200  198.5900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  376.6300  183.1700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  302.9900  194.8300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  294.0800  218.0400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  352.0800  187.0500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  461.5000  242.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  274.0200  250.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  664.6300  253.7800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  205.0100  450.0800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  651.2300  248.6400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  472.6600  233.3400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  497.2000  229.4500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  267.3600  287.6500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  276.2600  264.4400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  648.9900  234.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  256.2100  296.6800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  202.7600  435.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  510.6000  234.5900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  660.1400  225.4400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  189.3700  430.7600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  162.5700  420.4800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  682.4400  207.3800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  535.1500  230.7000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  657.9000  211.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  633.3500  215.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  608.8000  219.0400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  584.2500  222.9300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  247.3000  319.8800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  229.4800  366.2900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  220.5800  389.4900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  211.6700  412.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1200  416.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  570.8500  217.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  240.6400  357.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  669.0500  202.2300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  595.4000  213.9000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  546.3000  221.6700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  249.5400  334.0600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  231.7300  380.4600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  173.7200  411.4400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  646.6700  140.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   57.5000  233.7100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  637.7600  163.6000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
   82.0500  229.8200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  622.1200  144.2900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   73.1400  253.0300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  128.9000  207.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  586.4200  157.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  577.5100  180.4100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  144.5400  227.1900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  539.5700  179.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  481.5600  210.1300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  244.9800  225.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.2400  214.2700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  503.8700  192.0700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.1900  215.5300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  465.9200  190.8200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  253.8900  202.6100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  425.7300  175.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  318.6300  214.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  291.8300  203.8600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  430.2200  203.7400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  365.4800  192.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  448.1100  237.2300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  401.1800  179.2800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  327.5400  190.9400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  285.1700  241.2400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  265.1100  273.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  486.0500  238.4800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  463.7500  256.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  260.6200  245.1300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  258.4500  310.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  635.5900  229.3300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  521.7500  225.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9100  426.8700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  559.7000  226.8200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  238.3900  343.0900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  644.5000  206.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  619.9500  210.0100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  222.8200  403.6700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  198.2700  407.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  568.6100  203.6100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  254.0300  362.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8000  232.2300    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   49.8300  276.2300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  150.1000  413.2800    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.5400  457.2800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  192.5400  471.6800    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  666.8800  268.0100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  693.6400  198.3100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  680.1700  113.2700    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  581.8800  128.8400    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   42.6300  288.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.6000  113.4700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  277.6000  118.4700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  255.6000  106.4700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  319.6000  106.4700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  298.6000   99.4700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  356.6000   95.4700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  240.6000   84.4700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  311.6000   71.4700    0.0000 C   0  0  0  0  0  1  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  1  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  6  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  1  0  0  0
 58 64  1  0  0  0  0
 60 93  1  0  0  0  0
 62 57  1  1  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
125130  1  0  0  0  0
126132  1  0  0  0  0
126137  2  0  0  0  0
126140  1  0  0  0  0
127133  1  0  0  0  0
127140  1  0  0  0  0
128134  1  0  0  0  0
128141  1  0  0  0  0
129135  1  0  0  0  0
129141  1  0  0  0  0
130136  1  0  0  0  0
131132  1  0  0  0  0
133138  1  0  0  0  0
134138  1  0  0  0  0
135139  1  0  0  0  0
136139  1  0  0  0  0
142144  1  0  0  0  0
142271  1  0  0  0  0
143145  1  0  0  0  0
143278  1  0  0  0  0
144146  1  0  0  0  0
145147  1  0  0  0  0
146149  1  0  0  0  0
146229  2  0  0  0  0
147148  1  0  0  0  0
147228  2  0  0  0  0
148151  2  0  0  0  0
149154  2  0  0  0  0
150155  1  0  0  0  0
150279  1  0  0  0  0
151155  1  0  0  0  0
151232  1  0  0  0  0
152228  1  0  0  0  0
152230  1  0  0  0  0
152232  2  0  0  0  0
153229  1  0  0  0  0
153231  1  0  0  0  0
153233  2  0  0  0  0
154156  1  0  0  0  0
154233  1  0  0  0  0
156272  1  0  0  0  0
157159  1  0  0  0  0
157230  1  0  0  0  0
158160  1  0  0  0  0
158231  1  0  0  0  0
159161  1  0  0  0  0
160162  1  0  0  0  0
161163  1  0  0  0  0
162164  1  0  0  0  0
163235  2  0  0  0  0
163236  1  0  0  0  0
164234  2  0  0  0  0
164237  1  0  0  0  0
165167  1  0  0  0  0
165236  1  0  0  0  0
166168  1  0  0  0  0
166237  1  0  0  0  0
167238  1  0  0  0  0
168241  1  0  0  0  0
169173  1  0  0  0  0
169238  1  0  0  0  0
170174  1  0  0  0  0
170239  2  0  0  0  0
170244  1  0  0  0  0
171175  1  0  0  0  0
171240  2  0  0  0  0
171245  1  0  0  0  0
172176  1  0  0  0  0
172241  1  0  0  0  0
173242  1  0  0  0  0
174242  1  0  0  0  0
175243  1  0  0  0  0
176243  1  0  0  0  0
177179  1  0  0  0  0
177244  1  0  0  0  0
178180  1  0  0  0  0
178245  1  0  0  0  0
179249  1  0  0  0  0
180248  1  0  0  0  0
181187  1  0  0  0  0
181251  1  0  0  0  0
182189  1  0  0  0  0
182252  1  0  0  0  0
183191  1  0  0  0  0
183254  1  0  0  0  0
184188  1  0  0  0  0
184246  2  0  0  0  0
184252  1  0  0  0  0
185192  1  0  0  0  0
185253  1  0  0  0  0
186190  1  0  0  0  0
186247  2  0  0  0  0
186253  1  0  0  0  0
187249  1  0  0  0  0
188249  1  0  0  0  0
189250  1  0  0  0  0
190248  1  0  0  0  0
191248  1  0  0  0  0
192250  1  0  0  0  0
193198  1  0  0  0  0
193251  1  0  0  0  0
193257  2  0  0  0  0
194201  1  0  0  0  0
194254  1  0  0  0  0
194258  2  0  0  0  0
195197  1  0  0  0  0
195276  1  0  0  0  0
196204  1  0  0  0  0
196274  1  0  0  0  0
197202  1  0  0  0  0
198256  1  0  0  0  0
199205  1  0  0  0  0
199256  1  0  0  0  0
200203  1  0  0  0  0
200255  1  0  0  0  0
201255  1  0  0  0  0
202206  1  0  0  0  0
202260  2  0  0  0  0
203259  1  0  0  0  0
204207  1  0  0  0  0
204262  2  0  0  0  0
205261  1  0  0  0  0
206211  2  0  0  0  0
207219  2  0  0  0  0
208227  1  0  0  0  0
208273  1  0  0  0  0
209222  1  0  0  0  0
209277  1  0  0  0  0
210224  1  0  0  0  0
210261  1  0  0  0  0
211222  1  0  0  0  0
211265  1  0  0  0  0
212260  1  0  0  0  0
212265  2  0  0  0  0
212266  1  0  0  0  0
213223  1  0  0  0  0
213266  1  0  0  0  0
214220  1  0  0  0  0
214223  1  0  0  0  0
215225  1  0  0  0  0
215259  1  0  0  0  0
216221  1  0  0  0  0
216226  1  0  0  0  0
217226  1  0  0  0  0
217267  1  0  0  0  0
218262  1  0  0  0  0
218267  1  0  0  0  0
218268  2  0  0  0  0
219227  1  0  0  0  0
219268  1  0  0  0  0
220263  1  0  0  0  0
220269  2  0  0  0  0
221264  1  0  0  0  0
221270  2  0  0  0  0
224263  1  0  0  0  0
225264  1  0  0  0  0
250131  1  0  0  0  0
271281  1  0  0  0  0
272280  1  0  0  0  0
273283  1  0  0  0  0
274275  1  0  0  0  0
275282  1  0  0  0  0
276285  1  0  0  0  0
277284  1  0  0  0  0
278286  1  0  0  0  0
279288  1  0  0  0  0
280287  1  0  0  0  0
M  END
>  <Formula>
C197N41O42S8

$$$$
