cxy0163
 OpenBabel09292510182D

265288  0  0  1  0  0  0  0  0999 V2000
  326.6500  820.7600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  317.8500  809.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  345.8700  734.2600    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  351.2400  780.9200    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  335.7100  745.2100    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  359.7100  738.4200    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  346.2900  792.9100    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  283.7800  718.5800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  365.0800  778.2100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  289.8900  731.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  339.5900  758.9400    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  363.5900  752.1500    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  373.3200  788.4400    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  355.0900  804.3700    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  356.5800  829.3600    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  377.5500  755.8900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  348.6200  817.2900    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  301.6300  757.3600    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  371.0000  828.4900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  287.7100  756.6100    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  307.6000  770.5900    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  387.2700  792.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  471.0200  814.6200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  459.8000  772.7400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  463.5400  786.7000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  279.2900  768.3500    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  299.6500  782.2400    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  457.0600  810.8800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  442.1000  755.0500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  403.9700  757.7900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  305.7600  795.3300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  393.7500  768.0000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  262.7800  792.4300    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  428.1400  751.3100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  254.5000  804.2800    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  256.6000  778.9300    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  243.2400  777.8600    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  240.1000  802.2800    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  231.8100  814.1200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  291.5900  643.9500    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  271.7200  717.3000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  277.5000  642.5500    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  298.1300  656.8500    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  265.6200  704.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7400  763.5100    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  214.3200  775.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3400  750.3800    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  144.0000  831.2600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  289.5300  668.4600    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  269.2700  654.4100    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  253.2700  677.4500    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  152.2900  819.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  295.6300  681.5500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  202.4500  749.0400    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  245.1200  689.8500    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  246.5900  664.9900    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  199.7400  773.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3400  735.9500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  168.8000  796.3800    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  230.5500  688.9800    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  232.3700  664.1500    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  154.4700  794.4900    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  177.0500  784.2800    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  141.4100  705.8100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  226.2600  651.0500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  133.1200  717.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  148.8500  782.0600    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  171.4300  771.8500    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  179.7200  760.0100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  198.5200  711.0200    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  207.8700  699.5600    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  137.0200  755.6400    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  130.9400  742.5800    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  128.3500  767.7100    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  202.2300  686.3400    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  114.6400  766.6800    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  116.5600  741.1500    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  179.0400  695.8800    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  187.9000  684.4800    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  106.3600  778.5200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  164.6500  694.6200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
   90.1900  802.0100    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
   81.5400  813.7700    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
   83.6700  789.0900    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
   67.7700  812.0300    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
   62.0600  798.9900    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
   47.6600  797.7300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  303.5200  811.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  342.1300  720.3000    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  342.0900  769.7400    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  321.7500  741.4700    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  369.9200  728.2000    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  323.3700  795.9400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  350.1100  842.2800    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  304.2800  732.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  309.9200  745.5200    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  383.5300  778.2200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  378.9600  840.5500    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  353.1000  762.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  370.8100  804.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  281.6000  743.5200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  326.3100  772.2200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  362.6100  816.7100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  334.2000  818.1600    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  277.1700  793.6900    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  391.0100  806.1400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  453.3200  796.9200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  445.8400  769.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  260.6100  817.3800    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  264.8900  767.0900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  284.7200  780.5300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  417.9300  761.5300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  297.4700  807.1700    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  299.8800  632.1100    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  217.4100  812.8600    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  234.9800  789.5900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  237.1300  764.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  271.3900  629.4500    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  267.6700  678.7100    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  312.5300  658.1100    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  273.9100  692.3700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.4300  788.2000    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  224.6300  738.5400    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  166.6800  820.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  310.0300  682.8100    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  251.2200  702.9400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  174.9000  809.4700    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  254.8800  653.1600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  274.8400  666.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5600  761.1600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  146.1800  806.3300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  191.4500  785.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  118.7200  716.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6300  724.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.2600  700.8200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.2400  676.7200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  151.4200  756.8900    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  211.8700  649.7900    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  139.2200  730.7400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  156.7100  771.0200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  134.4500  780.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.2300  710.8200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.5100  674.5000    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  173.6100  746.9200    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  104.5800  803.2700    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  108.3900  752.6700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   87.6400  826.8600    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  156.3600  706.4600    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  181.7900  671.3900    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
   91.9600  777.2600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   59.4800  823.8700    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
   70.9200  787.5800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  397.4900  781.9600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  472.8900  853.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  464.7800  841.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  450.5100  824.3700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  482.2800  874.7500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  437.7200  817.3800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  451.2300  838.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  469.7800  867.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  483.1900  888.8400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  425.1800  824.8900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  470.5400  896.8200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  438.5900  846.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  457.3100  875.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  425.9800  839.4400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  457.6500  890.2800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  435.5700  859.8400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  585.0100  975.0200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  435.4600  882.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  576.4300  986.6400    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  455.6000  897.4700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  495.8800  927.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  516.0100  942.0600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  556.2900  971.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  616.6800 1015.9800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  521.7900  955.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  441.2400  895.8600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  461.3800  910.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  481.5200  925.5800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  541.9300  970.1700    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  582.2100  999.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  602.3400 1014.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  622.4600 1029.4700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  533.3500  981.7900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  593.5000 1026.1000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  613.9700 1041.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  599.6300 1039.2900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  616.8100 1079.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  518.9900  980.1700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  539.1300  995.0400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  619.7000 1054.3400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  625.8500  950.9800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  631.3200 1007.1200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  632.5400 1057.0600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  625.6700  913.3700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  637.2400 1095.2500    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  632.3100  937.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  633.0600  962.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  638.1700  994.3900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  638.9200 1019.4100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  639.6800 1044.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  639.5100 1069.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  637.6200  905.5100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  639.9000  892.0300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  650.6600 1100.9600    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  647.1000  937.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  647.7300  962.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  653.3700 1019.8400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  654.1200 1044.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  654.4000 1069.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  654.4300 1114.1100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  654.6500  949.7500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  661.5400 1056.9300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  653.4800  888.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  655.0400  925.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  663.8200 1078.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  668.5400 1114.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  660.6100  901.6700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  660.3200  876.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  669.1800 1129.3500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  673.9200 1101.4500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  669.7700  974.1900    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  681.3200 1121.5100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  488.3100  834.2900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  474.7600  828.5800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  487.0300  848.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  444.0400  870.9900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  504.4600  915.5700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  564.8700  960.1600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  536.1500  956.9200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  596.5700 1001.5100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  475.7400  912.3400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  421.1000  881.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  501.6500  940.4400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  562.0700  985.0300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  452.8000  922.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  513.2100  966.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  573.6300 1011.5200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  611.0800 1065.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  608.1900 1090.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  627.0100 1105.4500    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  622.3800  926.1200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  625.8600  975.4300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  631.1600 1080.8700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  632.0800 1032.1400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  624.9000  898.6600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  639.8300 1110.5300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  652.3600  911.2900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  655.3300  974.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  660.9700 1032.1300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  660.9700 1091.6600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  669.2000  928.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  677.5700 1073.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   91.6900  706.3500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
   70.5700  689.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   55.3000  686.1200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
   74.3000  675.4100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  674.7100  875.5400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  681.3200  862.7500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  673.5500  850.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  659.1700  851.2900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  652.5500  864.0800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  677.2800  836.7100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  667.1000  826.5300    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 88  2  0  0  0  0
  2 93  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 89  1  6  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 90  1  6  0  0  0
  5 11  1  0  0  0  0
  5 91  1  1  0  0  0
  6 12  1  0  0  0  0
  6 92  1  6  0  0  0
  7 14  1  0  0  0  0
  7 93  1  1  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 95  2  0  0  0  0
 10101  1  0  0  0  0
 11 99  1  0  0  0  0
 11102  1  0  0  0  0
 12 16  1  6  0  0  0
 12 99  1  0  0  0  0
 13 22  1  1  0  0  0
 13 97  1  0  0  0  0
 13100  1  0  0  0  0
 14 17  1  0  0  0  0
 14100  1  0  0  0  0
 14103  1  1  0  0  0
 15 17  1  0  0  0  0
 15 19  1  0  0  0  0
 15 94  1  6  0  0  0
 16 97  1  0  0  0  0
 17104  1  6  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 96  1  6  0  0  0
 19 98  1  0  0  0  0
 20 26  1  0  0  0  0
 20101  1  1  0  0  0
 21 27  1  0  0  0  0
 21102  1  1  0  0  0
 22106  2  0  0  0  0
 22153  1  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 24108  1  0  0  0  0
 25107  1  0  0  0  0
 26110  1  6  0  0  0
 26111  1  0  0  0  0
 27 31  1  6  0  0  0
 27111  1  0  0  0  0
 28107  1  0  0  0  0
 29 34  1  0  0  0  0
 29108  1  0  0  0  0
 30 32  1  0  0  0  0
 30112  1  0  0  0  0
 31113  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
 33105  1  6  0  0  0
 34112  1  0  0  0  0
 35 38  1  0  0  0  0
 35109  1  1  0  0  0
 36 37  1  0  0  0  0
 36110  1  6  0  0  0
 37116  1  0  0  0  0
 37117  1  0  0  0  0
 38 39  1  6  0  0  0
 38116  1  0  0  0  0
 39115  1  0  0  0  0
 40 42  1  0  0  0  0
 40 43  1  0  0  0  0
 40114  1  6  0  0  0
 41 44  1  0  0  0  0
 42 50  1  0  0  0  0
 42118  1  1  0  0  0
 43 49  1  0  0  0  0
 43120  1  6  0  0  0
 44121  2  0  0  0  0
 44126  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
 45117  1  1  0  0  0
 46 57  2  0  0  0  0
 46122  1  0  0  0  0
 47 54  1  0  0  0  0
 47123  1  6  0  0  0
 48 52  1  0  0  0  0
 49 53  1  6  0  0  0
 49129  1  0  0  0  0
 50128  1  6  0  0  0
 50129  1  0  0  0  0
 51 55  1  0  0  0  0
 51 56  1  0  0  0  0
 51119  1  1  0  0  0
 52124  2  0  0  0  0
 52131  1  0  0  0  0
 53125  1  0  0  0  0
 54 58  1  1  0  0  0
 54130  1  0  0  0  0
 55 60  1  0  0  0  0
 55126  1  6  0  0  0
 56 61  1  0  0  0  0
 56128  1  6  0  0  0
 57130  1  0  0  0  0
 57132  1  0  0  0  0
 58134  1  0  0  0  0
 59 62  1  0  0  0  0
 59 63  1  0  0  0  0
 59127  1  1  0  0  0
 60135  1  0  0  0  0
 60136  1  0  0  0  0
 61 65  1  1  0  0  0
 61136  1  0  0  0  0
 62 67  1  0  0  0  0
 62131  1  6  0  0  0
 63 68  1  0  0  0  0
 63132  1  6  0  0  0
 64 66  1  0  0  0  0
 65138  1  0  0  0  0
 66133  2  0  0  0  0
 66139  1  0  0  0  0
 67140  1  0  0  0  0
 67141  1  1  0  0  0
 68 69  1  1  0  0  0
 68140  1  0  0  0  0
 69144  1  0  0  0  0
 70 71  1  0  0  0  0
 70134  1  6  0  0  0
 70142  1  0  0  0  0
 71 75  1  0  0  0  0
 71135  1  1  0  0  0
 72 73  1  0  0  0  0
 72 74  1  0  0  0  0
 72137  1  0  0  0  0
 73 77  1  0  0  0  0
 73139  1  1  0  0  0
 74 76  1  0  0  0  0
 74141  1  1  0  0  0
 75 79  1  0  0  0  0
 75143  1  1  0  0  0
 76 80  1  6  0  0  0
 76146  1  0  0  0  0
 77146  1  0  0  0  0
 77255  1  6  0  0  0
 78 79  1  0  0  0  0
 78 81  1  1  0  0  0
 78142  1  0  0  0  0
 79149  1  6  0  0  0
 80150  1  0  0  0  0
 81148  1  0  0  0  0
 82 83  1  0  0  0  0
 82 84  1  0  0  0  0
 82145  1  6  0  0  0
 83 85  1  0  0  0  0
 83147  1  1  0  0  0
 84150  1  6  0  0  0
 84152  1  0  0  0  0
 85 86  1  0  0  0  0
 85151  1  1  0  0  0
 86 87  1  1  0  0  0
 86152  1  0  0  0  0
153 32  1  0  0  0  0
154155  2  0  0  0  0
154160  1  0  0  0  0
154227  1  0  0  0  0
155159  1  0  0  0  0
155226  1  0  0  0  0
156158  2  0  0  0  0
156159  1  0  0  0  0
157160  1  0  0  0  0
157161  2  0  0  0  0
158162  1  0  0  0  0
159164  2  0  0  0  0
160165  2  0  0  0  0
161163  1  0  0  0  0
162166  2  0  0  0  0
163167  2  0  0  0  0
164166  1  0  0  0  0
164168  1  0  0  0  0
165167  1  0  0  0  0
165228  1  0  0  0  0
168228  1  0  0  0  0
170178  1  0  0  0  0
170228  1  0  0  0  0
170234  2  0  0  0  0
171169  1  6  0  0  0
171182  1  0  0  0  0
171236  1  0  0  0  0
172178  1  0  0  0  0
172179  1  0  0  0  0
173180  1  0  0  0  0
173229  2  0  0  0  0
173235  1  0  0  0  0
174177  1  0  0  0  0
174235  1  0  0  0  0
175230  2  0  0  0  0
175236  1  0  0  0  0
176183  2  0  0  0  0
176184  1  0  0  0  0
177231  1  0  0  0  0
177238  2  0  0  0  0
179233  1  0  0  0  0
179237  2  0  0  0  0
180233  1  0  0  0  0
181175  1  1  0  0  0
181185  1  0  0  0  0
181231  1  0  0  0  0
182232  1  0  0  0  0
182239  2  0  0  0  0
183186  1  0  0  0  0
183232  1  0  0  0  0
184187  2  0  0  0  0
185190  1  0  0  0  0
185191  1  0  0  0  0
186188  2  0  0  0  0
187188  1  0  0  0  0
187192  1  0  0  0  0
189240  1  0  0  0  0
189241  2  0  0  0  0
189245  1  0  0  0  0
192240  1  0  0  0  0
193198  1  0  0  0  0
193199  2  0  0  0  0
194200  1  0  0  0  0
194201  1  0  0  0  0
195202  2  0  0  0  0
195203  1  0  0  0  0
196204  1  0  0  0  0
196243  1  0  0  0  0
197206  1  0  0  0  0
197242  1  0  0  0  0
197245  1  0  0  0  0
198207  2  0  0  0  0
198243  1  0  0  0  0
199208  1  0  0  0  0
199244  1  0  0  0  0
201246  1  0  0  0  0
202210  1  0  0  0  0
202246  1  0  0  0  0
203211  2  0  0  0  0
203245  1  0  0  0  0
204205  1  0  0  0  0
204247  1  1  0  0  0
204249  1  0  0  0  0
205215  1  0  0  0  0
206212  1  0  0  0  0
206248  1  6  0  0  0
206252  1  0  0  0  0
207213  1  0  0  0  0
207216  1  0  0  0  0
208213  2  0  0  0  0
208250  1  0  0  0  0
209251  1  0  0  0  0
210214  2  0  0  0  0
210251  1  0  0  0  0
211214  1  0  0  0  0
211217  1  0  0  0  0
212218  1  0  0  0  0
215219  2  0  0  0  0
215220  1  0  0  0  0
216249  1  0  0  0  0
216253  2  0  0  0  0
217252  1  0  0  0  0
217254  2  0  0  0  0
218221  1  0  0  0  0
218222  1  0  0  0  0
218224  1  0  0  0  0
219249  1  0  0  0  0
220259  1  0  0  0  0
221224  1  0  0  0  0
222252  1  0  0  0  0
223250  1  0  0  0  0
225226  1  0  0  0  0
225227  2  0  0  0  0
226 23  1  0  0  0  0
244200  1  0  0  0  0
255256  1  0  0  0  0
256257  1  0  0  0  0
258256  2  0  0  0  0
259260  2  0  0  0  0
260261  1  0  0  0  0
261262  2  0  0  0  0
262263  1  0  0  0  0
263220  2  0  0  0  0
264261  1  0  0  0  0
264265  1  0  0  0  0
M  END
>  <Formula>
C166H3N20O76

$$$$
