WS0104
 OpenBabel09292510192D

171179  0  0  1  0  0  0  0  0999 V2000
  481.5000  158.4100    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  506.0000  162.6100    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  530.5000  166.8000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  468.0400  163.3800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  492.5400  167.5800    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  517.0400  171.7800    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  452.1600  182.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.2600  150.4800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  229.2500  158.8700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  253.7500  163.0700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  302.7500  171.4600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  327.2400  175.6600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  376.2400  184.0500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  400.7400  188.2500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  425.2400  192.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  449.7300  196.6400    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  474.2300  200.8400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  523.2300  209.2400    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  547.7300  213.4300    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  563.6100  194.3100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  191.2900  159.6500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  215.7900  163.8500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  264.7900  172.2400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  289.2800  176.4400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  338.2800  184.8300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  362.7800  189.0300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  411.7800  197.4200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  460.7700  205.8200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  485.2700  210.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  509.7700  214.2100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  534.2700  218.4100    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  550.1500  199.2900    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  164.3700  169.6000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  651.9300  213.1100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  175.4100  178.7700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  199.9100  182.9700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  705.7300  215.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  677.8300  216.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  638.8200  220.0600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  663.9400  220.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4800  197.1100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  698.4400  227.8900    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  727.2300  228.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9800  201.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  270.9800  209.7000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  295.4800  213.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  344.4700  222.2900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  368.9700  226.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  415.7300  235.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  564.7600  234.7100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  663.9400  235.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  233.0200  210.4800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  257.5200  214.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  639.2500  234.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  306.5100  223.0700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  331.0100  227.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  380.0100  235.6600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  676.7000  239.3600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  402.9600  241.4500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  705.6500  240.3000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  719.9300  240.1500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  428.1500  242.9600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  552.3900  241.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  577.1200  241.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  601.9700  241.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  626.8300  241.8500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  651.6100  241.9800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  403.4800  257.3200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  304.0600  257.2900    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  428.1500  257.3100    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  453.0100  257.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  478.5100  257.2000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  527.5300  257.0000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  552.3900  257.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  577.1200  256.6600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  316.4900  264.4700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  391.3100  264.0600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  415.7300  264.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  515.1100  264.1700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  490.2500  264.1700    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  539.9600  264.1700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  565.0900  263.6800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  146.4600  274.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  167.5900  278.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1900  278.8600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  217.0700  278.8200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  291.6400  278.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  316.4900  278.8200    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  366.2000  278.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  415.8000  278.9200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  241.9300  278.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  391.0600  278.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  466.8000  278.8200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  490.4300  278.5200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  180.0200  285.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6400  285.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  254.3500  285.9900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  279.2100  285.9900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  328.9200  285.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  353.7700  285.9900    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  403.3100  285.9700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  478.5400  285.5700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  180.0200  300.9400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  204.6400  300.6100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  353.7700  300.3400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  192.1600  307.6900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  483.9200  144.2700    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  508.4200  148.4600    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  541.5300  175.9700    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  441.1200  173.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  465.6200  177.5300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  490.1200  181.7200    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  514.6100  185.9200    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  525.6500  195.0900    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  427.6600  178.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  558.7600  222.6000    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  498.7300  205.0400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  204.7500  154.6800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  278.2500  167.2700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  351.7400  179.8600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  240.2900  168.0400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  313.7800  180.6300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  387.2800  193.2300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  436.2700  201.6200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  574.6500  203.4800    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  166.7900  155.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  683.2500  203.1700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  698.5600  202.9100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.8700  173.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  482.8500  224.1600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  531.8400  232.5500    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  539.1100  190.1200    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  224.4100  187.1600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  297.9000  199.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  371.3900  212.3400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  722.4800  214.8300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  414.2000  221.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  246.4800  205.5000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  319.9700  218.0900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  589.5400  234.6700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  614.4000  234.6700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  684.0900  227.8900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  741.5000  229.7900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  393.4700  230.6800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  539.9600  234.6700    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  208.5200  206.2800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  282.0200  218.8700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  355.5100  231.4600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  453.0100  242.9600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  255.0900  228.8200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  328.5900  241.4100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  502.6800  257.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  601.9700  256.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  151.4700  261.7100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  165.7600  264.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  241.9300  264.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  291.6400  264.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  366.2000  264.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  440.5800  264.4800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  465.4400  264.4800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  341.3500  278.8200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  132.2400  276.2900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  266.7800  278.8200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  154.4100  284.4800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  229.5000  285.9900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  304.0600  285.9900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  378.6300  285.9900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  328.9200  300.3400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  328.9200  257.2900    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  400.3300  216.7200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  118.3300  272.5600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1107  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2108  1  1  0  0  0
  3  6  1  0  0  0  0
  3109  1  0  0  0  0
  4111  1  0  0  0  0
  5112  1  1  0  0  0
  6113  1  6  0  0  0
  7 16  1  0  0  0  0
  7110  2  0  0  0  0
  7111  1  0  0  0  0
  8 21  1  0  0  0  0
  8126  1  0  0  0  0
  9 22  1  0  0  0  0
  9121  1  0  0  0  0
 10 23  1  0  0  0  0
 10121  1  0  0  0  0
 11 24  1  0  0  0  0
 11122  1  0  0  0  0
 12 25  1  0  0  0  0
 12122  1  0  0  0  0
 13 26  1  0  0  0  0
 13123  1  0  0  0  0
 14 27  1  0  0  0  0
 14123  1  0  0  0  0
 15 27  1  0  0  0  0
 15115  2  0  0  0  0
 15124  1  0  0  0  0
 16 28  1  1  0  0  0
 16124  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18114  1  1  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19116  1  6  0  0  0
 20 32  1  0  0  0  0
 20125  1  0  0  0  0
 21118  1  0  0  0  0
 22118  1  0  0  0  0
 23119  1  0  0  0  0
 24119  1  0  0  0  0
 25120  1  0  0  0  0
 26120  1  0  0  0  0
 29117  1  0  0  0  0
 29130  2  0  0  0  0
 30117  1  0  0  0  0
 31131  1  1  0  0  0
 32132  1  1  0  0  0
 33 35  1  0  0  0  0
 33126  1  0  0  0  0
 34 39  1  0  0  0  0
 34 40  2  0  0  0  0
 35129  1  0  0  0  0
 36 41  1  0  0  0  0
 36129  1  0  0  0  0
 37 42  1  0  0  0  0
 37128  2  0  0  0  0
 37136  1  0  0  0  0
 38 40  1  0  0  0  0
 38127  2  0  0  0  0
 38142  1  0  0  0  0
 39 54  2  0  0  0  0
 40 51  1  0  0  0  0
 41146  1  0  0  0  0
 42 60  1  0  0  0  0
 42142  1  0  0  0  0
 43 61  1  0  0  0  0
 43136  1  0  0  0  0
 43143  2  0  0  0  0
 44 52  1  0  0  0  0
 44133  2  0  0  0  0
 44146  1  0  0  0  0
 45 53  1  0  0  0  0
 45147  1  0  0  0  0
 46 55  1  0  0  0  0
 46134  2  0  0  0  0
 46147  1  0  0  0  0
 47 56  1  0  0  0  0
 47148  1  0  0  0  0
 48 57  1  0  0  0  0
 48135  2  0  0  0  0
 48148  1  0  0  0  0
 49 59  2  0  0  0  0
 49 62  1  0  0  0  0
 49137  1  0  0  0  0
 50 63  2  0  0  0  0
 50 64  1  0  0  0  0
 51 58  1  0  0  0  0
 51 67  2  0  0  0  0
 52138  1  0  0  0  0
 53138  1  0  0  0  0
 53150  2  0  0  0  0
 54 66  1  0  0  0  0
 54 67  1  0  0  0  0
 55139  1  0  0  0  0
 56139  1  0  0  0  0
 56151  2  0  0  0  0
 57144  1  0  0  0  0
 58142  1  0  0  0  0
 59144  1  0  0  0  0
 60 61  1  0  0  0  0
 62 70  1  0  0  0  0
 63 74  1  0  0  0  0
 63145  1  0  0  0  0
 64 75  2  0  0  0  0
 64140  1  0  0  0  0
 65140  1  0  0  0  0
 65141  1  0  0  0  0
 65153  2  0  0  0  0
 66141  1  0  0  0  0
 68 77  1  0  0  0  0
 68 78  2  0  0  0  0
 69 76  1  0  0  0  0
 70 78  1  0  0  0  0
 70159  1  0  0  0  0
 71149  2  0  0  0  0
 71159  1  0  0  0  0
 71160  1  0  0  0  0
 72 80  1  0  0  0  0
 72160  1  0  0  0  0
 73 79  1  0  0  0  0
 73 81  1  0  0  0  0
 74 81  1  0  0  0  0
 74 82  2  0  0  0  0
 75 82  1  0  0  0  0
 76169  1  0  0  0  0
 77 92  2  0  0  0  0
 78 90  1  0  0  0  0
 79152  1  0  0  0  0
 80 94  1  0  0  0  0
 80152  1  6  0  0  0
 83154  2  0  0  0  0
 83162  1  0  0  0  0
 83164  1  0  0  0  0
 84 95  1  0  0  0  0
 84155  2  0  0  0  0
 84164  1  0  0  0  0
 85 95  2  0  0  0  0
 85 96  1  0  0  0  0
 86 96  1  0  0  0  0
 86165  1  0  0  0  0
 87 98  1  0  0  0  0
 87157  2  0  0  0  0
 87166  1  0  0  0  0
 88 76  1  6  0  0  0
 88 99  1  0  0  0  0
 88166  1  0  0  0  0
 89100  1  0  0  0  0
 89158  2  0  0  0  0
 89167  1  0  0  0  0
 90101  2  0  0  0  0
 91 97  1  0  0  0  0
 91156  2  0  0  0  0
 91165  1  0  0  0  0
 92101  1  0  0  0  0
 92167  1  0  0  0  0
 93102  1  0  0  0  0
 93160  1  0  0  0  0
 94102  1  0  0  0  0
 95103  1  0  0  0  0
 96104  2  0  0  0  0
 97163  1  0  0  0  0
 98163  1  0  0  0  0
 99161  1  0  0  0  0
 99168  2  0  0  0  0
100105  1  1  0  0  0
100161  1  0  0  0  0
103106  2  0  0  0  0
104106  1  0  0  0  0
144170  1  0  0  0  0
154155  1  0  0  0  0
162171  1  0  0  0  0
170137  2  0  0  0  0
M  END
>  <Formula>
C108N22O40S

$$$$
