WS0097
 OpenBabel09292510192D

164172  0  0  1  0  0  0  0  0999 V2000
  353.3500   97.4300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  378.2100   97.4200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  427.9200   97.4100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  452.7700   97.4100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  502.4800   97.4000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  527.3400   97.4000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  577.0500   97.3900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  340.9300  104.6000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  390.6400  104.5900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  415.4900  104.5900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  465.2000  104.5800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  490.0600  104.5800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  539.7700  104.5700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  564.6200  104.5700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  589.4800  118.9100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  142.0900  118.9800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  166.9400  118.9800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  216.6500  118.9700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  241.5100  118.9700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  291.2200  118.9600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  316.0700  118.9600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  440.3500  118.9400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  465.2000  118.9300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  514.9100  118.9200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  539.7700  118.9200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  179.3700  126.1500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  204.2300  126.1500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  253.9400  126.1400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  278.7900  126.1400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  328.5000  126.1300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  427.9200  126.1100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  477.6300  126.1100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  502.4900  126.1000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  552.2000  126.0900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  577.0500  126.0900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  476.9300  327.3100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  129.6600  126.1600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  403.0700  126.1200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  467.1400  381.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  470.1800  353.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  471.8300  314.1500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  467.7700  338.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  154.5200  140.5100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  179.3700  140.5000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  229.0800  140.5000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  455.8900  372.3900    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  451.0400  399.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  253.9400  140.4900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  303.6500  140.4800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  328.5000  140.4800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  376.2400  136.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  470.3600  238.4900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  142.0900  147.6800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  191.8000  147.6800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  216.6600  147.6700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  458.1200  311.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  453.5800  336.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  266.3700  147.6600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  291.2200  147.6600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  340.9300  147.6500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  366.2300  146.8100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  447.0400  348.5900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  442.6600  377.7300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  440.6300  390.0800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  390.4400  138.5700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  465.4500  224.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  461.5000  249.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  457.3200  273.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  453.1400  298.4400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  448.6900  323.1200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  304.0900  189.7500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  372.7700  160.9300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  395.7700  151.8900    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  281.1700  199.3800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  418.8500  142.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  438.3800  158.0300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  454.6500  197.9900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  451.2800  222.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  447.3900  246.8500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  295.4100  201.1800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  364.1900  172.2800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  452.5800  160.0800    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  449.2200  184.7100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  445.8500  209.3300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  386.9000  163.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  442.6200  234.3500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  142.1400  275.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  300.9700  214.4100    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  461.4600  148.8000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  163.6100  271.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  369.7100  185.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  392.4200  176.4200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  441.9300  133.4300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  186.9900  262.7100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  209.3100  252.9300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  232.2300  243.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  278.0600  224.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  346.8000  195.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.8000  273.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6400  264.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  246.4700  245.1000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  269.3800  235.4700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  315.2100  216.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  338.1200  206.5800    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  384.1100  187.3000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  456.1300  135.4800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  205.9100  277.1100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  183.3200  287.1600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  343.6800  219.8100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  197.3700  288.6400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  403.0600   97.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  477.6300   97.4100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  552.1900   97.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  365.7800  104.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  440.3500  104.5900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  514.9100  104.5700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  589.4700  104.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  482.4600  360.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  480.5800  376.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8000  118.9800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  266.3600  118.9600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  340.9300  118.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  415.4900  118.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  490.0600  118.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  564.6200  118.9200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  154.5200  126.1600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  229.0800  126.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  303.6500  126.1300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  452.7800  126.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  527.3400  126.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  464.5600  397.4500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  369.5500  123.8300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  466.4800  262.9000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  462.3000  287.4000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  458.1100  358.2100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.2300  140.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  446.9600  413.7100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  129.6600  140.5100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  278.7900  140.4900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  353.3600  140.4800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  474.6000  213.8400    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  166.9500  147.6800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  241.5100  147.6700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  316.0800  147.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  413.5200  129.3400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  458.0100  173.3700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  443.1700  271.5300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  142.2200  261.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  156.6600  258.7800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  272.5000  210.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  433.0500  144.7100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.6700  230.0700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  341.2400  181.9200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  409.9700  153.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  129.7200  282.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  255.1400  233.6700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  323.8800  204.7800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  153.3800  281.7300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.5500  254.7300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  292.2900  225.8400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  361.0300  196.9500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  320.7700  229.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  355.4100  126.2700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  117.2500  275.3000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1114  1  0  0  0  0
  2  9  1  0  0  0  0
  2114  1  0  0  0  0
  3 10  1  0  0  0  0
  3115  1  0  0  0  0
  4 11  1  0  0  0  0
  4115  1  0  0  0  0
  5 12  1  0  0  0  0
  5116  1  0  0  0  0
  6 13  1  0  0  0  0
  6116  1  0  0  0  0
  7 14  1  0  0  0  0
  7117  1  0  0  0  0
  8122  1  0  0  0  0
  9111  1  0  0  0  0
 10111  1  0  0  0  0
 11112  1  0  0  0  0
 12112  1  0  0  0  0
 13113  1  0  0  0  0
 14113  1  0  0  0  0
 15 35  1  0  0  0  0
 15117  1  0  0  0  0
 16 37  1  0  0  0  0
 16126  1  0  0  0  0
 17 26  1  0  0  0  0
 17126  1  0  0  0  0
 18 27  1  0  0  0  0
 18127  1  0  0  0  0
 19 28  1  0  0  0  0
 19127  1  0  0  0  0
 20 29  1  0  0  0  0
 20128  1  0  0  0  0
 21 30  1  0  0  0  0
 21128  1  0  0  0  0
 22 31  1  0  0  0  0
 22129  1  0  0  0  0
 23 32  1  0  0  0  0
 23129  1  0  0  0  0
 24 33  1  0  0  0  0
 24130  1  0  0  0  0
 25 34  1  0  0  0  0
 25130  1  0  0  0  0
 26120  1  0  0  0  0
 27120  1  0  0  0  0
 28121  1  0  0  0  0
 29121  1  0  0  0  0
 30122  1  0  0  0  0
 31123  1  0  0  0  0
 32124  1  0  0  0  0
 33124  1  0  0  0  0
 34125  1  0  0  0  0
 35125  1  0  0  0  0
 36 41  1  0  0  0  0
 36 42  2  0  0  0  0
 37138  1  0  0  0  0
 38123  1  0  0  0  0
 39 46  1  0  0  0  0
 39119  2  0  0  0  0
 39131  1  0  0  0  0
 40 42  1  0  0  0  0
 40118  2  0  0  0  0
 40135  1  0  0  0  0
 41 56  2  0  0  0  0
 42 57  1  0  0  0  0
 43 53  1  0  0  0  0
 43142  1  0  0  0  0
 44 54  1  0  0  0  0
 44142  1  0  0  0  0
 45 55  1  0  0  0  0
 45143  1  0  0  0  0
 46 63  1  0  0  0  0
 46135  1  0  0  0  0
 47 64  1  0  0  0  0
 47131  1  0  0  0  0
 47137  2  0  0  0  0
 48 58  1  0  0  0  0
 48143  1  0  0  0  0
 49 59  1  0  0  0  0
 49144  1  0  0  0  0
 50 60  1  0  0  0  0
 50144  1  0  0  0  0
 51 61  2  0  0  0  0
 51 65  1  0  0  0  0
 51132  1  0  0  0  0
 52 66  2  0  0  0  0
 52 67  1  0  0  0  0
 53138  1  0  0  0  0
 54136  1  0  0  0  0
 55136  1  0  0  0  0
 56 69  1  0  0  0  0
 56 70  1  0  0  0  0
 57 62  1  0  0  0  0
 57 70  2  0  0  0  0
 58139  1  0  0  0  0
 59139  1  0  0  0  0
 60140  1  0  0  0  0
 61140  1  0  0  0  0
 62135  1  0  0  0  0
 63 64  1  0  0  0  0
 65 73  1  0  0  0  0
 66 78  1  0  0  0  0
 66141  1  0  0  0  0
 67 79  2  0  0  0  0
 67133  1  0  0  0  0
 68133  1  0  0  0  0
 68134  1  0  0  0  0
 68147  2  0  0  0  0
 69134  1  0  0  0  0
 71 80  1  0  0  0  0
 72 81  1  0  0  0  0
 72 85  2  0  0  0  0
 73 85  1  0  0  0  0
 73154  1  0  0  0  0
 74 80  1  0  0  0  0
 75145  2  0  0  0  0
 75151  1  0  0  0  0
 75154  1  0  0  0  0
 76 82  1  0  0  0  0
 76151  1  0  0  0  0
 77 83  1  0  0  0  0
 77 84  1  0  0  0  0
 78 84  1  0  0  0  0
 78 86  2  0  0  0  0
 79 86  1  0  0  0  0
 81 91  2  0  0  0  0
 82 89  1  0  0  0  0
 82146  1  1  0  0  0
 83146  1  0  0  0  0
 85 92  1  0  0  0  0
 87148  2  0  0  0  0
 87155  1  0  0  0  0
 87158  1  0  0  0  0
 88 80  1  6  0  0  0
 88103  1  0  0  0  0
 88160  1  0  0  0  0
 89106  1  0  0  0  0
 90 99  1  0  0  0  0
 90149  2  0  0  0  0
 90158  1  0  0  0  0
 91105  1  0  0  0  0
 91161  1  0  0  0  0
 92105  2  0  0  0  0
 93106  1  0  0  0  0
 93151  1  0  0  0  0
 94 99  2  0  0  0  0
 94100  1  0  0  0  0
 95100  1  0  0  0  0
 95159  1  0  0  0  0
 96101  1  0  0  0  0
 96152  2  0  0  0  0
 96159  1  0  0  0  0
 97102  1  0  0  0  0
 97150  2  0  0  0  0
 97160  1  0  0  0  0
 98104  1  0  0  0  0
 98153  2  0  0  0  0
 98161  1  0  0  0  0
 99108  1  0  0  0  0
100107  2  0  0  0  0
101156  1  0  0  0  0
102156  1  0  0  0  0
103157  1  0  0  0  0
103162  2  0  0  0  0
104109  1  1  0  0  0
104157  1  0  0  0  0
107110  1  0  0  0  0
108110  2  0  0  0  0
140163  1  0  0  0  0
148149  1  0  0  0  0
155164  1  0  0  0  0
163132  2  0  0  0  0
M  END
>  <Formula>
C111ClN14O37S

$$$$
