WS0076
 OpenBabel09292510192D

 85 91  0  0  1  0  0  0  0  0999 V2000
  568.6000  261.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  556.1800  283.1500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  556.1800  297.5000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  543.7500  304.6800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  543.7500  319.0300    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  594.1200  319.5200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  669.0300  319.8500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  556.1800  326.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  581.0300  326.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  680.9400  326.9200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  605.8800  326.5800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  655.9200  326.5500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  531.3200  340.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  581.1500  340.5200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  431.9000  340.5500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  456.7600  340.5500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  481.6100  340.5500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  605.6700  340.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  681.0700  341.2700    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  705.9200  341.2700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  730.7800  341.2700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  755.7600  341.5000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  406.8800  341.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  518.8900  347.7300    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  444.3300  347.7300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  469.1800  347.7300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  494.0400  347.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  618.1000  348.0600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  642.9500  348.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  668.6200  348.3100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  718.3500  348.4400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  743.2000  348.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  768.1300  349.0900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  593.3500  348.2500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  397.9400  352.5200    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  418.9200  362.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  767.9400  363.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  518.8900  362.0800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  743.3400  363.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  792.8000  363.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  817.6500  363.2000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  842.9300  363.4500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  897.5300  366.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  405.1900  364.9100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  868.8900  366.8700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  506.4700  369.2500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  531.3200  369.2500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  755.7100  370.4700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  830.0800  370.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  855.4300  371.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  890.8500  378.6300    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  919.3300  379.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  829.7300  384.7200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  855.4300  385.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  868.3300  389.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  897.9700  391.3700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  912.3200  391.5000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  842.2200  392.5900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  556.1800  254.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  581.0300  254.4500    0.0000 N   0  0  0  0  0  1  0  0  0  0  0  0
  568.6000  275.9800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  568.6000  319.0300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  531.3200  326.2000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  403.8800  327.0900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  506.4700  340.5500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  630.5200  340.8900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  655.3800  340.8900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  556.1800  340.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  419.4700  347.7300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  693.4900  348.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  792.8000  348.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  543.7500  347.7300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  890.3500  354.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  642.9500  362.4100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  494.0400  362.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  915.3200  366.8300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  730.9100  370.3800    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  780.3700  370.3700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  805.2300  370.3700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  429.8300  371.4300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  876.5000  378.6300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  933.6000  380.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  872.4600  403.5200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  383.5800  351.5500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  371.1100  344.3500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  1 59  2  0  0  0  0
  1 60  1  0  0  0  0
  1 61  1  0  0  0  0
  2  3  1  0  0  0  0
  2 61  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  8  1  0  0  0  0
  5 63  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8 62  1  0  0  0  0
  8 68  2  0  0  0  0
  9 14  2  0  0  0  0
  9 62  1  0  0  0  0
 10 19  1  0  0  0  0
 11 18  1  0  0  0  0
 12 67  1  0  0  0  0
 13 63  1  0  0  0  0
 13 72  2  0  0  0  0
 14 34  1  0  0  0  0
 15 25  1  0  0  0  0
 15 69  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 18 34  2  0  0  0  0
 19 30  1  0  0  0  0
 19 70  1  0  0  0  0
 20 31  1  0  0  0  0
 20 70  1  0  0  0  0
 21 31  1  0  0  0  0
 21 32  1  0  0  0  0
 22 32  2  0  0  0  0
 22 33  1  0  0  0  0
 23 35  1  0  0  0  0
 23 64  2  0  0  0  0
 23 69  1  0  0  0  0
 24 13  1  1  0  0  0
 24 38  1  0  0  0  0
 24 65  1  0  0  0  0
 27 65  1  0  0  0  0
 27 75  2  0  0  0  0
 28 66  1  0  0  0  0
 29 66  1  0  0  0  0
 29 67  1  0  0  0  0
 29 74  2  0  0  0  0
 30 67  1  0  0  0  0
 32 39  1  0  0  0  0
 33 37  2  0  0  0  0
 35 44  1  0  0  0  0
 35 84  1  0  0  0  0
 36 44  1  0  0  0  0
 36 69  1  0  0  0  0
 36 80  2  0  0  0  0
 37 48  1  0  0  0  0
 37 78  1  0  0  0  0
 38 46  1  0  0  0  0
 38 47  1  0  0  0  0
 39 48  2  0  0  0  0
 39 77  1  0  0  0  0
 40 71  2  0  0  0  0
 40 78  1  0  0  0  0
 40 79  1  0  0  0  0
 41 49  1  0  0  0  0
 41 79  1  0  0  0  0
 42 49  1  0  0  0  0
 42 50  2  0  0  0  0
 43 51  1  0  0  0  0
 43 73  2  0  0  0  0
 43 76  1  0  0  0  0
 45 50  1  0  0  0  0
 45 81  1  0  0  0  0
 49 53  2  0  0  0  0
 50 54  1  0  0  0  0
 51 56  1  0  0  0  0
 51 81  1  0  0  0  0
 52 57  1  0  0  0  0
 52 76  1  0  0  0  0
 52 82  2  0  0  0  0
 53 58  1  0  0  0  0
 54 55  1  0  0  0  0
 54 58  2  0  0  0  0
 55 81  1  0  0  0  0
 55 83  2  0  0  0  0
 56 57  1  0  0  0  0
 84 85  1  0  0  0  0
M  END
>  <Formula>
C59ClN11O13S

$$$$
