WS0068
 OpenBabel09292510192D

 77 83  0  0  1  0  0  0  0  0999 V2000
  743.2700  291.6900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  799.3000  293.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  769.3400  294.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  730.8400  298.8600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  755.6900  298.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  820.8300  306.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  792.1300  306.0400    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  730.8400  313.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  755.6900  313.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  656.2700  313.2100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  452.2900  316.1800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  769.3400  317.6500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  813.6500  318.4600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  799.3000  318.4600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  643.8500  320.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  668.7000  320.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  693.5600  320.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  718.4100  320.3900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  743.2700  320.3900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  452.2900  330.5300    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  328.0100  330.5300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  352.8700  330.5300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  377.7200  330.5300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  427.4300  330.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  502.0000  330.5300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  302.4800  331.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  618.9900  334.7400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  643.8500  334.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  668.7000  334.7400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  390.1500  337.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  415.0100  337.7100    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  464.7200  337.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  489.5700  337.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  514.4200  337.7100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  340.4400  337.7100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  365.3000  337.7100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  567.8500  338.2000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  581.7100  341.9100    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  606.5600  341.9100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  631.4200  341.9100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  656.2700  341.9100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  292.8700  342.5400    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  314.0900  351.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  415.0100  352.0600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  489.5700  352.0600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  514.4200  352.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  300.0500  354.9600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  578.0000  355.7700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  402.5800  359.2300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  427.4300  359.2300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  502.0000  359.2300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  526.8500  359.2300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  551.7100  359.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  773.7800  280.7800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  792.1300  281.1800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  813.6500  293.6100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  681.1300  313.2100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  705.9800  313.2100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  777.7800  306.0400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  835.1800  306.0400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  631.4200  313.2100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  427.4300  316.1800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  299.4900  317.8400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  402.5800  330.5300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  477.1400  330.5300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  594.1400  334.7400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  693.5600  334.7400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  315.5900  337.7100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  439.8600  337.7100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  390.1500  352.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  464.7200  352.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  539.2800  352.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  564.1300  352.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  324.7500  361.5800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  551.7100  373.5800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  278.5500  341.0300    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  266.0800  333.8300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2  7  1  0  0  0  0
  2 55  2  0  0  0  0
  2 56  1  0  0  0  0
  3  5  1  0  0  0  0
  3 54  2  0  0  0  0
  3 59  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 13  1  0  0  0  0
  6 56  1  0  0  0  0
  6 60  2  0  0  0  0
  7 14  1  0  0  0  0
  7 59  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 12  1  0  0  0  0
  9 19  2  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 12 59  1  0  0  0  0
 13 14  1  0  0  0  0
 15 28  1  0  0  0  0
 15 61  1  0  0  0  0
 16 29  2  0  0  0  0
 16 57  1  0  0  0  0
 17 57  1  0  0  0  0
 17 58  1  0  0  0  0
 17 67  2  0  0  0  0
 18 58  1  0  0  0  0
 20 11  1  6  0  0  0
 20 32  1  0  0  0  0
 20 69  1  0  0  0  0
 21 35  1  0  0  0  0
 21 68  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
 23 30  1  0  0  0  0
 23 36  1  0  0  0  0
 24 62  2  0  0  0  0
 24 69  1  0  0  0  0
 25 33  1  0  0  0  0
 25 34  2  0  0  0  0
 26 42  1  0  0  0  0
 26 63  2  0  0  0  0
 26 68  1  0  0  0  0
 27 39  1  0  0  0  0
 27 40  1  0  0  0  0
 28 40  1  0  0  0  0
 28 41  2  0  0  0  0
 29 41  1  0  0  0  0
 30 64  1  0  0  0  0
 30 70  2  0  0  0  0
 31 24  1  6  0  0  0
 31 44  1  0  0  0  0
 31 64  1  0  0  0  0
 32 65  1  0  0  0  0
 32 71  2  0  0  0  0
 33 45  2  0  0  0  0
 33 65  1  0  0  0  0
 34 46  1  0  0  0  0
 37 38  1  0  0  0  0
 37 73  1  0  0  0  0
 38 48  1  0  0  0  0
 38 66  1  0  0  0  0
 39 66  1  0  0  0  0
 42 47  1  0  0  0  0
 42 76  1  0  0  0  0
 43 47  1  0  0  0  0
 43 68  1  0  0  0  0
 43 74  2  0  0  0  0
 44 49  1  0  0  0  0
 44 50  1  0  0  0  0
 45 51  1  0  0  0  0
 46 51  2  0  0  0  0
 46 52  1  0  0  0  0
 48 73  1  0  0  0  0
 52 72  1  0  0  0  0
 53 72  1  0  0  0  0
 53 73  1  0  0  0  0
 53 75  2  0  0  0  0
 76 77  1  0  0  0  0
M  END
>  <Formula>
C54ClN9O12S

$$$$
