cxy0274
 OpenBabel09292510182D

 76 82  0  0  1  0  0  0  0  0999 V2000
  444.4900   38.7900    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  423.7300   45.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  443.0600   53.3700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  401.1900   56.6800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  430.2400   58.7800    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  407.7100   69.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  421.9600   70.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  399.4300   80.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  428.0300   82.7500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  419.5300   94.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  106.9500   98.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  131.5800  100.3100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  399.4300  105.9400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  246.0100  108.4800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  422.7300  108.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0500  108.4800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  130.9200  114.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  232.7500  115.3300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  410.1400  114.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  117.9900  120.6300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  144.0600  121.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  157.3100  128.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  233.2000  129.2500    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  410.9200  128.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  435.9900  128.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3900  129.9100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  208.7900  129.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  283.2300  129.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  309.7400  129.2500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  385.5100  129.5800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  448.8000  135.6500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  246.3400  135.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  271.0800  135.9800    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  322.5500  136.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  347.6200  136.4300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  373.0300  136.4300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  423.4000  135.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  169.9100  137.0900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  195.2000  137.0900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  398.7600  136.4300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  271.0800  150.3400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  423.4000  149.5700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  448.8000  149.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  283.5600  157.0800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  436.6500  156.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  283.2300  171.1100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  454.2100  171.1100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  296.4800  178.1800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  271.0800  192.2100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  321.8900  192.5400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  334.0400  199.2700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  257.8300  199.7200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  283.8900  199.2700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  308.9700  199.2700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  431.2400   34.2600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  408.6000   44.6400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  444.8200   66.6200    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  383.7400   78.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   72.3800   89.3700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
   94.0200   90.9200    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  119.2100   92.5800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  404.6200   93.2400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  104.9600  112.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.2400  114.8900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  282.4600  114.8900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  434.8800  114.7800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  257.8300  125.2700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  334.0400  125.2700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  359.2200  129.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.2700  140.1800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  295.6000  140.2900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  245.3400  150.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  321.3400  150.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  458.8500  158.4100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  438.6400  170.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  295.3800  192.5400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 55  2  0  0  0  0
  2 56  1  0  0  0  0
  4  6  1  0  0  0  0
  4 56  1  0  0  0  0
  5  3  1  0  0  0  0
  5  7  1  0  0  0  0
  5 57  1  6  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 58  2  0  0  0  0
  8 62  1  0  0  0  0
  9 10  2  0  0  0  0
 10 15  1  0  0  0  0
 10 62  1  0  0  0  0
 11 60  1  0  0  0  0
 11 61  2  0  0  0  0
 11 63  1  0  0  0  0
 12 17  2  0  0  0  0
 12 61  1  0  0  0  0
 13 19  1  0  0  0  0
 13 62  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 66  2  0  0  0  0
 16 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 19 24  2  0  0  0  0
 20 63  2  0  0  0  0
 21 22  3  0  0  0  0
 22 38  1  0  0  0  0
 23 18  1  6  0  0  0
 23 32  1  0  0  0  0
 23 70  1  0  0  0  0
 24 37  1  0  0  0  0
 24 40  1  0  0  0  0
 25 31  2  0  0  0  0
 25 37  1  0  0  0  0
 25 66  1  0  0  0  0
 26 38  1  0  0  0  0
 26 39  1  0  0  0  0
 27 39  1  0  0  0  0
 27 64  2  0  0  0  0
 27 70  1  0  0  0  0
 28 33  1  0  0  0  0
 28 65  2  0  0  0  0
 28 71  1  0  0  0  0
 29 34  1  0  0  0  0
 29 71  1  0  0  0  0
 30 36  1  0  0  0  0
 30 40  1  0  0  0  0
 31 43  1  0  0  0  0
 32 67  1  0  0  0  0
 32 72  2  0  0  0  0
 33 41  1  1  0  0  0
 33 67  1  0  0  0  0
 34 68  1  0  0  0  0
 34 73  2  0  0  0  0
 35 68  1  0  0  0  0
 35 69  1  0  0  0  0
 36 69  1  0  0  0  0
 37 42  2  0  0  0  0
 41 44  1  0  0  0  0
 42 45  1  0  0  0  0
 43 45  2  0  0  0  0
 43 74  1  0  0  0  0
 44 46  1  0  0  0  0
 45 75  1  0  0  0  0
 46 48  1  0  0  0  0
 47 74  1  0  0  0  0
 47 75  1  0  0  0  0
 48 76  1  0  0  0  0
 49 52  1  0  0  0  0
 49 53  1  0  0  0  0
 50 51  1  0  0  0  0
 50 54  1  0  0  0  0
 53 76  1  0  0  0  0
 54 76  1  0  0  0  0
 59 60  1  0  0  0  0
M  END
>  <Formula>
C55N9O11S

$$$$
