HMPAY0559
 OpenBabel09292510482D

 66  3  0  0  0  0  0  0  0  0999 V2000
  429.2500   99.4700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  429.2500  113.8700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  441.7200  121.0700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  454.1900  113.8700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  454.1900   99.4700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  441.7200   92.2700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  416.7800   92.2700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  404.3100   99.4700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  404.3100  113.8700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  416.7800  121.0700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  391.8400   92.2700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  379.3600   99.4700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  379.3600  113.8700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  391.8400  121.0700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  366.8900  121.0700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  388.1100  134.9800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  374.2000  131.2500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  364.0200  141.4300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  354.4200  113.8700    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  340.5100  117.5900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  340.5100  131.9900    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  367.4500   98.8700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  377.6300   88.6900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  370.4300   76.2100    0.0000 Br  0  0  0  0  0 15  0  0  0  0  0  0
  357.2700   88.6900    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  343.3600   84.9600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  343.3600   70.5600    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  355.8300   63.3600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  330.8900   63.3600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  369.7400   67.0900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  382.2100   59.8900    0.0000 S   0  0  0  0  0 15  0  0  0  0  0  0
  392.3900   70.0700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  392.3900   49.7000    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  372.0200   49.7000    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  374.2000  145.6500    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  364.0200  155.8300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  328.0400  110.3900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  324.3200   96.4900    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  315.5700  117.5900    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  315.5700  131.9900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  334.5000   86.3000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  318.4100   70.5600    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  305.9400   63.3600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  293.4700   70.5600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  281.0000   63.3600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  268.5300   70.5600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  268.5300   84.9600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  281.0000   92.1600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  293.4700   84.9600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  256.0600   92.1600    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  330.8900   48.9600    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  243.5900   84.9600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  231.1200   92.1600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  243.5900   70.5600    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  218.6500   84.9600    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  206.1800   92.1600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  193.7100   84.9600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  181.2400   92.1600    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  168.7700   84.9600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  156.2900   92.1600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  231.1200  106.5600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  206.1800  106.5600    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  193.7100   70.5600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  181.2800   63.3800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  206.1300   63.3800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  193.7100   84.9100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
 63 64  1  0  0  0  0
 63 65  1  0  0  0  0
 66 63  1  0  0  0  0
M  END
>  <Formula>
C48BrN4O12S

$$$$
HMPAY0559
 OpenBabel09292510483D

 22 14  0  0  0  0  0  0  0  0999 V2000
  193.7100   84.9100    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
  168.7700   70.5600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  146.1100   81.9800    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  156.2900  106.5600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  146.1100  116.7400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  146.1100  131.1400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  133.6400  138.3400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  133.6400  152.7400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  146.1100  159.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  158.5800  152.7400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  171.0500  159.9400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  183.5200  152.7400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0000  159.9400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  208.4700  152.7400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  146.1100  174.3400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.9400  159.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  233.4100  152.7400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  441.7200  135.4700    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  416.7800   77.8700    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  429.2500   70.6700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  416.7800  135.4700    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  383.0900   85.5600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Formula>
C13N2O6

$$$$
