cxy0335
 OpenBabel09292510182D

 82  3  0  0  0  0  0  0  0  0999 V2000
  501.3400  303.2700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  526.2800  303.2700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  576.1600  303.2700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  601.1100  303.2700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  653.9200  307.3600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  513.8100  310.4700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  588.6400  310.4700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  613.5800  310.4700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  640.0300  311.1700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  661.4900  320.4700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  513.8100  324.8700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  613.5800  324.8700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  488.8700  324.8700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  563.6900  324.8700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  588.6400  324.8700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  463.9300  324.8700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  413.6100  324.7100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  438.8600  324.8500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  388.6700  324.7100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  313.8400  324.7100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  338.7800  324.7100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  652.3400  330.9300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  288.9000  324.7100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  626.0500  332.0700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  526.2800  332.0700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  551.2200  332.0700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  601.1100  332.0700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  263.8700  326.2200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  451.4600  332.0700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  426.0800  331.9100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  376.2000  331.9100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  351.2500  331.9100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  326.3100  331.9100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  679.5600  338.5300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  301.3700  331.9100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  254.0300  336.7300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  655.4700  344.9900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  501.3400  346.4700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  551.2200  346.4700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  576.1600  346.4700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  450.9300  346.4600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  669.3800  348.7200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  426.3400  345.8900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  274.9700  346.7500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  538.7500  353.6700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  563.6900  353.6700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  588.6400  353.6700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  438.6000  353.2100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  261.3200  349.8500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  673.1100  362.6300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  649.0200  369.0800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  690.7400  380.2600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  704.6500  383.9900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  680.5600  390.4400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  708.3800  397.9000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  722.8100  401.9400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  698.3100  408.1900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  726.3900  415.0700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  702.2400  422.5400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  716.3300  425.3700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  563.6900  310.4700    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  488.8700  310.4700    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  413.6100  310.3100    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  538.7500  324.8700    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  261.0600  312.0900    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  363.7300  324.7100    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  638.5200  324.8700    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  501.3400  332.0700    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  576.1600  332.0700    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  476.4000  332.0700    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  401.1400  331.9100    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  276.4300  331.9100    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  239.7400  334.9700    0.0000 S   0  0  0  0  0 15  0  0  0  0  0  0
  526.2800  346.4700    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  601.1100  346.4700    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  626.0500  346.4700    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  351.2500  346.3100    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  645.2900  355.1700    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  413.8700  353.0900    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  401.4400  345.9100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  413.8700  367.4400    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  426.3000  345.9100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
 79 80  2  0  0  0  0
 79 81  1  0  0  0  0
 82 79  1  0  0  0  0
M  CHG  2  79   1  81  -1
M  END
>  <Formula>
C61N8O12S

$$$$
cxy0335
 OpenBabel09292510183D

  6  0  0  0  0  0  0  0  0  0999 V2000
  426.3000  345.9100    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
  285.7700  356.2700    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  687.0200  366.3500    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  662.9300  372.8100    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  714.8400  373.8100    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  199.5000  334.8000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
M  END
>  <Formula>
CNO3

$$$$
