DRG07714
 OpenBabel09292510182D

 17 15  0  0  0  0  0  0  0  0999 V2000
  407.0800  401.0800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  386.5500  375.1300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  372.3500  377.2100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  363.4500  365.9600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  349.2500  368.0400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  340.3500  356.7900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  326.1500  358.8700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  317.2500  347.6200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  303.0500  349.7000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  294.1500  338.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  279.9500  340.5300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  271.0400  329.2800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  256.8500  331.3600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  395.4500  386.3800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  299.4400  325.1100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  247.9400  320.1000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  251.5500  344.7000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14  2  1  0  0  0  0
 15 10  2  0  0  0  0
 16 13  1  0  0  0  0
 17 13  1  0  0  0  0
M  END
>  <Formula>
C13N2O2

$$$$
DRG07714
 OpenBabel09292510182D

 18 15  0  0  0  0  0  0  0  0999 V2000
  251.5500  344.7000    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
  246.1800  395.8600    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  470.2300  489.7800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  461.8200  478.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  467.6900  465.0500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  459.2800  453.4200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  465.1400  440.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  456.7300  428.7000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  462.6000  415.6000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  454.1900  403.9800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  460.0500  390.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  451.6400  379.2500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  457.5000  366.1500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  449.0900  354.5300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  474.3200  389.4100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  464.3700  502.8700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  454.9600  341.4300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  434.8200  356.0000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  3  4  1  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
 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
 15 11  2  0  0  0  0
 16  3  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <Formula>
C12N2O3

$$$$
DRG07714
 OpenBabel09292510182D

 18 15  0  0  0  0  0  0  0  0999 V2000
  434.8200  356.0000    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
  599.9300  376.4800    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  474.7300  525.0300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  466.3200  513.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  472.1900  500.3000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  463.7800  488.6700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  469.6400  475.5800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  461.2300  463.9500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  467.1000  450.8500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  458.6900  439.2300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  464.5500  426.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  456.1400  414.5000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  462.0000  401.4000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  453.5900  389.7800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  478.8200  424.6600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  468.8700  538.1200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  459.4600  376.6800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  439.3200  391.2500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  3  4  1  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
 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
 15 11  2  0  0  0  0
 16  3  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <Formula>
C12N2O3

$$$$
DRG07714
 OpenBabel09292510182D

 18 15  0  0  0  0  0  0  0  0999 V2000
  439.3200  391.2500    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
  604.4300  411.7300    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  389.5900  337.0900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  398.1200  348.6300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  392.3900  361.7900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  400.9200  373.3300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  395.1900  386.4900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  403.7200  398.0300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  398.0000  411.1800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  406.5300  422.7200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  400.8000  435.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  409.3300  447.4200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  403.6000  460.5800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  412.1300  472.1100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  386.5400  437.5000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  395.3100  323.9400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  406.4100  485.2700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  426.3900  470.5000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  3  4  1  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
 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
 15 11  2  0  0  0  0
 16  3  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <Formula>
C12N2O3

$$$$
DRG07714
 OpenBabel09292510183D

134136  0  0  1  0  0  0  0  0999 V2000
  426.3900  470.5000    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
  261.0800  451.7400    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  191.6100  363.7700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  177.2300  363.9600    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  172.2700  377.9300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  183.5900  386.8300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  661.2600  401.0600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  674.0900  394.5200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  671.8400  380.3000    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  657.6100  378.0500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  665.7600  436.3100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  678.5900  429.7700    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  676.3400  415.5500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  662.1100  413.3000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  202.4500  425.4800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  188.4000  428.6200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  187.0400  442.9600    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  200.2600  448.6800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  201.6600  353.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.7800  401.2200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  657.6100  363.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  646.8600  401.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  648.2100  409.5700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  662.0300  450.2200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6400  415.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9900  462.5900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  162.8300  363.9600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  173.1400  439.2300    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  129.9800  375.5000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  130.1100  365.1600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  807.0100  342.2300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  809.7100  356.3800    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  823.3800  360.9100    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  834.1400  351.3300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  847.8100  355.8600    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  858.5600  346.2900    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  855.6500  332.1800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  841.9800  327.6600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  839.0700  313.5500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  825.4000  309.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  822.4800  294.9200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  808.8100  290.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  798.0600  299.9700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  783.6700  300.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  779.1300  286.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  788.2100  275.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  802.5100  277.4500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  782.7700  262.4600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  791.6100  251.0900    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  764.9600  284.3900    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  779.1400  314.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  790.2800  323.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  802.6000  315.9800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  793.2000  337.5400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  782.4400  347.1100    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  785.3500  361.2100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  798.9500  365.9500    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  788.0500  375.3600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  771.2100  363.9100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  768.8400  342.3700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  757.9400  351.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  760.6400  365.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  744.3400  347.0500    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  741.6400  332.9000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  733.4400  356.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  736.1400  370.6000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  719.8400  351.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  717.1400  337.5700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  708.9400  361.1200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  695.3400  356.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  684.4400  365.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  765.3100  318.3200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  814.4900  318.4300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  872.1600  351.0200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  874.8600  365.1700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  850.7200  369.9600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  839.9600  379.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  842.6600  393.6800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  826.2900  375.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  861.4000  360.6000    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  828.1300  462.4500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  829.7200  476.7600    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  843.0000  482.3300    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  854.4700  473.6200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  867.7400  479.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  879.2100  470.4900    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  877.4000  456.2100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  864.1300  450.6300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  862.3200  436.3400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  849.0400  430.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  847.2300  416.4800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  833.9500  410.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  822.4900  419.6100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  808.0900  419.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  804.6200  405.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  814.5400  394.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  828.6800  397.5100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  810.1600  381.0300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  819.8500  370.3800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  790.7000  401.5100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  802.5200  432.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  812.9100  442.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  825.7800  435.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  814.7200  456.6900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  803.2600  465.4000    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  805.0600  479.6900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  818.2600  485.4700    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  806.6500  494.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  790.7500  481.2800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  790.0700  459.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  778.4700  468.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  780.0600  482.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  765.2800  462.3800    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  763.6900  448.0600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  753.6800  470.9100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  755.2700  485.2200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  740.4900  465.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  738.9000  450.8200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  728.8900  473.6600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  715.7000  467.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  704.1000  476.4200    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  788.4200  435.3700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  837.4400  439.3000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  892.4000  476.2700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  893.9900  490.5800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  869.5500  493.4900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  858.0800  502.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  859.6700  516.5100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  844.8100  496.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  880.9300  484.9800    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  692.6400  342.2400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  706.2400  346.9800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  714.1100  453.5700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  727.3000  459.3500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  3 19  2  0  0  0  0
  4  3  1  6  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  6 20  2  0  0  0  0
  7  8  1  0  0  0  0
  7 22  2  0  0  0  0
  9  8  1  6  0  0  0
  9 10  1  0  0  0  0
  9 71  1  0  0  0  0
 10 21  2  0  0  0  0
 11 24  2  0  0  0  0
 12 11  1  6  0  0  0
 12 13  1  0  0  0  0
 12121  1  0  0  0  0
 13 14  1  0  0  0  0
 14 23  2  0  0  0  0
 15 16  1  0  0  0  0
 15 25  2  0  0  0  0
 17 16  1  6  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 18 26  2  0  0  0  0
 27 30  1  0  0  0  0
 28 29  1  0  0  0  0
 32 31  1  6  0  0  0
 32 33  1  0  0  0  0
 32 57  1  0  0  0  0
 33 34  1  6  0  0  0
 33 79  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 76  1  0  0  0  0
 35 80  1  1  0  0  0
 36 37  1  0  0  0  0
 36 74  1  6  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 40 73  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 42 47  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 44 51  1  0  0  0  0
 45 46  1  0  0  0  0
 45 50  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 51 52  1  0  0  0  0
 51 72  1  0  0  0  0
 52 53  2  0  0  0  0
 52 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 55 60  1  6  0  0  0
 56 57  1  0  0  0  0
 56 58  1  0  0  0  0
 56 59  1  1  0  0  0
 57 58  1  6  0  0  0
 60 61  1  0  0  0  0
 61 62  2  0  0  0  0
 61 63  1  0  0  0  0
 63 64  1  1  0  0  0
 63 65  1  0  0  0  0
 65 66  1  0  0  0  0
 65 67  1  0  0  0  0
 67 68  2  0  0  0  0
 67 69  1  0  0  0  0
 69 70  1  0  0  0  0
 70 71  1  0  0  0  0
 70131  1  0  0  0  0
 70132  1  0  0  0  0
 74 75  1  0  0  0  0
 76 77  1  0  0  0  0
 77 78  2  0  0  0  0
 77 79  1  0  0  0  0
 82 81  1  6  0  0  0
 82 83  1  0  0  0  0
 82107  1  0  0  0  0
 83 84  1  6  0  0  0
 83129  1  0  0  0  0
 84 85  1  0  0  0  0
 85 86  1  0  0  0  0
 85126  1  0  0  0  0
 85130  1  1  0  0  0
 86 87  1  0  0  0  0
 86124  1  6  0  0  0
 87 88  2  0  0  0  0
 88 89  1  0  0  0  0
 89 90  2  0  0  0  0
 90 91  1  0  0  0  0
 90123  1  0  0  0  0
 91 92  1  0  0  0  0
 92 93  2  0  0  0  0
 92 97  1  0  0  0  0
 93 94  1  0  0  0  0
 94 95  2  0  0  0  0
 94101  1  0  0  0  0
 95 96  1  0  0  0  0
 95100  1  0  0  0  0
 96 97  2  0  0  0  0
 96 98  1  0  0  0  0
 98 99  1  0  0  0  0
101102  1  0  0  0  0
101122  1  0  0  0  0
102103  2  0  0  0  0
102104  1  0  0  0  0
104105  1  0  0  0  0
105106  1  0  0  0  0
105110  1  6  0  0  0
106107  1  0  0  0  0
106108  1  0  0  0  0
106109  1  1  0  0  0
107108  1  6  0  0  0
110111  1  0  0  0  0
111112  2  0  0  0  0
111113  1  0  0  0  0
113114  1  1  0  0  0
113115  1  0  0  0  0
115116  1  0  0  0  0
115117  1  0  0  0  0
117118  2  0  0  0  0
117119  1  0  0  0  0
119120  1  0  0  0  0
120121  1  0  0  0  0
120133  1  0  0  0  0
120134  1  0  0  0  0
124125  1  0  0  0  0
126127  1  0  0  0  0
127128  2  0  0  0  0
127129  1  0  0  0  0
M  END
>  <Formula>
C92Cl2N6O29S4

$$$$
