LYADC000336
 OpenBabel09292510182D

 16  2  0  0  0  0  0  0  0  0999 V2000
  139.4900  178.2300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  151.7700  185.2600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  126.4300  185.2600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  151.7700  199.6600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  126.4300  200.3300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  229.7500  210.0000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  139.4900  207.3600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  139.1500  218.9700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  165.0500  218.9700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  151.7700  225.6700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  179.1100  226.3300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  151.4300  241.4000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  135.7600  164.3200    0.0000 Cl  0  0  0  0  0 15  0  0  0  0  0  0
  116.2500  175.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  102.3900  178.7900    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  126.3900  185.2200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
 14 15  1  0  0  0  0
 16 14  1  0  0  0  0
M  END
>  <Formula>
C14ClO

$$$$
LYADC000336
 OpenBabel09292510182D

 14  2  0  0  0  0  0  0  0  0999 V2000
  126.3900  185.2200    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
  208.7900  223.8000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  189.3000  216.1500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  229.7500  224.4000    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  244.1400  209.3600    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  250.7700  196.5800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  243.0300  184.4400    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  228.6400  185.0800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  222.0000  197.8600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  265.1700  196.5800    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  231.7500  169.0000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  208.7900  238.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.2200  245.3700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  208.7900  223.8500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
 12 13  1  0  0  0  0
 14 12  1  0  0  0  0
M  END
>  <Formula>
C8NO4

$$$$
LYADC000336
 OpenBabel09292510182D

 23  2  0  0  0  0  0  0  0  0999 V2000
  208.7900  223.8500    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
  161.9500  175.0800    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  176.3800  162.6000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  158.2200  161.1700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  190.2900  166.3300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  200.4700  156.1500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  212.9400  163.3500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  230.9200  154.6500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  246.1500  169.0000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  220.7300  144.4700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  212.9400  148.9500    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  212.9400  177.7500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  200.4700  141.7500    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  176.3800  148.2000    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  200.4700  127.3500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  188.0000  120.1500    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  214.3800  123.6200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  228.2900  127.3500    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  214.3800  109.2200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  240.7600  120.1500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  232.0200  141.2600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  245.8800  144.9700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  228.3000  127.4000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
 21 22  1  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Formula>
C15N2O5

$$$$
LYADC000336
 OpenBabel09292510183D

 23 22  0  0  1  0  0  0  0  0999 V2000
  228.3000  127.4000    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
  253.2300  127.3500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  240.7600  105.7500    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  263.4200  117.1700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  273.6000  127.3500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  286.0700  120.1500    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  299.2200  126.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  308.8600  115.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  301.6600  102.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  287.5700  105.8300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  299.2200  140.4100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  307.5200   89.6800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  323.2600  115.3100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  326.9900  129.2100    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  316.8000  139.4000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  320.5300  153.3100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  334.4400  157.0300    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  344.6200  146.8500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  340.9000  132.9400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  338.1700  170.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  325.7000  178.1400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  352.0800  174.6700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  373.7100  174.6700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
 10  6  1  0  0  0  0
 14 13  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  6  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Formula>
C15N2O4S

$$$$
