TJL0451
 OpenBabel09292510192D

 79 85  0  0  1  0  0  0  0  0999 V2000
  201.2300  261.9100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  214.4100  267.5200    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  189.6900  270.2600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  215.9500  282.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  242.2200  282.2400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  190.9000  284.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  166.1700  287.4100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  229.1400  288.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9700  290.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  265.7300  292.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.3600  293.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.3500  302.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6200  304.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  244.6300  304.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  273.3200  305.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  287.7100  305.3200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  180.9000  307.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4100  312.9000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  251.7800  317.3000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  265.7300  317.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  249.0300  325.6500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  287.7100  329.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  273.3200  330.0400    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  259.3600  334.8800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  264.5300  353.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  291.6700  363.1200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  267.3800  367.5200    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  280.4600  372.2500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  283.3200  386.6400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  258.1500  390.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  234.3000  396.2000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  247.4900  399.7200    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  226.2800  408.5100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  348.2600  417.6300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  235.0700  419.7200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  260.1300  421.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  371.6700  422.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  334.6400  424.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  396.4000  428.0700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  384.0900  434.4500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  260.1300  435.9800    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  285.6200  436.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  406.7300  437.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  247.0500  442.8000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  297.6000  444.3400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  346.6200  445.9800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  247.0500  457.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  297.2700  458.7300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  346.6200  460.7100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  308.8100  480.6000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  358.1600  482.5800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  320.6800  488.1800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  345.4100  489.3900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  272.7700  280.0400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  251.0100  292.4600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.1500  310.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  168.8100  315.5400    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  294.2000  317.5200    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  294.0900  342.2400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  274.9600  343.7800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  250.2400  348.1800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  253.2100  376.3100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  271.7800  395.2100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  374.3100  409.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  247.6000  413.8900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  272.7700  414.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  322.3300  416.6400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  284.5300  422.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  357.6100  429.2800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  420.1400  433.0200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  332.4400  438.6200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  271.5600  445.5400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  401.3400  451.5900    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  231.6700  463.6800    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  258.5900  464.3400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  308.3700  466.0900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  357.3900  467.6300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  332.4400  481.0400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.8800  260.3200    0.0000 N   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 79  1  1  0  0  0
  3  6  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  5 55  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  1  0  0  0  0
 10 54  2  0  0  0  0
 10 55  1  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 12 56  2  0  0  0  0
 13 18  1  0  0  0  0
 13 56  1  0  0  0  0
 14 19  2  0  0  0  0
 14 55  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 58  1  0  0  0  0
 17 18  2  0  0  0  0
 17 57  1  0  0  0  0
 19 20  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
 22 58  1  0  0  0  0
 22 59  2  0  0  0  0
 23 24  1  1  0  0  0
 23 60  1  0  0  0  0
 25 60  1  0  0  0  0
 25 61  2  0  0  0  0
 26 28  1  0  0  0  0
 27 25  1  1  0  0  0
 27 62  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 30 62  1  0  0  0  0
 30 63  2  0  0  0  0
 31 33  1  0  0  0  0
 32 30  1  6  0  0  0
 32 65  1  0  0  0  0
 32 31  1  0  0  0  0
 33 35  1  0  0  0  0
 34 38  1  0  0  0  0
 34 69  1  0  0  0  0
 35 65  1  0  0  0  0
 36 41  1  0  0  0  0
 36 65  1  0  0  0  0
 36 66  2  0  0  0  0
 37 40  1  0  0  0  0
 37 64  2  0  0  0  0
 37 69  1  0  0  0  0
 38 67  2  0  0  0  0
 38 71  1  0  0  0  0
 39 40  1  0  0  0  0
 39 43  1  0  0  0  0
 41 44  1  6  0  0  0
 41 72  1  0  0  0  0
 42 45  1  0  0  0  0
 42 68  2  0  0  0  0
 42 72  1  0  0  0  0
 43 70  2  0  0  0  0
 43 73  1  0  0  0  0
 44 47  1  0  0  0  0
 45 48  1  0  0  0  0
 46 49  1  0  0  0  0
 46 71  1  0  0  0  0
 47 74  1  0  0  0  0
 47 75  2  0  0  0  0
 48 76  1  0  0  0  0
 49 77  1  0  0  0  0
 50 52  1  0  0  0  0
 50 76  1  0  0  0  0
 51 53  1  0  0  0  0
 51 77  1  0  0  0  0
 52 78  1  0  0  0  0
 53 78  1  0  0  0  0
M  END
>  <Formula>
C53FN8O16S

$$$$
TJL0451
 OpenBabel09292510192D

 54 56  0  0  1  0  0  0  0  0999 V2000
  528.7100  162.7800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  401.2300  165.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  387.6100  169.9300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  525.8500  177.0700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  512.3400  181.4700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  384.8600  183.8900    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  409.1500  189.0500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  395.6300  193.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  419.9200  198.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  495.1900  200.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  368.4900  201.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  392.4400  207.4000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  468.4900  208.9400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  416.7300  212.9000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  454.5300  213.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  403.5400  216.9600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  478.8200  218.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  351.7800  220.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  337.8200  225.3100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  451.7900  227.7300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  362.5500  230.4800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  476.0700  232.4600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  462.5500  236.8500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  335.0800  238.8300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  359.3600  244.4400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  345.8500  248.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  352.9900  272.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  361.0100  296.2000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  358.1600  309.7100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  365.7400  333.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  376.5100  343.2300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  373.3200  357.1900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  384.0900  366.7500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  381.2300  380.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  575.1100  401.1200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  405.9600  151.2500    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  411.5600  174.8700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  368.4900  187.8400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  432.6600  191.4700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  484.1000  190.0400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  452.9900  192.6800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  510.6900  195.6400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  443.4300  203.5600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  351.7800  206.5200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  378.4900  211.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  433.6500  213.8900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  493.9900  213.8900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  339.8000  262.3500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  366.2900  267.7300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  347.6100  286.0900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  370.3500  319.2800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  351.0100  338.0700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  366.2900  384.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  393.2100  390.0500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2 36  1  0  0  0  0
  2 37  2  0  0  0  0
  4  5  1  0  0  0  0
  5 42  1  0  0  0  0
  6  3  1  1  0  0  0
  6  8  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 12  2  0  0  0  0
  9 14  1  0  0  0  0
  9 39  1  0  0  0  0
 10 40  2  0  0  0  0
 10 42  1  0  0  0  0
 10 47  1  0  0  0  0
 11 38  1  0  0  0  0
 11 44  1  0  0  0  0
 11 45  2  0  0  0  0
 12 16  1  0  0  0  0
 13 15  2  0  0  0  0
 13 17  1  0  0  0  0
 14 16  2  0  0  0  0
 15 20  1  0  0  0  0
 15 43  1  0  0  0  0
 17 22  2  0  0  0  0
 17 47  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  2  0  0  0  0
 18 44  1  0  0  0  0
 19 24  2  0  0  0  0
 20 23  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
 26 48  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  2  0  0  0  0
 27 50  1  0  0  0  0
 28 29  1  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
 30 31  1  0  0  0  0
 30 51  1  0  0  0  0
 30 52  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 53  2  0  0  0  0
 34 54  1  0  0  0  0
 35 54  1  0  0  0  0
 39 43  1  0  0  0  0
 41 43  2  0  0  0  0
 43 46  2  0  0  0  0
M  END
>  <Formula>
C35N9O9S

$$$$
TJL0451
 OpenBabel09292510192D

  3  2  0  0  0  0  0  0  0  0999 V2000
  398.8200  413.6700    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  563.8500  418.3400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  386.2900  447.4700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
M  END
>  <Formula>
C2S

$$$$
