TJL0449
 OpenBabel09292510192D

 56 58  0  0  1  0  0  0  0  0999 V2000
  708.0500  270.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  879.6000  355.1500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  794.2100  249.4300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  818.8300  348.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  659.3700  340.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  794.2100  277.7800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  794.2100  347.7900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  671.5700  319.7600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  781.6800  270.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  769.9200  277.4500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  659.3700  355.4800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  695.8500  291.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  622.5500  362.5100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  684.0900  312.8400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  843.2200  348.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  781.6800  299.5400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  708.0500  256.7900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  720.1400  249.7600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  867.8400  348.5600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  769.4800  292.1800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  806.4100  327.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  781.6800  256.4600    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  794.2100  333.8300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  806.7400  355.1500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  794.2100  292.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  610.0300  355.1500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  892.1300  348.1200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  732.6700  256.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  609.7000  340.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  806.7400  256.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  732.6700  270.4200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  818.5000  334.1600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  720.5800  277.7800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  635.0800  355.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  756.9500  256.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  791.4600  312.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  820.0300  312.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  646.2900  333.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  621.8900  333.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  768.8200  246.6800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  756.4100  270.6400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  820.3600  249.2100    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  693.3300  277.4500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  829.7100  357.9000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  805.7500  312.6200    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  646.2900  365.0400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  744.5400  246.6800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  634.2000  341.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  808.1700  298.9900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  854.4300  357.9000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  594.7500  334.1600    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  805.4200  270.6400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  842.2300  333.6100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  707.6100  298.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  680.8000  298.6600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  673.4300  334.1600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  1 33  2  0  0  0  0
  1 43  1  0  0  0  0
  3 30  1  0  0  0  0
  4 24  2  0  0  0  0
  4 44  1  0  0  0  0
  5 38  2  0  0  0  0
  5 11  1  0  0  0  0
  5 56  1  0  0  0  0
  6 25  2  0  0  0  0
  7 24  1  0  0  0  0
  8 56  1  0  0  0  0
  9  6  1  0  0  0  0
  9 10  2  0  0  0  0
 10 20  1  0  0  0  0
 11 46  1  0  0  0  0
 12 43  1  0  0  0  0
 12 55  1  0  0  0  0
 12 54  2  0  0  0  0
 14  8  1  0  0  0  0
 14 55  1  0  0  0  0
 15 44  1  0  0  0  0
 15 53  2  0  0  0  0
 15 50  1  0  0  0  0
 17  1  1  0  0  0  0
 18 17  2  0  0  0  0
 18 28  1  0  0  0  0
 19  2  1  0  0  0  0
 19 50  1  0  0  0  0
 20 16  2  0  0  0  0
 21 45  1  0  0  0  0
 21 23  1  0  0  0  0
 21 32  2  0  0  0  0
 22  3  1  1  0  0  0
 22  9  1  0  0  0  0
 22 40  1  0  0  0  0
 23  7  2  0  0  0  0
 25 16  1  0  0  0  0
 25 49  1  0  0  0  0
 26 13  1  0  0  0  0
 27  2  1  0  0  0  0
 28 47  1  0  0  0  0
 28 31  2  0  0  0  0
 29 39  2  0  0  0  0
 29 26  1  0  0  0  0
 29 51  1  0  0  0  0
 30 42  1  0  0  0  0
 30 52  2  0  0  0  0
 31 33  1  0  0  0  0
 32  4  1  0  0  0  0
 34 13  1  0  0  0  0
 34 46  1  0  0  0  0
 34 48  2  0  0  0  0
 35 40  1  0  0  0  0
 35 41  2  0  0  0  0
 35 47  1  0  0  0  0
 36 45  2  0  0  0  0
 45 37  2  0  0  0  0
 49 45  1  0  0  0  0
M  END
>  <Formula>
C35N9O11S

$$$$
TJL0449
 OpenBabel09292510192D

 73 78  0  0  1  0  0  0  0  0999 V2000
  412.1600  208.7900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  436.0500  213.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  488.7700  213.7200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  422.6800  217.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  461.8100  221.2900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  395.3900  227.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  492.1700  227.4200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  420.0500  232.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  468.2700  233.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  445.1500  236.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  481.8600  237.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  429.9100  241.7800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  456.8700  242.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  412.1600  250.8800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  484.9300  252.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  426.5100  253.6200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  499.4000  256.2500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  374.1200  257.0200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  402.2900  261.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  474.3000  261.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  501.2600  269.5100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  379.4900  270.2800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  393.5200  272.9100    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  477.7000  275.9800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  491.7300  278.6100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  369.9600  281.2400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  412.1600  288.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  470.9000  293.0800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  442.8500  297.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  483.4000  298.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  417.4200  302.1800    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  455.7800  303.7100    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  409.4200  313.9000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  431.1200  319.9300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  418.1800  325.3000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  469.8100  328.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  471.6700  342.4000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  459.9400  350.7300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  559.6800  356.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  535.3500  358.6200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  510.3600  360.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  547.9600  364.7600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  523.6200  366.6200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  449.6400  373.4200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  500.0600  382.9500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  450.0800  387.1200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  488.3300  391.2800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  464.4400  407.9400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  477.7000  413.6400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  438.2400  199.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  397.6900  213.1800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  447.2300  222.2700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  381.0300  232.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  397.1400  248.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  459.7200  257.5700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  416.3200  264.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  421.0300  277.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  440.5400  283.2100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  395.1700  286.1700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  497.8700  290.3400    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  430.4600  305.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  484.1700  313.6800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  481.3200  319.8200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  454.2400  321.9000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  557.8200  341.9600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  508.5000  346.1300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  572.6200  364.9800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  460.2700  364.9800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  495.5700  368.4900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  463.1200  393.3700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  489.1000  405.8600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  583.7200  404.1100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  405.5700  237.9400    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 51  1  0  0  0  0
  2  4  1  0  0  0  0
  2 50  2  0  0  0  0
  2 52  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 52  1  0  0  0  0
  6 51  1  0  0  0  0
  6 53  2  0  0  0  0
  6 73  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 52  1  0  0  0  0
 11 15  1  0  0  0  0
 13 55  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 20  2  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 54  1  0  0  0  0
 19 56  2  0  0  0  0
 20 24  1  0  0  0  0
 20 55  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 19  1  1  0  0  0
 23 59  1  0  0  0  0
 23 22  1  0  0  0  0
 24 25  2  0  0  0  0
 27 57  2  0  0  0  0
 27 59  1  0  0  0  0
 28 30  1  0  0  0  0
 29 32  1  0  0  0  0
 29 58  2  0  0  0  0
 29 61  1  0  0  0  0
 30 60  1  0  0  0  0
 30 62  2  0  0  0  0
 31 33  1  0  0  0  0
 31 61  1  0  0  0  0
 31 27  1  1  0  0  0
 32 28  1  6  0  0  0
 32 64  1  0  0  0  0
 33 35  1  0  0  0  0
 34 35  1  0  0  0  0
 34 61  1  0  0  0  0
 36 37  1  0  0  0  0
 36 63  2  0  0  0  0
 36 64  1  0  0  0  0
 37 38  1  0  0  0  0
 38 68  1  0  0  0  0
 39 42  1  0  0  0  0
 39 65  2  0  0  0  0
 39 67  1  0  0  0  0
 40 42  1  0  0  0  0
 40 43  1  0  0  0  0
 41 43  1  0  0  0  0
 41 66  2  0  0  0  0
 41 69  1  0  0  0  0
 44 46  1  0  0  0  0
 44 68  1  0  0  0  0
 45 47  1  0  0  0  0
 45 69  1  0  0  0  0
 46 70  1  0  0  0  0
 47 71  1  0  0  0  0
 48 49  1  0  0  0  0
 48 70  1  0  0  0  0
 49 71  1  0  0  0  0
 67 72  1  0  0  0  0
 73  8  1  0  0  0  0
 73 54  1  0  0  0  0
 73 14  1  1  0  0  0
M  END
>  <Formula>
C51N7O15

$$$$
TJL0449
 OpenBabel09292510192D

  3  2  0  0  0  0  0  0  0  0999 V2000
  622.3100  353.9100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  612.1300  364.0900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  614.9300  408.5600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
>  <Formula>
C2S

$$$$
