TJL0457
 OpenBabel09292510192D

 63 65  0  0  1  0  0  0  0  0999 V2000
  778.0000  342.7200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  693.9300  249.6800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  743.3300  207.4800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  681.4200  256.5400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  730.8200  228.6300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  669.2300  249.3500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  840.2500  293.7600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  878.1300  244.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  939.7200  238.6000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  839.9200  336.6300    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  827.7400  300.8500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  755.0700  214.6800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  851.6600  343.8300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  766.5900  321.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  766.9300  236.1600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  778.6700  314.4700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  705.3400  256.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  877.8000  258.9800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  754.0800  299.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  865.2800  266.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  766.1500  335.5200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  790.5200  321.6700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  864.5100  336.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  852.7700  315.1400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  926.7600  245.4700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  852.7700  301.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  853.1000  258.6500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  657.0500  255.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  852.7700  244.6900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  865.6200  237.6000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  742.2300  278.3600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  767.2600  250.1200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  901.7300  245.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  827.7400  314.8100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  951.7900  245.8000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  718.3000  235.3900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  839.9200  322.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  814.4400  335.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  790.5200  335.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  901.6100  259.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  753.5200  257.2100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  878.6900  344.1600    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  655.7200  270.6100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  729.9300  214.3400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  765.8200  292.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  826.8500  346.4800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  850.2200  280.1400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  864.1800  279.9200    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  863.5100  322.6700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  801.9300  346.4800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  705.0100  270.8300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  889.4300  234.7200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  738.2400  292.8700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  913.6900  234.8300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  867.6100  294.7600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  878.6900  280.3600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  721.0700  250.4500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  754.4100  229.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  750.4200  314.6900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  814.4400  322.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  643.6500  245.5800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  599.1200  410.0100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  3 12  1  0  0  0  0
  3 45  1  0  0  0  0
  5 37  1  0  0  0  0
  5 45  1  0  0  0  0
  6  4  1  0  0  0  0
  6 29  1  0  0  0  0
  7 11  2  0  0  0  0
  7 27  1  0  0  0  0
  8 18  1  0  0  0  0
  8 53  1  0  0  0  0
  9 26  1  0  0  0  0
  9 36  1  0  0  0  0
 10 13  1  6  0  0  0
 10 47  1  0  0  0  0
 11 35  1  0  0  0  0
 12 59  1  0  0  0  0
 14 22  1  0  0  0  0
 14 60  1  0  0  0  0
 15 33  1  0  0  0  0
 15 59  1  0  0  0  0
 16 14  2  0  0  0  0
 16 23  1  0  0  0  0
 17 58  1  0  0  0  0
 17 52  2  0  0  0  0
 18 20  2  0  0  0  0
 19 46  2  0  0  0  0
 19 54  1  0  0  0  0
 19 60  1  0  0  0  0
 20 49  1  0  0  0  0
 21 42  1  0  0  0  0
 21 32  1  0  0  0  0
 22  1  2  0  0  0  0
 23 40  2  0  0  0  0
 24 43  1  0  0  0  0
 24 13  1  0  0  0  0
 24 50  2  0  0  0  0
 25 38  1  0  0  0  0
 26 55  1  0  0  0  0
 27 56  1  0  0  0  0
 27 25  2  0  0  0  0
 28 20  1  0  0  0  0
 29 44  2  0  0  0  0
 29 62  1  0  0  0  0
 30 28  2  0  0  0  0
 31  8  2  0  0  0  0
 31 30  1  0  0  0  0
 32 54  1  0  0  0  0
 33 42  1  0  0  0  0
 34 41  2  0  0  0  0
 34 53  1  0  0  0  0
 34 55  1  0  0  0  0
 35 38  2  0  0  0  0
 37 58  1  0  0  0  0
 38 10  1  0  0  0  0
 39 47  1  0  0  0  0
 39 51  1  0  0  0  0
 39 61  2  0  0  0  0
 40  1  1  0  0  0  0
 40 51  1  0  0  0  0
 48 49  2  0  0  0  0
 49 57  2  0  0  0  0
 49 56  1  0  0  0  0
 62 63  1  0  0  0  0
M  END
>  <Formula>
C41N9O12S

$$$$
TJL0457
 OpenBabel09292510192D

 76 82  0  0  1  0  0  0  0  0999 V2000
  581.6200  236.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  594.4200  243.6500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  594.7500  257.8700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  581.3000  265.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  319.3100  283.1400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  568.8200  286.5000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  340.7900  294.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  312.4800  295.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  297.5100  296.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  544.7400  300.0700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  569.5800  300.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  372.0300  307.2200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  507.0900  306.7900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  320.0700  307.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  334.3900  307.5500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  531.9400  307.2200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  277.1100  312.1100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  332.1100  320.7900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  507.5300  320.7900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  298.5900  320.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  312.9100  321.1100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  374.6400  321.5400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  276.3500  325.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  349.8000  325.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  387.7600  325.9900    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  318.1200  326.7500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  289.1500  331.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  363.3600  330.5500    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  264.7500  334.6700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  445.3700  341.5100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  494.7300  342.5900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
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  379.8400  348.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  382.5600  363.3100    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  407.4000  362.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  281.6700  368.1900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  420.2000  369.7100    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
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  372.7900  373.5100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  269.9500  377.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  394.1600  383.6000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  420.2000  383.6000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  380.2800  386.2000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  432.5700  391.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  255.3100  394.5500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  584.6600  222.3900    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  568.8200  243.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  568.6000  257.8700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  584.2300  279.1300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  289.5900  283.6800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  354.4600  295.5100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  555.8000  310.8000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  580.6500  307.9800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  290.6700  308.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  346.7600  312.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  493.5300  327.5100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  338.7300  335.8600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  390.0400  340.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  419.5500  340.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  469.2300  342.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  362.8100  345.0900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  290.3500  345.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  407.4000  348.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  435.3900  362.7700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  394.7100  369.1700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  246.8500  382.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  444.2800  384.0300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  268.5400  391.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  434.5200  405.4000    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 51  1  0  0  0  0
  1 52  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 53  2  0  0  0  0
  4 54  1  0  0  0  0
  5  8  1  0  0  0  0
  5 56  1  0  0  0  0
  6 11  1  0  0  0  0
  6 54  1  0  0  0  0
  7 15  1  0  0  0  0
  7 56  1  0  0  0  0
  7 57  2  0  0  0  0
  8  9  1  0  0  0  0
  8 14  2  0  0  0  0
  9 55  2  0  0  0  0
  9 61  1  0  0  0  0
 10 16  1  0  0  0  0
 10 59  1  0  0  0  0
 11 59  1  0  0  0  0
 11 60  2  0  0  0  0
 12 22  1  0  0  0  0
 13 19  1  0  0  0  0
 13 58  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 62  1  0  0  0  0
 15 18  1  1  0  0  0
 16 58  1  0  0  0  0
 17 23  1  0  0  0  0
 17 61  1  0  0  0  0
 18 26  1  0  0  0  0
 19 63  1  0  0  0  0
 20 21  2  0  0  0  0
 20 27  1  0  0  0  0
 20 61  1  0  0  0  0
 22 25  1  0  0  0  0
 23 27  1  0  0  0  0
 23 29  2  0  0  0  0
 24 62  1  0  0  0  0
 24 64  2  0  0  0  0
 27 69  2  0  0  0  0
 28 24  1  1  0  0  0
 28 68  1  0  0  0  0
 28 22  1  0  0  0  0
 29 32  1  0  0  0  0
 30 34  1  0  0  0  0
 30 35  1  0  0  0  0
 31 36  1  0  0  0  0
 31 63  1  0  0  0  0
 32 37  2  0  0  0  0
 32 38  1  0  0  0  0
 33 65  2  0  0  0  0
 33 68  1  0  0  0  0
 34 66  2  0  0  0  0
 34 71  1  0  0  0  0
 35 67  1  0  0  0  0
 36 67  1  0  0  0  0
 37 41  1  0  0  0  0
 37 69  1  0  0  0  0
 38 43  2  0  0  0  0
 39 33  1  6  0  0  0
 39 44  1  0  0  0  0
 39 72  1  0  0  0  0
 40 42  1  0  0  0  0
 40 70  2  0  0  0  0
 40 72  1  0  0  0  0
 41 45  2  0  0  0  0
 42 47  1  6  0  0  0
 42 71  1  0  0  0  0
 43 45  1  0  0  0  0
 43 73  1  0  0  0  0
 44 48  1  0  0  0  0
 45 75  1  0  0  0  0
 46 48  1  0  0  0  0
 46 72  1  0  0  0  0
 47 49  1  0  0  0  0
 49 74  2  0  0  0  0
 49 76  1  0  0  0  0
 50 73  1  0  0  0  0
 50 75  1  0  0  0  0
M  END
>  <Formula>
C50N7O19

$$$$
TJL0457
 OpenBabel09292510192D

  3  2  0  0  0  0  0  0  0  0999 V2000
  596.3600  405.0700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  618.5000  247.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  586.1100  251.9000    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

$$$$
