TJL0447
 OpenBabel09292510192D

 77 82  0  0  1  0  0  0  0  0999 V2000
  297.3800  226.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  304.5800  238.7900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  345.5700  250.8600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  283.4300  250.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  297.8200  250.5300    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  318.6500  258.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  259.1700  263.3800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  328.5100  268.3600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  415.9000  269.4700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  365.6100  271.0200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  351.9900  274.3400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  388.6500  277.0000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  283.0900  280.4400    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  254.2900  281.9900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  299.3800  284.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  398.8400  286.8600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  435.6200  289.5200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  268.6900  291.0700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  422.3200  292.9500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  372.0400  294.3900    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  459.1000  295.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  275.4500  300.4800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  468.9600  305.4700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  299.3800  307.3500    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  506.0600  308.0200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  285.3100  310.6700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  492.0000  311.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  308.7900  316.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  515.9200  317.5400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  281.8700  323.9700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  512.4900  331.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  391.3100  339.1400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  405.3800  342.9100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  311.0100  343.2400    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  295.9400  347.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  333.3800  349.3300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  382.2300  350.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  320.5300  353.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  409.9200  354.9800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  345.1200  360.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  358.7500  360.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  387.8800  363.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  402.2800  366.3900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  316.7700  367.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  303.4700  371.7100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  364.4000  373.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  378.4600  375.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  326.6200  377.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  353.1000  381.9000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  383.0000  388.3200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  374.7000  400.8400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  308.5700  214.5300    0.0000 N   0  0  0  0  0  1  0  0  0  0  0  0
  282.4300  226.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  275.1200  238.7900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  321.6400  244.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  304.2500  265.4800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  276.0000  263.1600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  341.3600  264.4900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  374.7000  280.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  462.0900  281.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  411.3600  283.3200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  305.2500  293.5100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  481.8100  298.0500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  444.9200  302.5900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  321.8600  313.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  488.4500  325.0700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  304.5800  330.8300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  498.3100  335.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  285.5300  337.5900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  525.1200  341.3600    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  366.9400  348.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  291.7300  361.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  340.5800  374.1400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  322.6400  391.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  313.2800  280.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  321.1900  333.0600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  335.1000  336.7800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 52  1  0  0  0  0
  1 53  2  0  0  0  0
  3 58  1  0  0  0  0
  4  5  1  0  0  0  0
  4 54  2  0  0  0  0
  4 57  1  0  0  0  0
  5 56  1  0  0  0  0
  5  2  1  1  0  0  0
  6  8  1  0  0  0  0
  6 55  2  0  0  0  0
  6 56  1  0  0  0  0
  7 14  1  0  0  0  0
  7 57  1  0  0  0  0
  8 58  1  0  0  0  0
  9 61  1  0  0  0  0
 10 11  1  0  0  0  0
 10 59  1  0  0  0  0
 11 58  1  0  0  0  0
 12 16  1  0  0  0  0
 12 59  1  0  0  0  0
 13 15  1  1  0  0  0
 13 18  1  0  0  0  0
 13 57  1  0  0  0  0
 14 18  1  0  0  0  0
 15 62  1  0  0  0  0
 15 75  2  0  0  0  0
 16 61  1  0  0  0  0
 17 19  1  0  0  0  0
 17 64  1  0  0  0  0
 19 61  1  0  0  0  0
 20 59  1  0  0  0  0
 21 23  1  0  0  0  0
 21 60  2  0  0  0  0
 21 64  1  0  0  0  0
 22 26  1  0  0  0  0
 23 63  1  0  0  0  0
 24 28  1  1  0  0  0
 24 62  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 63  1  0  0  0  0
 27 66  2  0  0  0  0
 28 65  2  0  0  0  0
 28 67  1  0  0  0  0
 29 31  1  0  0  0  0
 31 68  2  0  0  0  0
 31 70  1  0  0  0  0
 32 33  2  0  0  0  0
 32 37  1  0  0  0  0
 33 39  1  0  0  0  0
 34 35  1  0  0  0  0
 34 38  1  0  0  0  0
 34 67  1  0  0  0  0
 34 76  1  1  0  0  0
 35 69  2  0  0  0  0
 35 72  1  0  0  0  0
 36 38  1  0  0  0  0
 36 40  2  0  0  0  0
 37 42  2  0  0  0  0
 37 71  1  0  0  0  0
 38 44  2  0  0  0  0
 39 43  2  0  0  0  0
 40 41  1  0  0  0  0
 40 73  1  0  0  0  0
 41 46  1  0  0  0  0
 41 71  2  0  0  0  0
 42 43  1  0  0  0  0
 42 47  1  0  0  0  0
 44 45  1  0  0  0  0
 44 48  1  0  0  0  0
 45 72  1  0  0  0  0
 46 47  2  0  0  0  0
 46 49  1  0  0  0  0
 47 50  1  0  0  0  0
 48 73  1  0  0  0  0
 48 74  2  0  0  0  0
 49 73  1  0  0  0  0
 50 51  1  0  0  0  0
 76 77  1  0  0  0  0
M  END
>  <Formula>
C53N11O13

$$$$
TJL0447
 OpenBabel09292510192D

 54 56  0  0  1  0  0  0  0  0999 V2000
  636.3200  145.3000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  709.3200  145.3000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  648.4000  152.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  623.8100  152.0600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  671.8800  152.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  696.8000  152.5000    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  721.5000  152.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  624.1400  166.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  648.4000  166.4600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  696.8000  166.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  684.4000  173.3200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  708.9900  173.3200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  636.3200  173.6600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  612.4000  187.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  684.4000  187.2800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  708.9900  187.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  696.8000  194.4800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  599.8800  208.5500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  587.8100  215.3100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  721.0600  222.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  708.5400  229.3700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  733.1300  229.3700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  575.7400  236.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  708.5400  243.3300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  733.1300  243.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  757.8300  243.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  781.6500  243.3300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  805.9100  243.3300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  576.0700  250.2000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  721.0600  250.5300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  794.1600  250.2000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  563.2200  257.2900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  563.5500  271.3500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  551.4800  278.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  622.1800  406.3600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  659.5900  141.6500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  683.9500  141.6500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  735.6800  145.0800    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  671.8800  166.4600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  720.2800  166.4600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  608.0800  173.3200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  596.1200  194.2600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  623.3700  194.2600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  723.1700  194.2600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  706.1100  208.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  719.9500  207.7700    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  734.3500  208.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  590.1300  229.3700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  562.4400  229.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  756.6200  229.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  744.5400  253.9600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  768.8000  253.9600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  538.1900  271.1300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  554.1400  292.4000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  9  2  0  0  0  0
  3 36  1  0  0  0  0
  4  8  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  5 39  2  0  0  0  0
  6 10  1  0  0  0  0
  6 37  1  0  0  0  0
  7 38  1  0  0  0  0
  7 40  2  0  0  0  0
  8 13  2  0  0  0  0
  8 41  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  2  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 16 44  1  0  0  0  0
 18 19  1  0  0  0  0
 18 42  1  0  0  0  0
 19 48  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 46  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 29  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  2  0  0  0  0
 24 30  1  0  0  0  0
 25 30  2  0  0  0  0
 25 51  1  0  0  0  0
 26 50  2  0  0  0  0
 26 51  1  0  0  0  0
 26 52  1  0  0  0  0
 27 31  1  0  0  0  0
 27 52  1  0  0  0  0
 28 31  1  0  0  0  0
 29 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
 44 46  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  2  0  0  0  0
M  END
>  <Formula>
C35N9O9S

$$$$
TJL0447
 OpenBabel09292510192D

  3  2  0  0  0  0  0  0  0  0999 V2000
  504.3400  317.2500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  516.8100  310.0500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  587.2000  402.0300    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

$$$$
