TJL0446
 OpenBabel09292510192D

 53 55  0  0  1  0  0  0  0  0999 V2000
  530.9900  167.0600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  604.7200  167.0600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  543.4500  173.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  567.1300  173.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  617.1700  173.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  518.5400  173.9500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  592.3800  173.9500    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  518.5400  188.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  543.4500  188.0800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  592.3800  188.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  530.9900  195.3100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  580.2500  195.3100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  604.7200  195.3100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  506.5300  209.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  579.9200  209.4300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  604.7200  209.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  592.3800  216.3200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  494.0700  230.4400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  481.7300  237.6700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  617.1700  245.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  604.3900  252.2400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  629.1800  251.9100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  469.6100  258.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  604.3900  266.0300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  629.6300  266.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  678.5600  266.0300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  703.3500  266.0300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  654.0900  266.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  690.9000  273.2600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  469.6100  273.2600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  617.1700  273.2600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  457.2700  280.4900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  457.6000  294.2700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  554.9000  163.2800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  579.3600  163.0600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  631.9600  166.7300    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  567.1300  188.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  616.2800  188.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  502.5200  195.1900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  490.5200  216.3200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  517.8700  216.3200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  619.4000  216.3200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  616.2800  230.3300    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  602.0500  230.6700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  630.6300  230.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  456.3800  251.4600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  484.4000  251.9100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  653.2000  251.4600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  641.0800  276.7000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  665.5500  276.7000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  456.8000  358.3800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  433.8800  319.0500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  445.1300  301.4700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  2  0  0  0  0
  2  5  1  0  0  0  0
  3  9  2  0  0  0  0
  3 34  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  4 37  2  0  0  0  0
  5 36  1  0  0  0  0
  5 38  2  0  0  0  0
  6  8  1  0  0  0  0
  7  2  1  1  0  0  0
  7 10  1  0  0  0  0
  7 35  1  0  0  0  0
  8 11  2  0  0  0  0
  8 39  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  2  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 16 42  1  0  0  0  0
 18 19  1  0  0  0  0
 18 40  1  0  0  0  0
 19 47  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 43  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 30  1  0  0  0  0
 23 46  2  0  0  0  0
 23 47  1  0  0  0  0
 24 31  1  0  0  0  0
 25 31  2  0  0  0  0
 25 49  1  0  0  0  0
 26 29  1  0  0  0  0
 26 50  1  0  0  0  0
 27 29  1  0  0  0  0
 28 48  2  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 53  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  2  0  0  0  0
 51 52  1  0  0  0  0
 53 52  1  0  0  0  0
M  END
>  <Formula>
C35N9O8S

$$$$
TJL0446
 OpenBabel09292510192D

 75 80  0  0  1  0  0  0  0  0999 V2000
  329.9400  140.3100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  407.2100  148.8000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  382.6000  149.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  355.9400  152.4600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  324.4600  153.5300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  395.4900  156.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  347.1300  164.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  332.8400  165.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  369.4900  171.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  395.4900  171.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  420.3200  171.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  356.2700  175.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  384.1000  178.7900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  407.9600  178.4600    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  327.0300  179.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  312.3100  180.9400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  335.7400  190.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  400.2200  190.8200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  385.6100  190.8200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  307.5800  194.1600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  407.9600  202.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  436.8700  203.7200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  315.6400  204.8000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  329.9400  204.3700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  415.2700  216.0800    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  429.8800  216.0800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  333.9100  223.0700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  319.3000  225.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  393.6700  229.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  437.1900  229.3000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  362.1800  231.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  343.0500  234.0300    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  385.9300  241.4400    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  391.0900  254.9800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  367.9800  256.0600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  346.0600  263.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  379.7000  264.1200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  341.2200  276.5900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  326.6000  279.1700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  307.5800  295.6100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  303.1800  307.3200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  361.4300  310.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  368.4100  320.5400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  343.8000  323.0100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  331.3300  324.8400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  306.5100  328.6000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  400.5400  328.6000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  387.7600  329.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  314.8900  338.4900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  407.9600  338.8100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  402.8000  350.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  381.5200  134.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  419.6700  155.3600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  368.7300  156.2200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  432.7900  177.8200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  350.2500  189.2100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  414.5200  190.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  392.4800  203.2900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  306.8300  214.1500    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  385.3900  215.9700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  366.5800  217.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  409.7900  228.5500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  313.8200  238.9700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  370.7800  241.7700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  333.5900  251.4400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  359.9200  260.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  321.4500  292.7100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  365.4000  298.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  345.3000  311.3000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  310.3800  317.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  383.0300  319.0400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  326.3900  336.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  382.0600  340.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  389.2600  350.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  411.9400  359.8800    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 53  1  0  0  0  0
  3  6  1  0  0  0  0
  3 52  2  0  0  0  0
  3 54  1  0  0  0  0
  4  7  1  0  0  0  0
  4 54  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8 15  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 54  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 14  1  0  0  0  0
 11 53  1  0  0  0  0
 11 55  2  0  0  0  0
 12 56  2  0  0  0  0
 14 57  1  0  0  0  0
 14 18  1  1  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 20  2  0  0  0  0
 17 24  1  0  0  0  0
 17 56  1  0  0  0  0
 18 19  1  0  0  0  0
 20 23  1  0  0  0  0
 21 57  1  0  0  0  0
 21 58  2  0  0  0  0
 22 26  1  0  0  0  0
 23 24  2  0  0  0  0
 25 21  1  1  0  0  0
 25 62  1  0  0  0  0
 25 26  1  0  0  0  0
 26 30  1  0  0  0  0
 27 28  1  0  0  0  0
 28 59  1  0  0  0  0
 28 63  2  0  0  0  0
 29 60  2  0  0  0  0
 29 62  1  0  0  0  0
 31 32  1  0  0  0  0
 31 61  2  0  0  0  0
 31 64  1  0  0  0  0
 32 27  1  6  0  0  0
 32 65  1  0  0  0  0
 33 34  1  0  0  0  0
 33 64  1  0  0  0  0
 33 29  1  1  0  0  0
 34 37  1  0  0  0  0
 35 37  1  0  0  0  0
 35 64  1  0  0  0  0
 36 38  1  0  0  0  0
 36 65  1  0  0  0  0
 36 66  2  0  0  0  0
 38 39  1  0  0  0  0
 39 67  1  0  0  0  0
 40 41  1  0  0  0  0
 40 67  1  0  0  0  0
 41 70  1  0  0  0  0
 42 43  1  0  0  0  0
 42 68  2  0  0  0  0
 42 69  1  0  0  0  0
 43 71  1  0  0  0  0
 44 45  1  0  0  0  0
 44 69  1  0  0  0  0
 45 72  1  0  0  0  0
 46 49  1  0  0  0  0
 46 70  1  0  0  0  0
 47 48  1  0  0  0  0
 47 50  1  0  0  0  0
 48 71  1  0  0  0  0
 48 73  2  0  0  0  0
 49 72  1  0  0  0  0
 50 51  1  0  0  0  0
 51 74  2  0  0  0  0
 51 75  1  0  0  0  0
M  END
>  <Formula>
C51N7O17

$$$$
TJL0446
 OpenBabel09292510192D

  3  2  0  0  0  0  0  0  0  0999 V2000
  398.3700  335.2500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  412.2800  331.5200    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  449.1200  372.3600    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

$$$$
