TJL0458
 OpenBabel09292510192D

 65 67  0  0  1  0  0  0  0  0999 V2000
  779.4900  203.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  680.1900  275.5100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  730.0000  289.3300    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  641.3500  226.9000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  642.9900  254.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  742.2900  253.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  553.2400  230.0800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  651.6600  205.5000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  840.7100  196.4000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  680.5200  289.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  655.2800  290.2100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  650.8900  192.1200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  667.9000  268.3700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  754.1400  203.2000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  717.7200  253.3400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  729.5700  275.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  589.2300  215.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  729.5700  246.3200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  565.8600  225.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  828.1000  203.5300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  638.6100  172.7000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  779.4900  217.7900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  766.7600  196.0700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  766.4300  239.1900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  551.2700  243.1400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  766.7600  224.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  615.6700  187.2900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  717.3900  268.0500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  561.4700  251.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  625.9900  166.3300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  667.9000  297.3400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  705.1000  289.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  742.6200  296.1300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  604.2600  194.0900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  655.2800  275.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  742.6200  267.6100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  754.9100  289.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  630.3800  233.5900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  853.0000  203.9700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  802.7500  203.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  754.1400  217.7900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  589.2300  228.8700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  639.3700  212.6400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  577.1600  248.0800    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  613.4800  173.1400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  790.9000  192.4500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  717.3900  299.6500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  769.5000  295.9100    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  638.8200  268.8100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  692.2600  299.6500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  576.3900  208.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  815.2600  192.4500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  558.7300  265.4100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  754.1400  274.5200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  567.4000  211.2100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  654.3000  247.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  576.1700  237.5400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  606.5700  208.1400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  753.7000  231.8400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  802.7500  217.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  778.5000  246.3200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  638.0600  185.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  626.9700  247.6400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  704.3300  274.9600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  750.7400  246.1000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 46  1  0  0  0  0
  2 10  2  0  0  0  0
  3 33  1  6  0  0  0
  3 47  1  0  0  0  0
  4 43  1  0  0  0  0
  4 38  1  0  0  0  0
  5 63  1  0  0  0  0
  5 56  2  0  0  0  0
  5 49  1  0  0  0  0
  6 36  2  0  0  0  0
  6 65  1  0  0  0  0
  7 25  1  0  0  0  0
  8 43  1  0  0  0  0
  9 20  1  0  0  0  0
  9 39  1  0  0  0  0
 10 31  1  0  0  0  0
 10 50  1  0  0  0  0
 11 31  2  0  0  0  0
 12  8  1  0  0  0  0
 12 62  1  0  0  0  0
 13  2  1  0  0  0  0
 13 35  2  0  0  0  0
 14 41  2  0  0  0  0
 15 28  1  0  0  0  0
 16  3  1  0  0  0  0
 17 42  1  0  0  0  0
 17 58  1  0  0  0  0
 17 51  2  0  0  0  0
 18  6  1  0  0  0  0
 18 15  2  0  0  0  0
 19  7  1  0  0  0  0
 19 55  2  0  0  0  0
 19 57  1  0  0  0  0
 20 52  1  0  0  0  0
 21 62  1  0  0  0  0
 22 26  2  0  0  0  0
 23  1  2  0  0  0  0
 23 14  1  0  0  0  0
 24 59  2  0  0  0  0
 24 65  1  0  0  0  0
 24 61  2  0  0  0  0
 25 29  1  0  0  0  0
 26 24  1  0  0  0  0
 27 45  1  0  0  0  0
 27 34  1  0  0  0  0
 28 16  2  0  0  0  0
 29 44  1  0  0  0  0
 29 53  2  0  0  0  0
 30 45  1  0  0  0  0
 30 21  1  0  0  0  0
 32 47  1  0  0  0  0
 32 50  1  0  0  0  0
 32 64  2  0  0  0  0
 34 58  1  0  0  0  0
 35 11  1  0  0  0  0
 35 49  1  0  0  0  0
 36 16  1  0  0  0  0
 37 48  1  0  0  0  0
 37 54  2  0  0  0  0
 37 33  1  0  0  0  0
 38 63  1  0  0  0  0
 40 46  1  0  0  0  0
 40 52  1  0  0  0  0
 40 60  2  0  0  0  0
 41 26  1  0  0  0  0
 42 57  1  0  0  0  0
M  END
>  <Formula>
C41N9O14S

$$$$
TJL0458
 OpenBabel09292510192D

 74 80  0  0  1  0  0  0  0  0999 V2000
  431.2300  187.1800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  410.9000  197.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  396.7200  201.0300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  420.6800  207.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  392.7700  214.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  379.0300  218.3900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  417.0500  221.6900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  403.3200  225.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  375.4000  232.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  362.6500  238.7200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  385.5100  242.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  480.0600  159.6800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  378.5900  254.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  355.8400  263.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  383.7500  268.7200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  392.7700  271.3600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  360.9000  277.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  374.9600  279.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  479.6900  280.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  500.3500  283.2300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  392.4400  285.7600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  351.7700  288.4000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  379.6900  293.0100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  431.2300  295.5400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  402.8800  301.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  494.9700  303.5600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  370.3500  304.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  426.5000  309.7200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  412.3300  311.9100    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  506.9500  314.4400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  435.8400  320.5900    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  499.6900  327.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  416.7200  336.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  520.3500  339.8300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  412.3300  349.9400    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  527.1700  352.4600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  398.5900  354.6600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  434.0900  362.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  462.6600  363.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  477.1600  363.0100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  548.2700  365.2100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  398.1500  368.4000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  411.5600  373.1200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  441.3400  374.5500    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  484.0900  375.6500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  541.0100  377.0800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  433.7600  386.9700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  504.7500  388.7300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  519.2500  388.7300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  440.5700  399.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  416.2800  184.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  432.9900  201.1400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  398.5900  238.8300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  364.3000  252.4600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  340.9000  261.1400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  467.3800  269.2700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  407.0500  287.4100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  474.3100  294.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  355.8400  301.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  388.3700  303.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  374.9600  317.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  403.6400  325.5400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  484.3100  326.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  430.2400  333.6700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  502.2200  339.5000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  441.0100  349.6100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  455.3000  349.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  541.0100  352.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  419.5800  361.9200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  458.0400  374.5500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  497.7100  375.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  525.7400  376.6400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  454.2000  399.2800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  429.5800  410.4900    0.0000 N   0  0  0  0  0  1  0  0  0  0  0  0
  1 51  1  0  0  0  0
  1 52  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 51  1  0  0  0  0
  3  5  1  0  0  0  0
  4  7  2  0  0  0  0
  4 52  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 53  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 54  1  0  0  0  0
 11 13  1  0  0  0  0
 11 53  2  0  0  0  0
 12 56  1  0  0  0  0
 13 15  2  0  0  0  0
 13 54  1  0  0  0  0
 14 17  1  0  0  0  0
 14 54  1  0  0  0  0
 14 55  2  0  0  0  0
 15 18  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 56  1  0  0  0  0
 19 58  2  0  0  0  0
 20 26  1  0  0  0  0
 22 59  1  0  0  0  0
 23 21  1  6  0  0  0
 23 27  1  0  0  0  0
 23 60  1  0  0  0  0
 24 28  1  0  0  0  0
 25 57  2  0  0  0  0
 25 60  1  0  0  0  0
 26 30  1  0  0  0  0
 27 59  1  0  0  0  0
 27 61  2  0  0  0  0
 28 31  1  0  0  0  0
 29 25  1  1  0  0  0
 29 62  1  0  0  0  0
 29 28  1  0  0  0  0
 30 32  1  0  0  0  0
 32 63  2  0  0  0  0
 32 65  1  0  0  0  0
 33 62  1  0  0  0  0
 33 64  2  0  0  0  0
 34 36  1  0  0  0  0
 34 65  1  0  0  0  0
 35 33  1  6  0  0  0
 35 37  1  0  0  0  0
 35 69  1  0  0  0  0
 36 68  1  0  0  0  0
 37 42  1  0  0  0  0
 38 44  1  0  0  0  0
 38 66  2  0  0  0  0
 38 69  1  0  0  0  0
 39 40  1  0  0  0  0
 39 67  2  0  0  0  0
 39 70  1  0  0  0  0
 40 45  1  0  0  0  0
 41 46  1  0  0  0  0
 41 68  1  0  0  0  0
 42 43  1  0  0  0  0
 43 69  1  0  0  0  0
 44 47  1  6  0  0  0
 44 70  1  0  0  0  0
 45 71  1  0  0  0  0
 46 72  1  0  0  0  0
 47 50  1  0  0  0  0
 48 49  1  0  0  0  0
 48 71  1  0  0  0  0
 49 72  1  0  0  0  0
 50 73  2  0  0  0  0
 50 74  1  0  0  0  0
M  END
>  <Formula>
C50N8O16

$$$$
TJL0458
 OpenBabel09292510192D

  3  2  0  0  0  0  0  0  0  0999 V2000
  537.3300  248.0800    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  494.1400  160.2900    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  558.1800  233.2300    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

$$$$
