TJL0448
 OpenBabel09292510192D

 74 80  0  0  1  0  0  0  0  0999 V2000
  521.5400  137.7400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  558.4000  138.1800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  535.0700  139.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  498.2100  146.7600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  512.1800  149.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  540.3500  153.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  489.2900  158.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  475.3200  159.4200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  517.4600  162.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  532.2100  164.3700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  495.0200  171.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  458.5900  178.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  483.5700  180.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  457.3800  193.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  482.6900  196.2800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  443.8500  198.7000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  469.2700  202.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  479.8300  210.5800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  467.9500  216.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  492.4900  218.7300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  453.6400  221.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  476.9700  247.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  424.2600  253.5000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  410.2900  257.5700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  467.1800  258.0100    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  446.7100  264.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  432.4000  264.5000    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  410.2900  271.8800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  470.0400  272.3200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  484.3400  276.8300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  459.0300  282.5500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  428.3300  289.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  405.4400  297.6200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  419.3100  300.4900    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  395.2100  308.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  437.6900  317.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  530.1200  320.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  507.6700  329.9800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  442.2000  330.7500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  521.2100  332.4000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  484.3400  339.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  432.8400  341.8600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  498.6500  341.4200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  479.0600  363.8700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  427.4500  365.9600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  469.6000  374.9800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  431.9600  379.4900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  450.7800  396.2200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  464.7600  399.0800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  545.3000  130.5900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  553.8900  152.2600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  446.1600  170.6400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  470.8100  173.1700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  507.8900  173.7200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  441.9800  213.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  469.0500  229.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  448.8000  235.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  453.3100  248.0000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  490.2800  249.9800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  423.1600  276.1700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  453.4200  277.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  441.8700  292.7800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  377.3800  305.4400    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  446.2700  306.2100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  523.6300  307.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  419.3100  314.0200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  399.0600  322.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  542.9900  328.1100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  478.6200  325.6800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  470.4800  350.2200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  436.4800  355.1700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  445.5000  382.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  473.3400  388.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  576.1900  398.5600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  2 50  1  0  0  0  0
  2 51  1  0  0  0  0
  3  6  1  0  0  0  0
  3 50  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  6 51  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8 53  1  0  0  0  0
  9 10  1  0  0  0  0
  9 54  1  0  0  0  0
 11 13  1  0  0  0  0
 11 54  2  0  0  0  0
 12 14  1  0  0  0  0
 12 52  2  0  0  0  0
 12 53  1  0  0  0  0
 13 15  2  0  0  0  0
 13 53  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 17  1  0  0  0  0
 16 55  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 18  1  6  0  0  0
 19 21  1  0  0  0  0
 19 56  1  0  0  0  0
 21 55  1  0  0  0  0
 21 57  2  0  0  0  0
 22 56  1  0  0  0  0
 22 59  2  0  0  0  0
 23 24  1  0  0  0  0
 24 28  1  0  0  0  0
 25 22  1  1  0  0  0
 25 29  1  0  0  0  0
 25 58  1  0  0  0  0
 26 58  1  0  0  0  0
 26 61  2  0  0  0  0
 27 23  1  0  0  0  0
 27 26  1  6  0  0  0
 27 60  1  0  0  0  0
 28 60  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 32 34  1  0  0  0  0
 32 60  1  0  0  0  0
 32 62  2  0  0  0  0
 33 35  1  0  0  0  0
 34 33  1  6  0  0  0
 34 66  1  0  0  0  0
 35 63  1  0  0  0  0
 35 67  2  0  0  0  0
 36 39  1  0  0  0  0
 36 64  2  0  0  0  0
 36 66  1  0  0  0  0
 37 40  1  0  0  0  0
 37 65  2  0  0  0  0
 37 68  1  0  0  0  0
 38 40  1  0  0  0  0
 38 43  1  0  0  0  0
 39 42  1  0  0  0  0
 41 43  1  0  0  0  0
 41 69  2  0  0  0  0
 41 70  1  0  0  0  0
 42 71  1  0  0  0  0
 44 46  1  0  0  0  0
 44 70  1  0  0  0  0
 45 47  1  0  0  0  0
 45 71  1  0  0  0  0
 46 73  1  0  0  0  0
 47 72  1  0  0  0  0
 48 49  1  0  0  0  0
 48 72  1  0  0  0  0
 49 73  1  0  0  0  0
 68 74  1  0  0  0  0
M  END
>  <Formula>
C50N7O17

$$$$
TJL0448
 OpenBabel09292510192D

 59 61  0  0  1  0  0  0  0  0999 V2000
  690.8900  204.8600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  763.2900  204.8600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  679.0000  211.3500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  703.2100  211.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  726.4300  211.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  750.9700  211.7900    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  775.1800  211.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  678.6700  225.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  750.9700  225.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  703.2100  225.6600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  739.5200  231.8200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  690.8900  232.5900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  763.2900  232.2600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  666.7900  245.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  763.2900  246.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  739.1900  246.1300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  750.9700  253.5000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  655.3400  266.1500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  643.9000  272.3200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  584.9200  292.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  632.4500  292.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  596.3600  303.3500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  608.6900  306.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  632.7900  306.6500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  587.0100  307.5300    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
  596.8000  313.2500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  714.2100  201.3400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  738.7500  201.3400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  789.2600  205.0800    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  725.6600  225.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  774.3000  225.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  663.0500  232.4800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  651.0500  252.8400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  678.2300  253.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  776.9400  253.2800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  569.1800  285.9600    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  596.0300  285.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  619.3600  285.4100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  646.3200  285.8500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  607.7000  292.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  572.2600  312.8100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  619.6900  316.6600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  619.3100  396.7000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  789.4100  260.4800    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  799.5900  250.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  779.2200  270.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  801.8800  267.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  789.4100  274.8800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  789.4100  289.2800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  801.8800  296.4800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  814.3500  289.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  814.3500  274.8800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  826.8200  296.4800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  839.2900  289.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  851.7600  296.4800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  864.2300  289.2800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  876.7000  296.4800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  889.1700  289.2800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  839.2900  274.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4 10  2  0  0  0  0
  4 27  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 30  2  0  0  0  0
  6  2  1  1  0  0  0
  6  9  1  0  0  0  0
  6 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 31  2  0  0  0  0
  8 12  2  0  0  0  0
  8 32  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 11 16  1  0  0  0  0
 13 15  2  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  2  0  0  0  0
 15 17  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  0  0  0  0
 19 39  1  0  0  0  0
 20 25  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  2  0  0  0  0
 21 24  1  0  0  0  0
 21 38  2  0  0  0  0
 21 39  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 40  2  0  0  0  0
 23 42  1  0  0  0  0
 24 42  1  0  0  0  0
 25 26  1  0  0  0  0
 25 41  1  0  0  0  0
 35 44  1  0  0  0  0
 41 43  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  2  0  0  0  0
 44 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
 51 53  1  0  0  0  0
 52 47  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 54 59  2  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
M  END
>  <Formula>
C37N9O11S2

$$$$
