TJL0445
 OpenBabel09292510192D

 79 85  0  0  1  0  0  0  0  0999 V2000
  460.0600   48.5200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  473.8400   52.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  496.7200   52.6300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  436.6300   55.6200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  450.0700   58.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  412.4100   66.0700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  477.9500   65.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  426.6300   66.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  454.1800   72.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  468.4000   76.0600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  430.8500   79.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  393.6400   83.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  418.7400   87.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  391.1900   97.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  377.4200  101.5000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  416.1900  102.7200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  401.9700  106.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  412.4100  116.5000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  399.5300  120.7200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  385.3100  124.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  424.1900  125.7200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  353.5400  148.7100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  405.7500  148.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  339.4300  151.6000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  395.7500  157.4900    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  360.6500  160.8200    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  374.4200  162.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  337.7600  165.3700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  396.9700  171.5900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  410.3000  177.9300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  385.7500  180.3700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  353.9800  185.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  330.6500  190.4800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  343.9800  195.0300    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  588.3400  319.3100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  318.8800  200.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  360.2000  213.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  452.0700  225.4700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  363.6500  226.8000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  464.1800  227.5800    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
  456.2900  233.0200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  441.6300  235.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  353.2000  236.8000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  404.5200  239.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  418.3000  243.0200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  470.5100  242.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  346.1000  260.1300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  397.4100  263.1300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  386.9700  273.1200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  348.9800  273.9000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  365.6500  292.3400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  379.4200  296.4500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  484.7300   43.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  491.3900   65.8400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  382.7500   74.1800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  406.8600   78.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  443.7400   83.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  374.0900  116.1600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  399.9700  134.7200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  419.5200  151.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  350.4300  171.2600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  379.8600  175.0400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  367.3100  189.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  302.0000  196.0300    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  370.3100  203.1400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  343.1000  208.8100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  322.2100  214.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  475.0600  218.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  400.7500  225.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  427.5200  229.0200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  486.3900  245.8000    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  390.3100  249.3500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  445.4000  249.4600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  355.6500  250.5700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  459.1800  252.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  362.0900  277.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  389.5300  286.6700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  375.1200  135.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  384.6000  151.8600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2 53  1  0  0  0  0
  3 53  1  0  0  0  0
  3 54  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  8  1  0  0  0  0
  6 56  1  0  0  0  0
  7 10  2  0  0  0  0
  7 54  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 57  1  0  0  0  0
 11 13  1  0  0  0  0
 11 57  2  0  0  0  0
 12 14  1  0  0  0  0
 12 55  2  0  0  0  0
 12 56  1  0  0  0  0
 13 16  2  0  0  0  0
 13 56  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  2  0  0  0  0
 15 58  1  0  0  0  0
 16 17  1  0  0  0  0
 17 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 19 18  1  6  0  0  0
 19 59  1  0  0  0  0
 20 58  1  0  0  0  0
 20 78  2  0  0  0  0
 22 24  1  0  0  0  0
 23 59  1  0  0  0  0
 23 60  2  0  0  0  0
 24 28  1  0  0  0  0
 25 23  1  1  0  0  0
 25 29  1  0  0  0  0
 26 22  1  0  0  0  0
 26 27  1  6  0  0  0
 26 61  1  0  0  0  0
 27 62  2  0  0  0  0
 27 79  1  0  0  0  0
 28 61  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 61  1  0  0  0  0
 32 63  2  0  0  0  0
 33 36  1  0  0  0  0
 34 33  1  6  0  0  0
 34 66  1  0  0  0  0
 35 68  1  0  0  0  0
 36 64  1  0  0  0  0
 36 67  2  0  0  0  0
 37 39  1  0  0  0  0
 37 65  2  0  0  0  0
 37 66  1  0  0  0  0
 38 40  1  0  0  0  0
 38 42  1  0  0  0  0
 39 43  1  0  0  0  0
 40 41  1  0  0  0  0
 40 46  1  0  0  0  0
 40 68  1  0  0  0  0
 42 70  1  0  0  0  0
 42 73  2  0  0  0  0
 43 74  1  0  0  0  0
 44 45  1  0  0  0  0
 44 69  2  0  0  0  0
 44 72  1  0  0  0  0
 45 70  1  0  0  0  0
 46 71  1  0  0  0  0
 46 75  2  0  0  0  0
 47 50  1  0  0  0  0
 47 74  1  0  0  0  0
 48 49  1  0  0  0  0
 48 72  1  0  0  0  0
 49 77  1  0  0  0  0
 50 76  1  0  0  0  0
 51 52  1  0  0  0  0
 51 76  1  0  0  0  0
 52 77  1  0  0  0  0
 79 25  1  0  0  0  0
M  END
>  <Formula>
C52N7O19S

$$$$
TJL0445
 OpenBabel09292510192D

 54 56  0  0  1  0  0  0  0  0999 V2000
  706.0300   39.9100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  780.7900   39.9100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  693.9200   47.0100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  768.2400   47.0100    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  718.5800   47.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  743.2400   47.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  792.4500   47.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  693.9200   61.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  718.5800   61.5700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  768.2400   61.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  706.4800   68.6800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  755.6900   68.2300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  780.3500   68.6800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  681.8200   82.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  780.3500   82.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  755.3500   82.8900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  767.7900   90.0000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  669.2600  104.5500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  656.8200  111.3300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  792.4500  118.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  780.3500  125.4400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  805.0100  125.4400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  645.0500  132.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  879.3200  139.6600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  780.3500  139.6600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  805.0100  140.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  830.0000  140.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  854.6600  140.1000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  792.4500  146.7700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  866.7700  146.7700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  644.7200  147.2100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  632.1600  153.8700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  632.6100  168.5400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  619.6100  175.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  730.2500   36.5700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  755.1300   36.3500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  807.6700   40.1300    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  742.5800   61.3400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  791.7900   61.3400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  677.6000   68.4500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  665.4900   89.7800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  693.2600   90.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  795.3400   90.2300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  777.6800  104.2200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  791.7900  104.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  806.0100  104.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  631.2700  125.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  659.4900  125.6600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  828.7800  125.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  816.4500  150.5400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  841.3300  150.3200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  606.5000  168.0900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  622.5000  189.9800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  624.0000  317.3800    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  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  2  1  1  0  0  0
  4 10  1  0  0  0  0
  4 36  1  0  0  0  0
  5  9  2  0  0  0  0
  5 35  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  6 38  2  0  0  0  0
  7 37  1  0  0  0  0
  7 39  2  0  0  0  0
  8 11  2  0  0  0  0
  8 40  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 16  1  0  0  0  0
 13 15  2  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  2  0  0  0  0
 15 17  1  0  0  0  0
 15 43  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 41  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 45  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 31  1  0  0  0  0
 23 47  2  0  0  0  0
 23 48  1  0  0  0  0
 24 30  1  0  0  0  0
 25 29  1  0  0  0  0
 26 29  2  0  0  0  0
 26 50  1  0  0  0  0
 27 49  2  0  0  0  0
 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 30  1  0  0  0  0
 28 51  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 52  2  0  0  0  0
 34 53  1  0  0  0  0
 43 45  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  2  0  0  0  0
 53 54  1  0  0  0  0
M  END
>  <Formula>
C35N9O9S

$$$$
