TJL0174
 OpenBabel09292510182D

108118  0  0  1  0  0  0  0  0999 V2000
  495.4100   78.0000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  496.0400   91.5700    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  373.2800   91.5700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  422.8900   91.8900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  471.4500   91.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  507.4900   98.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  385.6800   98.8900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  410.0700   98.4600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  434.3400   98.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  458.9400   98.4600    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  458.9400  114.1600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  470.6000   77.3700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  397.3400   91.8900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  449.6100   92.1000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  523.0800   92.1000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  358.9700   99.5300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  486.4000   99.0000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  433.9200  113.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  507.3900  113.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  299.2900  135.3900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  313.0300  140.4000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  637.0500  140.4000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  598.0100  141.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  662.7900  141.7100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  288.3800  145.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  649.7000  147.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  686.6800  151.3100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  315.7500  154.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  341.4900  155.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  528.3200  157.6400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  577.9400  157.2000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  503.6700  157.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  396.7900  158.2900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  411.5100  158.6200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  615.5700  158.6200    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  291.5400  159.3800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  367.2300  159.7100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  709.5800  161.1300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  695.0700  162.5400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  304.8500  163.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  353.0500  163.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  540.6400  164.6200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  565.2900  164.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  590.2600  164.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  515.6700  164.6200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  375.3000  171.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  389.7000  171.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  418.6000  170.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  621.8900  171.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  731.7200  172.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  635.9600  173.7800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  325.3500  175.1900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  476.2900  175.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  311.2800  176.6100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  565.6200  179.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  590.5900  179.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  367.2300  182.6100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  397.1100  183.5900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  439.6500  183.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  454.4800  183.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  411.1800  183.5900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  341.1700  186.4300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  578.2700  186.4300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  713.4000  186.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  736.3000  186.4300    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  601.1700  187.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  638.4700  187.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  476.2900  190.6800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  651.8900  193.8400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  625.8200  194.5000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  724.6300  194.5000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  458.3000  209.0000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  608.5900  132.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  583.9400  138.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  342.3700  140.7300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  266.8900  141.7100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  502.6900  142.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  623.8600  147.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  671.7300  152.2900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  600.9500  156.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  552.4200  157.7400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  740.1200  160.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  327.7500  161.1300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  650.4700  162.3200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  493.8500  164.6200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  664.5400  165.1600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  435.8300  170.9400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  462.5500  171.4900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  717.3200  172.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  352.7300  178.3600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  615.4600  184.6800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  559.2900  186.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  750.0400  190.4600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  698.7800  191.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  462.2300  195.0400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  431.9100  195.9200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  597.7900  201.9100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  262.7500  130.8100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  553.6200  175.8500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  542.7800   99.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  542.7800  113.7000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  555.2500  120.9000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  567.7200  113.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  567.7200   99.3000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  555.2500   92.1000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  580.1900  120.9000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  629.0900  159.2300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  789.1000  190.4600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  6  1  0  0  0  0
  2 17  1  0  0  0  0
  3  7  1  0  0  0  0
  3 16  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 12  2  0  0  0  0
  5 17  1  0  0  0  0
  6 15  1  0  0  0  0
  6 19  2  0  0  0  0
  7 13  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 18  2  0  0  0  0
 10 11  1  1  0  0  0
 10 14  1  0  0  0  0
 15100  1  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 28  1  0  0  0  0
 22 26  1  0  0  0  0
 22 78  1  0  0  0  0
 23 73  2  0  0  0  0
 23 74  1  0  0  0  0
 23 80  1  0  0  0  0
 24 26  2  0  0  0  0
 24 79  1  0  0  0  0
 25 36  2  0  0  0  0
 25 76  1  0  0  0  0
 26 84  1  0  0  0  0
 27 39  1  0  0  0  0
 27 79  1  0  0  0  0
 28 40  2  0  0  0  0
 28 83  1  0  0  0  0
 29 41  1  0  0  0  0
 29 75  2  0  0  0  0
 29 83  1  0  0  0  0
 30 42  1  0  0  0  0
 30 45  1  0  0  0  0
 31 43  1  0  0  0  0
 31 44  2  0  0  0  0
 32 45  1  0  0  0  0
 32 77  2  0  0  0  0
 32 85  1  0  0  0  0
 33 34  2  0  0  0  0
 33 47  1  0  0  0  0
 34 48  1  0  0  0  0
 35 49  1  0  0  0  0
 35 80  1  0  0  0  0
 35 78  1  6  0  0  0
 36 40  1  0  0  0  0
 37 41  2  0  0  0  0
 37 46  1  0  0  0  0
 38 39  1  0  0  0  0
 38 89  1  0  0  0  0
 40 54  1  0  0  0  0
 41 90  1  0  0  0  0
 42 81  1  0  0  0  0
 43 55  2  0  0  0  0
 43 81  1  0  0  0  0
 44 56  1  0  0  0  0
 44 80  1  0  0  0  0
 46 47  1  0  0  0  0
 46 57  2  0  0  0  0
 47 58  2  0  0  0  0
 48 61  2  0  0  0  0
 48 87  1  0  0  0  0
 49 91  1  0  0  0  0
 49107  1  6  0  0  0
 50 65  1  0  0  0  0
 50 82  2  0  0  0  0
 50 89  1  0  0  0  0
 51 67  1  0  0  0  0
 51 49  1  0  0  0  0
 52 54  2  0  0  0  0
 52 83  1  0  0  0  0
 53 68  2  0  0  0  0
 53 85  1  0  0  0  0
 53 88  1  0  0  0  0
 55 92  1  0  0  0  0
 56 63  2  0  0  0  0
 56 66  1  0  0  0  0
 57 90  1  0  0  0  0
 58 61  1  0  0  0  0
 59 60  1  0  0  0  0
 59 87  1  0  0  0  0
 59 96  2  0  0  0  0
 60 88  2  0  0  0  0
 60 95  1  0  0  0  0
 62 90  1  0  0  0  0
 63 55  1  0  0  0  0
 64 71  1  0  0  0  0
 64 89  1  0  0  0  0
 64 94  2  0  0  0  0
 65 71  1  0  0  0  0
 65 93  1  0  0  0  0
 66 91  1  0  0  0  0
 66 97  2  0  0  0  0
 67 69  2  0  0  0  0
 67 70  1  0  0  0  0
 68 95  1  0  0  0  0
 70 91  1  0  0  0  0
 72 95  1  0  0  0  0
 76 98  1  0  0  0  0
 79 86  1  0  0  0  0
 84 86  2  0  0  0  0
 92 99  1  0  0  0  0
 93108  1  0  0  0  0
100101  2  0  0  0  0
101102  1  0  0  0  0
102103  2  0  0  0  0
103104  1  0  0  0  0
103106  1  0  0  0  0
104105  2  0  0  0  0
105100  1  0  0  0  0
106 74  1  0  0  0  0
M  END
>  <Formula>
C75HN15O16S

$$$$
