TJL0090
 OpenBabel09292510182D

 96 99  0  0  1  0  0  0  0  0999 V2000
  395.5200  190.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  469.9800  189.8400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  494.3900  189.7000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  457.6600  197.2100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  481.9600  196.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  606.2300  196.8800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  506.8100  211.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  407.9500  211.7200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  457.6600  211.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  482.2900  212.0500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  531.6700  211.2300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  581.3800  211.2300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  606.2300  211.2300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  739.0800  208.3500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  658.9600  215.3600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  420.3800  218.9000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  470.0300  218.9900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  593.8100  218.4000    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  645.4100  218.5300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  752.6600  212.6500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  728.6400  219.4800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  665.9000  228.0500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  704.7400  225.5700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  755.8400  226.6400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  420.3800  233.2500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  445.2300  233.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  593.8100  232.7500    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  494.3900  232.7500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  519.2400  232.7500    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  568.9500  232.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  618.6600  232.7500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  732.4600  233.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  657.0800  238.3500    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  432.8100  240.4200    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  606.2300  239.9300    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  506.8100  239.9300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  531.6700  239.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  556.5200  239.9300    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  631.0900  239.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  708.4500  239.4300    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  746.4600  236.9500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  722.3100  243.1500    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  684.4400  245.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  660.4300  252.3000    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  556.5200  254.2800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  581.3800  254.2800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  506.8100  254.2800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  674.2900  256.0100    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  420.3800  261.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  544.1000  261.4500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  568.9500  261.4500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  618.6600  261.4500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  306.3700  258.7800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  319.8400  261.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  678.0100  269.8800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  420.3800  276.3000    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  345.8100  276.3000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  370.6700  276.3000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  395.5200  276.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  445.2300  276.3000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  654.0000  276.3100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  298.8600  272.1000    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  333.3900  283.4700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  358.2400  283.4700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  383.1000  283.4700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  432.8100  283.4700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  308.0200  282.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  432.8100  297.8200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  395.5200  175.8500    0.0000 N   0  0  0  0  0  1  0  0  0  0  0  0
  383.1000  197.3700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  407.9500  197.3700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  506.8100  196.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  445.2300  218.9000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  519.2400  218.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  568.9500  218.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  494.3900  218.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  544.1000  232.7500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  643.5200  232.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  680.7300  232.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  581.3800  239.9300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  457.6600  240.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  698.3000  249.5800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  330.6400  252.2100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  407.9500  254.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  432.8100  254.7700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  531.6700  254.2800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  606.2300  254.2800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  631.0900  254.2800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  395.5200  261.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  726.0200  257.0100    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  650.2900  262.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  320.9600  276.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  407.9500  283.4700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  305.1600  296.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  284.4600  272.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.7200  231.4400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  1 69  1  0  0  0  0
  1 70  2  0  0  0  0
  1 71  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  5  1  0  0  0  0
  3 72  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 13  1  0  0  0  0
  7 72  1  0  0  0  0
  7 74  1  0  0  0  0
  7 76  2  0  0  0  0
  8 16  1  0  0  0  0
  8 71  1  0  0  0  0
  9 17  1  0  0  0  0
  9 73  1  0  0  0  0
 10 17  2  0  0  0  0
 11 74  1  0  0  0  0
 13 18  1  0  0  0  0
 14 20  2  0  0  0  0
 14 21  1  0  0  0  0
 15 19  1  0  0  0  0
 15 22  1  0  0  0  0
 16 25  1  0  0  0  0
 18 12  1  6  0  0  0
 18 27  1  0  0  0  0
 19 78  1  0  0  0  0
 20 24  1  0  0  0  0
 21 32  2  0  0  0  0
 24 41  2  0  0  0  0
 26 73  1  0  0  0  0
 26 81  2  0  0  0  0
 27 35  1  0  0  0  0
 27 80  1  6  0  0  0
 28 36  1  0  0  0  0
 29 36  1  1  0  0  0
 29 37  1  0  0  0  0
 29 74  1  0  0  0  0
 30 75  2  0  0  0  0
 30 80  1  0  0  0  0
 31 35  1  0  0  0  0
 31 39  1  0  0  0  0
 32 41  1  0  0  0  0
 32 42  1  0  0  0  0
 33 44  1  6  0  0  0
 33 78  1  0  0  0  0
 33 22  1  0  0  0  0
 34 25  1  6  0  0  0
 34 85  1  0  0  0  0
 34 26  1  0  0  0  0
 35 87  1  0  0  0  0
 36 47  1  0  0  0  0
 37 77  1  0  0  0  0
 37 86  2  0  0  0  0
 38 30  1  1  0  0  0
 38 45  1  0  0  0  0
 38 77  1  0  0  0  0
 39 78  1  0  0  0  0
 39 88  2  0  0  0  0
 40 23  1  1  0  0  0
 40 42  1  0  0  0  0
 40 82  1  0  0  0  0
 42 90  1  1  0  0  0
 43 48  1  0  0  0  0
 43 79  2  0  0  0  0
 43 82  1  0  0  0  0
 44 48  1  0  0  0  0
 44 91  1  6  0  0  0
 45 50  1  0  0  0  0
 45 51  1  0  0  0  0
 46 80  1  0  0  0  0
 48 55  1  1  0  0  0
 49 84  2  0  0  0  0
 49 85  1  0  0  0  0
 52 87  1  0  0  0  0
 53 54  1  0  0  0  0
 53 62  1  0  0  0  0
 54 83  2  0  0  0  0
 54 92  1  0  0  0  0
 56 49  1  1  0  0  0
 56 66  1  0  0  0  0
 56 93  1  0  0  0  0
 57 63  1  0  0  0  0
 57 64  1  0  0  0  0
 58 64  1  0  0  0  0
 58 65  1  0  0  0  0
 59 65  1  0  0  0  0
 59 89  2  0  0  0  0
 59 93  1  0  0  0  0
 60 66  1  0  0  0  0
 61 91  1  0  0  0  0
 62 67  1  0  0  0  0
 62 95  1  0  0  0  0
 63 92  1  0  0  0  0
 66 68  1  0  0  0  0
 67 92  1  0  0  0  0
 67 94  2  0  0  0  0
 95 96  1  0  0  0  0
M  END
>  <Formula>
C69N11O15S

$$$$
