TJL0167
 OpenBabel09292510182D

 96105  0  0  1  0  0  0  0  0999 V2000
  564.2500  187.0500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  578.1600  189.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  679.8000  195.8000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  558.1900  199.8400    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  605.2000  207.2400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  567.2800  208.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  679.4700  210.0500    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  735.5600  209.3800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  654.7900  210.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  591.6200  212.4100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  615.6300  215.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  691.7000  216.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  723.4500  216.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  748.0200  216.4400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  643.0100  217.1200    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  723.4500  230.9200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  748.0200  230.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  642.6700  232.6000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  735.5600  237.6500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  760.5800  238.1000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  470.6800  253.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  495.0200  256.9500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  772.3600  259.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  481.5600  261.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  520.3800  263.0000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  506.1300  265.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  526.7700  275.9100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  674.4200  275.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  699.4400  275.9100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  748.3500  275.5700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  479.7700  276.5800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  785.9400  277.2500    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  504.1100  279.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  687.2100  282.9700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  711.5500  282.9700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  735.9000  282.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  760.9200  282.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  490.9800  284.9900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  806.1300  289.0300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  792.0000  289.7100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  760.9200  297.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  736.2400  297.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  653.4400  300.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  814.3200  300.9300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  517.6900  301.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  572.7700  303.9500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  587.2500  303.9500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  748.6900  304.2900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  543.0400  305.6400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  771.6900  305.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  529.8000  310.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  808.1500  313.3800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  659.5000  313.7200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  793.6800  314.7300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  551.7900  316.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  565.9300  316.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  594.3100  316.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  636.9500  316.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  623.7100  322.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  544.0500  328.3000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  573.4500  328.6400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  587.5800  328.6400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  518.7000  333.3500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  651.4200  337.3900    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  586.5700  177.7400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  654.6700  195.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  710.5500  205.1100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  630.1000  205.7900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  580.5100  203.4300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  667.1300  220.9300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  564.8100  223.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  613.2700  230.2400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  691.7000  231.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  472.2500  238.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  784.5900  251.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  759.6900  252.2300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  452.9500  258.5200    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  674.4200  260.8700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  798.9500  267.0400    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  771.9100  273.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  723.4500  275.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  801.6500  279.6100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  516.4500  286.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  656.0200  287.6900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  639.0800  301.7100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  785.3800  302.6100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  716.6000  304.2900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  608.3400  311.8100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  504.3400  307.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  768.3200  320.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  649.0600  322.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  529.4700  324.4900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  624.0400  336.3800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  707.9600  297.0000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  543.7900  199.8400    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  407.3900  200.8400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  2 65  2  0  0  0  0
  2 69  1  0  0  0  0
  4  6  1  0  0  0  0
  4 95  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 69  1  0  0  0  0
  6 71  2  0  0  0  0
  7  3  1  6  0  0  0
  7 12  1  0  0  0  0
  7 70  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 66  2  0  0  0  0
  9 70  1  0  0  0  0
 10 69  1  0  0  0  0
 11 68  1  0  0  0  0
 11 72  2  0  0  0  0
 12 67  1  0  0  0  0
 12 73  2  0  0  0  0
 13 16  1  0  0  0  0
 13 67  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  1  0  0  0
 15 68  1  0  0  0  0
 16 19  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 76  1  0  0  0  0
 21 24  1  0  0  0  0
 21 74  2  0  0  0  0
 21 77  1  0  0  0  0
 22 24  1  0  0  0  0
 22 26  2  0  0  0  0
 23 75  2  0  0  0  0
 23 76  1  0  0  0  0
 23 80  1  0  0  0  0
 24 31  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 33  1  0  0  0  0
 27 83  1  0  0  0  0
 28 34  1  0  0  0  0
 28 78  2  0  0  0  0
 28 84  1  0  0  0  0
 29 34  1  0  0  0  0
 29 35  1  0  0  0  0
 30 36  1  0  0  0  0
 30 37  2  0  0  0  0
 31 38  1  0  0  0  0
 32 40  1  0  0  0  0
 32 79  1  6  0  0  0
 32 80  1  0  0  0  0
 33 38  2  0  0  0  0
 33 83  1  0  0  0  0
 35 81  1  0  0  0  0
 36 42  2  0  0  0  0
 36 81  1  0  0  0  0
 37 41  1  0  0  0  0
 37 80  1  0  0  0  0
 39 40  1  0  0  0  0
 39 44  1  0  0  0  0
 40 82  1  6  0  0  0
 40 86  1  0  0  0  0
 41 48  2  0  0  0  0
 41 50  1  0  0  0  0
 42 48  1  0  0  0  0
 42 87  1  0  0  0  0
 43 53  2  0  0  0  0
 43 84  1  0  0  0  0
 43 85  1  0  0  0  0
 44 52  1  0  0  0  0
 45 51  1  0  0  0  0
 45 83  1  0  0  0  0
 45 89  2  0  0  0  0
 46 47  2  0  0  0  0
 46 56  1  0  0  0  0
 47 57  1  0  0  0  0
 49 51  2  0  0  0  0
 49 55  1  0  0  0  0
 50 86  1  0  0  0  0
 50 90  2  0  0  0  0
 51 92  1  0  0  0  0
 52 54  1  0  0  0  0
 53 91  1  0  0  0  0
 54 86  1  0  0  0  0
 55 56  1  0  0  0  0
 55 60  2  0  0  0  0
 56 61  2  0  0  0  0
 57 62  2  0  0  0  0
 57 88  1  0  0  0  0
 58 59  1  0  0  0  0
 58 85  2  0  0  0  0
 58 91  1  0  0  0  0
 59 88  1  0  0  0  0
 59 93  2  0  0  0  0
 60 92  1  0  0  0  0
 61 62  1  0  0  0  0
 63 92  1  0  0  0  0
 64 91  1  0  0  0  0
 87 94  1  0  0  0  0
 95 96  1  0  0  0  0
M  END
>  <Formula>
C66HN12O16S

$$$$
