TJL0082
 OpenBabel09292510182D

 96 99  0  0  1  0  0  0  0  0999 V2000
  528.6200  213.6600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  553.5600  213.6600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  603.4400  213.6600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  628.3800  213.6600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  681.6700  218.5000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  541.0900  220.8500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  615.9100  220.8500    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  640.8600  220.8500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  667.3400  221.2600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  688.5000  231.1800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  541.0900  235.2500    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  366.8000  235.1400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  391.7500  235.1400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  466.2000  235.3700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  491.2000  235.2500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  516.1500  235.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  590.9700  235.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  615.9100  235.2500    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  640.8600  235.2500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  264.2400  239.4200    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  679.3200  241.2600    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  278.2000  242.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  379.2800  242.3300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  454.1000  242.4600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  478.7300  242.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  553.5600  242.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  578.5000  242.4600    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  628.3800  242.4600    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  653.3300  242.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  706.4000  248.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  256.7700  252.3200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  682.3100  255.3400    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  578.5000  256.8600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  304.4500  256.7300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  329.3900  256.7300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  354.3300  256.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  379.2800  256.7300    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  429.1600  256.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  454.1000  256.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  478.7300  257.0700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  528.6200  256.8600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  603.4400  256.8600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  696.2200  259.0700    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  266.1300  262.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  291.9800  263.9400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  316.9200  263.9400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  341.8700  263.9400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  391.7500  263.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  416.6800  263.9400    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  466.6000  264.0200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  566.0300  264.0500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  590.9700  264.0500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  615.9100  264.0500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  724.0500  266.5300    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  737.9500  270.2500    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  699.9500  272.9800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  416.6800  278.3400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  713.8600  276.7100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  675.8600  279.4400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  741.6800  284.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  404.2100  285.5300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  755.5900  287.8800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  731.5000  294.3400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  404.2100  299.9300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  758.9800  301.7900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  735.2200  308.2600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  749.1300  311.6500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  391.7500  321.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  516.1500  220.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  590.9700  220.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  566.0300  235.2500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  288.9700  232.8300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  665.7900  235.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  702.6800  234.9800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  528.6200  242.4600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  603.4400  242.4600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  354.3300  242.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  429.1600  242.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  503.6800  242.4600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  404.2100  256.7300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  720.3100  252.6200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  279.5100  256.7300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  553.5600  256.8600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  628.3800  256.8600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  653.3300  256.8600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  748.1400  260.0700    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  366.8000  263.9400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  441.6300  263.9400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  672.1400  265.5300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  263.1700  277.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  391.7500  278.3400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  391.7500  307.1400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  404.2100  328.7300    0.0000 N   0  0  0  0  0  1  0  0  0  0  0  0
  379.2800  328.7300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  258.3900  226.2700    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  244.0800  224.7500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7  3  1  6  0  0  0
  7 18  1  0  0  0  0
  9 73  1  0  0  0  0
 11  6  1  6  0  0  0
 11 26  1  0  0  0  0
 11 75  1  0  0  0  0
 12 23  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  2  0  0  0  0
 14 25  1  0  0  0  0
 15 25  1  0  0  0  0
 15 79  1  0  0  0  0
 16 69  2  0  0  0  0
 16 75  1  0  0  0  0
 16 79  1  0  0  0  0
 17 70  2  0  0  0  0
 17 76  1  0  0  0  0
 18 28  1  0  0  0  0
 18 76  1  6  0  0  0
 19 29  1  0  0  0  0
 20 22  1  0  0  0  0
 20 31  1  0  0  0  0
 20 95  1  0  0  0  0
 21 10  1  0  0  0  0
 21 32  1  6  0  0  0
 21 73  1  0  0  0  0
 22 72  2  0  0  0  0
 22 82  1  0  0  0  0
 24 39  1  0  0  0  0
 25 40  2  0  0  0  0
 26 71  1  0  0  0  0
 26 83  2  0  0  0  0
 27 17  1  1  0  0  0
 27 33  1  0  0  0  0
 27 71  1  0  0  0  0
 28 19  1  6  0  0  0
 28 84  1  0  0  0  0
 29 73  1  0  0  0  0
 29 85  2  0  0  0  0
 30 43  1  0  0  0  0
 30 74  2  0  0  0  0
 30 81  1  0  0  0  0
 31 44  1  0  0  0  0
 32 43  1  0  0  0  0
 32 89  1  6  0  0  0
 33 51  1  0  0  0  0
 33 52  1  0  0  0  0
 34 45  1  0  0  0  0
 34 46  1  0  0  0  0
 35 46  1  0  0  0  0
 35 47  1  0  0  0  0
 36 47  1  0  0  0  0
 36 77  2  0  0  0  0
 36 87  1  0  0  0  0
 37 23  1  6  0  0  0
 37 48  1  0  0  0  0
 37 87  1  0  0  0  0
 38 49  1  0  0  0  0
 38 78  2  0  0  0  0
 38 88  1  0  0  0  0
 39 50  2  0  0  0  0
 39 88  1  0  0  0  0
 40 50  1  0  0  0  0
 41 75  1  0  0  0  0
 42 76  1  0  0  0  0
 43 56  1  1  0  0  0
 44 82  1  0  0  0  0
 44 90  2  0  0  0  0
 45 82  1  0  0  0  0
 48 80  1  0  0  0  0
 48 91  2  0  0  0  0
 49 57  1  1  0  0  0
 49 80  1  0  0  0  0
 53 84  1  0  0  0  0
 54 55  1  0  0  0  0
 54 58  1  6  0  0  0
 54 81  1  0  0  0  0
 55 60  1  0  0  0  0
 55 86  1  6  0  0  0
 57 61  1  0  0  0  0
 59 89  1  0  0  0  0
 60 62  1  0  0  0  0
 60 63  2  0  0  0  0
 61 64  1  0  0  0  0
 62 65  2  0  0  0  0
 63 66  1  0  0  0  0
 64 92  1  0  0  0  0
 65 67  1  0  0  0  0
 66 67  2  0  0  0  0
 68 92  1  0  0  0  0
 68 93  1  0  0  0  0
 68 94  2  0  0  0  0
 95 96  1  0  0  0  0
M  END
>  <Formula>
C69N11O15S

$$$$
