TJL0119
 OpenBabel09292510182D

 99107  0  0  1  0  0  0  0  0999 V2000
  740.5700   45.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  815.5800   45.2400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  765.4600   45.5700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  853.1400   46.5600    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  753.0100   52.5100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  778.2400   52.5100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  802.3600   52.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  828.0300   52.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  859.7500   59.0100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  873.5200   60.7700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  720.8500   64.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  802.8000   66.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  828.0300   66.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  247.9700   69.7000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  262.1800   72.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  815.5800   73.5500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  839.3700   75.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  876.3800   75.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  726.8000   77.3000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  572.0300   78.4000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  704.0000   79.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  654.8700   79.3900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  889.8200   81.1500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  241.0300   81.8100    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  863.9400   81.8100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  641.4300   82.9100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  546.8100   83.5700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  467.2800   84.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  492.5100   84.5700    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  288.3900   86.6600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  338.5100   86.6600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  363.4100   86.6600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  413.0900   86.6600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  560.2500   86.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  583.3800   86.9900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  665.2200   89.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  692.8700   89.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  455.2700   91.5100    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  504.9500   91.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  250.0600   92.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  275.9500   93.9300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  300.8400   93.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  326.0700   93.9300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  375.7400   93.9300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  400.3100   93.6000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  425.2000   93.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  536.7900   94.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  609.7100   97.3400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  637.2400   97.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  564.7600  100.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  623.8100  100.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  717.4400  100.8700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  661.8100  103.2900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  455.2700  106.3800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  647.6000  106.7100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  540.8600  107.7000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  602.7700  109.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  555.4000  110.4500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  587.5700  111.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  624.9100  114.6400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  608.9400  134.3500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  739.5800   30.4800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  839.0400   39.7300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  862.3900   35.5500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  789.5800   45.5700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  723.4900   52.2900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  271.9800   63.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  705.8700   65.2900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  467.1700   69.9200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  852.4800   72.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  782.5300   73.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  442.6100   80.4900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  522.5800   82.1400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  678.5500   81.7000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  312.9600   82.9100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  226.6000   84.2400    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  387.7500   86.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  262.8400   87.2100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  715.3400   86.8800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  835.4100   88.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  479.4000   95.1400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  350.0800   93.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  579.3000   99.6600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  696.1800  103.2900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  504.2900  105.7200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  246.6500  106.1600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  300.5100  107.0400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  424.9800  107.2600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  610.9200  120.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  580.9600  124.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  773.8300   66.1700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  192.7000   83.7400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  492.5100   70.1700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  872.2200   51.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  855.1900   23.0800    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  869.5900   23.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  876.3000   39.2800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  445.0900  116.5600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  465.4500  116.5600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 62  2  0  0  0  0
  1 66  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 63  1  0  0  0  0
  4 64  1  0  0  0  0
  6 65  1  0  0  0  0
  7 12  2  0  0  0  0
  7 65  1  0  0  0  0
  8 13  1  0  0  0  0
  8 63  1  0  0  0  0
  9 10  1  0  0  0  0
  9 70  1  0  0  0  0
  9 94  1  6  0  0  0
 10 18  1  0  0  0  0
 11 19  2  0  0  0  0
 11 66  1  0  0  0  0
 11 68  1  0  0  0  0
 12 16  1  0  0  0  0
 12 71  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 15 67  2  0  0  0  0
 15 78  1  0  0  0  0
 17 70  1  0  0  0  0
 17 80  2  0  0  0  0
 18 23  2  0  0  0  0
 18 25  1  0  0  0  0
 19 79  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  2  0  0  0  0
 21 37  1  0  0  0  0
 21 68  2  0  0  0  0
 21 79  1  0  0  0  0
 22 26  2  0  0  0  0
 22 36  1  0  0  0  0
 24 40  1  0  0  0  0
 24 76  1  0  0  0  0
 25 70  1  0  0  0  0
 26 49  1  0  0  0  0
 27 34  1  0  0  0  0
 27 47  2  0  0  0  0
 28 69  2  0  0  0  0
 28 81  1  0  0  0  0
 29 39  1  0  0  0  0
 29 81  1  0  0  0  0
 29 93  1  6  0  0  0
 30 41  1  0  0  0  0
 30 42  1  0  0  0  0
 31 43  1  0  0  0  0
 31 82  1  0  0  0  0
 32 44  1  0  0  0  0
 32 82  1  0  0  0  0
 33 45  1  0  0  0  0
 33 46  1  0  0  0  0
 34 50  2  0  0  0  0
 35 83  1  0  0  0  0
 36 53  2  0  0  0  0
 36 74  1  0  0  0  0
 37 74  1  0  0  0  0
 37 84  2  0  0  0  0
 38 28  1  1  0  0  0
 38 54  1  0  0  0  0
 38 72  1  0  0  0  0
 39 73  1  0  0  0  0
 39 85  2  0  0  0  0
 40 78  1  0  0  0  0
 40 86  2  0  0  0  0
 41 78  1  0  0  0  0
 42 75  1  0  0  0  0
 42 87  2  0  0  0  0
 43 75  1  0  0  0  0
 44 77  1  0  0  0  0
 45 77  1  0  0  0  0
 46 72  1  0  0  0  0
 46 88  2  0  0  0  0
 47 56  1  0  0  0  0
 47 73  1  0  0  0  0
 48 51  1  0  0  0  0
 48 57  2  0  0  0  0
 49 51  1  0  0  0  0
 49 55  2  0  0  0  0
 50 58  1  0  0  0  0
 50 83  1  0  0  0  0
 51 60  2  0  0  0  0
 52 79  1  0  0  0  0
 53 55  1  0  0  0  0
 54 98  1  0  0  0  0
 54 99  1  0  0  0  0
 56 58  2  0  0  0  0
 57 59  1  0  0  0  0
 57 89  1  0  0  0  0
 59 83  1  0  0  0  0
 59 90  2  0  0  0  0
 60 89  1  0  0  0  0
 61 89  1  0  0  0  0
 64 95  1  0  0  0  0
 64 96  2  0  0  0  0
 64 97  2  0  0  0  0
 71 91  1  0  0  0  0
 76 92  1  0  0  0  0
M  END
>  <Formula>
C66HN13O17S2

$$$$
