LQ0047
 OpenBabel09292510182D

 79 86  0  0  1  0  0  0  0  0999 V2000
  310.9100   60.1400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  298.2700   67.2800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  322.8900   67.2800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  298.2700   81.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  323.2200   81.5700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
   98.7100   85.6300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  112.6600   88.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  285.7500   89.0400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  310.9100   88.7100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
   91.8900   98.6000    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  139.2600  103.3200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  163.7600  103.3200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  188.2700  103.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4500  103.3200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  261.5700  103.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  286.4100  103.3200    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  101.3500  108.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.6300  110.4700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  224.7600  110.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  298.6000  110.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  323.2200  110.4700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  126.9500  110.4700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  151.4600  110.4700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  249.5900  110.4700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  323.2200  124.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  347.7300  124.5300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  387.6200  133.6600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  374.9800  141.1300    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  375.3100  155.5200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  387.2900  162.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  364.1000  177.9400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  375.6400  184.4300    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  351.4600  185.8600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  375.9700  198.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  351.4600  200.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  401.9000  200.1400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  327.2900  201.4600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  388.6100  205.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  364.4300  206.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  339.9200  208.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  425.4200  212.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  389.5900  219.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  365.0900  221.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  340.5800  222.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  403.5500  223.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  431.9000  224.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  445.8600  225.6400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  353.5500  229.0400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  410.0400  236.1900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  423.9900  236.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  430.4800  249.8100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  444.4300  250.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  430.1500  264.5400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  441.4700  272.0100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  122.6600   79.0400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.3900   88.7100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  261.0200   88.4900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  236.8400   98.7100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  310.3600   99.4800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  113.6500  103.2100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.0300  114.4200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  273.6600  114.4200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
   97.8300  123.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.5400  124.8600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  298.1600  124.8600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  310.0300  131.7900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  335.0900  136.0700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  362.2300  133.8700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  399.0500  154.6400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  390.8000  176.7300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  432.3400  199.9200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  410.3700  211.2400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  377.0700  227.8300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  328.2800  230.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  451.8000  238.4900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  413.3300  256.3000    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  450.5900  263.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   77.9800   94.8700    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   64.0800   91.1400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7 55  2  0  0  0  0
  7 60  1  0  0  0  0
 10 17  1  0  0  0  0
 10 78  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 18  1  0  0  0  0
 12 23  1  0  0  0  0
 13 18  1  0  0  0  0
 13 56  2  0  0  0  0
 13 61  1  0  0  0  0
 14 19  1  0  0  0  0
 14 61  1  0  0  0  0
 15 24  1  0  0  0  0
 15 57  2  0  0  0  0
 15 62  1  0  0  0  0
 16  8  1  6  0  0  0
 16 20  1  0  0  0  0
 16 62  1  0  0  0  0
 17 60  1  0  0  0  0
 17 63  2  0  0  0  0
 19 58  1  0  0  0  0
 19 64  2  0  0  0  0
 20 59  1  0  0  0  0
 20 65  2  0  0  0  0
 21 25  1  0  0  0  0
 21 59  1  0  0  0  0
 22 60  1  0  0  0  0
 24 58  1  0  0  0  0
 25 66  2  0  0  0  0
 25 67  1  0  0  0  0
 26 67  1  0  0  0  0
 26 68  1  0  0  0  0
 28 27  1  6  0  0  0
 28 29  1  0  0  0  0
 28 68  1  0  0  0  0
 29 30  1  0  0  0  0
 30 69  2  0  0  0  0
 30 70  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 70  1  1  0  0  0
 33 35  1  0  0  0  0
 34 38  2  0  0  0  0
 34 39  1  0  0  0  0
 35 39  2  0  0  0  0
 35 40  1  0  0  0  0
 36 38  1  0  0  0  0
 36 72  1  0  0  0  0
 37 40  1  0  0  0  0
 38 42  1  0  0  0  0
 39 43  1  0  0  0  0
 40 44  2  0  0  0  0
 41 46  1  0  0  0  0
 41 71  2  0  0  0  0
 41 72  1  0  0  0  0
 42 45  1  0  0  0  0
 42 73  2  0  0  0  0
 43 48  2  0  0  0  0
 43 73  1  0  0  0  0
 44 48  1  0  0  0  0
 44 74  1  0  0  0  0
 45 49  2  0  0  0  0
 45 72  1  0  0  0  0
 46 47  1  0  0  0  0
 46 50  2  0  0  0  0
 47 75  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 51 53  1  0  0  0  0
 51 76  1  6  0  0  0
 52 75  1  0  0  0  0
 52 77  2  0  0  0  0
 53 54  1  0  0  0  0
 78 79  1  0  0  0  0
M  END
>  <Formula>
C55FN9O13S

$$$$
