TJL0505
 OpenBabel09292510192D

 61 64  0  0  1  0  0  0  0  0999 V2000
  506.4200   97.3000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  531.4100   97.3000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  330.7200  101.5600    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  518.5400  104.4000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  344.2500  104.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  322.8600  113.6700    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  370.9900  119.0200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  395.5400  119.0200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  445.0900  119.0200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  469.7500  119.0200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  494.3100  118.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  518.8600  118.5800    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  568.7400  118.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  332.5700  124.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  531.4100  125.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  358.2200  125.7900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  407.6600  125.7900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  432.6500  125.7900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  481.8700  125.7900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  555.9700  125.7900    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  556.3000  139.9700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  568.4100  147.5000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  568.4100  161.3600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  580.8500  183.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  354.4000   94.5700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  493.5400  103.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  567.8700  103.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  542.9800  115.0900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  345.5600  118.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  419.6600  118.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  382.2300  125.4600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  456.5500  125.4600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  506.4200  128.6200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  580.7400  128.6200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  329.1900  138.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  530.8700  139.8600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  583.3600  168.0200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  597.6600  190.3900    0.0000 N   0  0  0  0  0  1  0  0  0  0  0  0
  567.8700  189.7400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  234.9600  115.6700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  230.8200  105.0600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  665.6200   89.3400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  651.8700   92.7600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  675.6400   99.6900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  611.4700   99.6900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  636.3500   99.6900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  599.0300  106.9500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  623.5800  106.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  672.2300  113.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  658.3600  116.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  698.4200  118.2900    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  599.0300  120.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  623.5800  121.0400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  682.1300  123.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  611.1400  128.3100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  654.9500  130.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  678.7200  137.0000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  664.6300  140.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  648.3400  106.0700    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  637.8900  133.7000    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  656.8200  154.5000    0.0000 N   0  0  0  0  0  1  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 41  1  0  0  0  0
  5 25  2  0  0  0  0
  5 29  1  0  0  0  0
  6 14  1  0  0  0  0
  6 40  1  0  0  0  0
  7 16  1  0  0  0  0
  7 31  1  0  0  0  0
  8 17  1  0  0  0  0
  8 31  1  0  0  0  0
  9 18  1  0  0  0  0
  9 32  1  0  0  0  0
 10 19  1  0  0  0  0
 10 32  1  0  0  0  0
 11 19  1  0  0  0  0
 11 26  2  0  0  0  0
 11 33  1  0  0  0  0
 12 15  1  6  0  0  0
 12 33  1  0  0  0  0
 12  4  1  0  0  0  0
 13 20  1  0  0  0  0
 13 27  2  0  0  0  0
 13 34  1  0  0  0  0
 14 29  1  0  0  0  0
 14 35  2  0  0  0  0
 15 28  1  0  0  0  0
 15 36  2  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 30  1  0  0  0  0
 20 21  1  1  0  0  0
 20 28  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 37  1  0  0  0  0
 24 37  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  2  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
 43 59  2  0  0  0  0
 44 49  1  0  0  0  0
 45 47  2  0  0  0  0
 45 48  1  0  0  0  0
 46 48  1  0  0  0  0
 46 59  1  0  0  0  0
 47 52  1  0  0  0  0
 48 53  2  0  0  0  0
 49 50  1  0  0  0  0
 49 54  2  0  0  0  0
 50 56  2  0  0  0  0
 50 59  1  0  0  0  0
 51 54  1  0  0  0  0
 52 55  2  0  0  0  0
 52 34  1  0  0  0  0
 53 55  1  0  0  0  0
 54 57  1  0  0  0  0
 56 58  1  0  0  0  0
 56 60  1  0  0  0  0
 57 58  2  0  0  0  0
 58 61  1  0  0  0  0
M  CHG  1  59   1
M  END
>  <Formula>
C42IN8O10+

$$$$
