TJL0537
 OpenBabel09292510192D

 61 65  0  0  1  0  0  0  0  0999 V2000
  540.6400  138.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  339.1000  142.6300    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  352.7100  145.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  528.5500  145.0300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  331.3600  153.9600    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  379.4000  159.6300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  403.9200  159.6300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  453.8100  159.6300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  478.6500  159.6300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  503.6000  159.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  528.5500  159.6300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  340.9500  165.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  366.5500  166.8200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  416.3400  166.8200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  441.2900  166.8200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  490.7400  166.8200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  540.1000  123.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  362.9500  135.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  502.8400  144.9200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  353.9100  159.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  428.5400  159.6300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  515.3700  169.1100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  390.9500  166.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  465.4700  166.4900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  337.6800  179.2400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  236.4600  153.4600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  234.7000  144.1300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  612.7100   75.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  600.2000   82.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  625.0000   82.2600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  625.0000   96.7400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  587.6900  103.8700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  612.3800  103.5500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  587.6900  118.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  575.1900  125.1600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  600.2000  125.6000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  575.1900  139.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  599.8700  139.7600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  587.6900  146.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  637.8400  161.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  625.0000  168.5100    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  600.2000  168.5100    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  600.2000  183.1000    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  625.0000  183.1000    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  612.7100  189.9000    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  600.7500   96.0800    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  562.6800  148.7500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  637.1800  146.6700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  587.0400  160.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  612.0600  160.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  652.2200  168.1800    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  584.8400  189.5800    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  639.1600  189.9000    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  614.4700  203.9500    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  612.7100   60.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  600.2400   53.5200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  587.7700   60.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  587.7700   75.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  625.1800   53.5200    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  575.3000   53.5200    0.0000 N   0  0  0  0  0  1  0  0  0  0  0  0
  575.3000   82.3200    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 17  2  0  0  0  0
  1 47  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 27  1  0  0  0  0
  3 18  2  0  0  0  0
  3 20  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 26  1  0  0  0  0
  6 13  1  0  0  0  0
  6 23  1  0  0  0  0
  7 14  1  0  0  0  0
  7 23  1  0  0  0  0
  8 15  1  0  0  0  0
  8 24  1  0  0  0  0
  9 16  1  0  0  0  0
  9 24  1  0  0  0  0
 10 16  1  0  0  0  0
 10 19  2  0  0  0  0
 10 22  1  0  0  0  0
 11 22  1  0  0  0  0
 12 20  1  0  0  0  0
 12 25  2  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 21  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 55  2  0  0  0  0
 29 46  1  0  0  0  0
 30 31  2  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 46  1  0  0  0  0
 33 46  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 35 37  2  0  0  0  0
 36 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 47  1  0  0  0  0
 38 39  2  0  0  0  0
 39 49  1  0  0  0  0
 40 48  2  0  0  0  0
 40 51  1  0  0  0  0
 41 40  1  1  0  0  0
 41 44  1  0  0  0  0
 41 50  1  0  0  0  0
 42 43  1  0  0  0  0
 42 49  1  1  0  0  0
 42 50  1  0  0  0  0
 43 45  1  0  0  0  0
 43 52  1  6  0  0  0
 44 45  1  0  0  0  0
 44 53  1  6  0  0  0
 45 54  1  1  0  0  0
 55 56  1  0  0  0  0
 55 59  1  0  0  0  0
 56 57  2  0  0  0  0
 57 58  1  0  0  0  0
 57 60  1  0  0  0  0
 58 29  2  0  0  0  0
 58 61  1  0  0  0  0
M  CHG  1  46   1
M  END
>  <Formula>
C40IN5O15+

$$$$
