TJL0556
 OpenBabel09292510192D

 62 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
  528.5500  145.0300    0.0000 C   0  0  0  0  0  2  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
  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
  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 C   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
  575.1900  139.7600    0.0000 C   0  0  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
  587.6600  146.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  600.1300  139.7600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  600.1300  125.3600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  587.6600  118.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  575.1900  125.3600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  587.6600  161.3600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  587.6600  103.7600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  600.1300   96.5600    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  613.5000  164.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  601.0300  171.2000    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  601.0300  185.6000    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  613.5000  192.8000    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  625.9700  185.6000    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  625.9700  171.2000    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  636.1500  195.7800    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  221.9400  211.8900    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  353.9100  144.7900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  612.6000  103.7600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  625.0700   96.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  625.0700   82.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  612.6000   74.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  600.1300   82.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  587.6600   74.9600    0.0000 N   0  0  0  0  0  1  0  0  0  0  0  0
  612.6000   60.5600    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  600.1300   53.3600    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  625.0700   53.3600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  638.4400  164.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  613.5000  207.2000    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  588.5600  192.8000    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  638.4400  149.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  650.9100  171.2000    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  637.5400   74.9600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  652.0000   85.5000    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  652.0000   99.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  665.7000  104.3500    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  674.1600   92.7000    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  665.7000   81.0500    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  672.9000   68.5800    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  688.5600   92.7000    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  672.9000  116.8200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  662.7100  127.0000    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  2  0  0  0  0
  1 21  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 18  1  0  0  0  0
  4 10  1  0  0  0  0
  4 18  1  0  0  0  0
  5 11  1  0  0  0  0
  5 19  1  0  0  0  0
  6 12  1  0  0  0  0
  6 19  1  0  0  0  0
  7 12  1  0  0  0  0
  7 14  2  0  0  0  0
  7 17  1  0  0  0  0
  8 17  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 16  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 28  1  0  0  0  0
 26 20  1  0  0  0  0
 28 29  1  0  0  0  0
 29 39  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 27  1  1  0  0  0
 32 33  1  0  0  0  0
 32 50  1  6  0  0  0
 33 34  1  0  0  0  0
 33 49  1  1  0  0  0
 34 35  1  0  0  0  0
 34 36  1  6  0  0  0
 35 30  1  0  0  0  0
 35 48  1  1  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 41 53  1  0  0  0  0
 42 43  2  0  0  0  0
 42 45  1  0  0  0  0
 43 29  1  0  0  0  0
 43 44  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  2  0  0  0  0
 48 51  2  0  0  0  0
 48 52  1  0  0  0  0
 54 55  1  0  0  0  0
 54 53  1  1  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 56 61  1  6  0  0  0
 57 58  1  0  0  0  0
 57 60  1  1  0  0  0
 58 54  1  0  0  0  0
 58 59  1  1  0  0  0
 61 62  1  0  0  0  0
M  CHG  3  29   1  45   1  46  -1
M  END
>  <Formula>
C36N7O19+

$$$$
