TJLLIN0139
 OpenBabel09292510412D

 50 50  0  0  1  0  0  0  0  0999 V2000
  297.3800  226.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  304.5800  238.7900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  345.5700  250.8600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  283.4300  250.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  297.8200  250.5300    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  318.6500  258.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  259.1700  263.3800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  328.5100  268.3600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  415.9000  269.4700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  365.6100  271.0200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  351.9900  274.3400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  388.6500  277.0000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  283.0900  280.4400    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  254.2900  281.9900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  299.3800  284.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  398.8400  286.8600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  435.6200  289.5200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  268.6900  291.0700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  422.3200  292.9500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  372.0400  294.3900    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  459.1000  295.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  275.4500  300.4800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  468.9600  305.4700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  299.3800  307.3500    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  506.0600  308.0200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  285.3100  310.6700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  492.0000  311.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  308.7900  316.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  515.9200  317.5400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  281.8700  323.9700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  512.4900  331.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  308.5700  214.5300    0.0000 N   0  0  0  0  0  1  0  0  0  0  0  0
  282.4300  226.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  275.1200  238.7900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  321.6400  244.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  304.2500  265.4800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  276.0000  263.1600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  341.3600  264.4900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  374.7000  280.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  462.0900  281.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  411.3600  283.3200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  305.2500  293.5100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  481.8100  298.0500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  444.9200  302.5900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  321.8600  313.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  488.4500  325.0700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  304.5800  330.8300    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  498.3100  335.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  525.1200  341.3600    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  313.2800  280.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  2  0  0  0  0
  3 38  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  2  0  0  0  0
  4 37  1  0  0  0  0
  5 36  1  0  0  0  0
  5  2  1  1  0  0  0
  6  8  1  0  0  0  0
  6 35  2  0  0  0  0
  6 36  1  0  0  0  0
  7 14  1  0  0  0  0
  7 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 41  1  0  0  0  0
 10 11  1  0  0  0  0
 10 39  1  0  0  0  0
 11 38  1  0  0  0  0
 12 16  1  0  0  0  0
 12 39  1  0  0  0  0
 13 15  1  1  0  0  0
 13 18  1  0  0  0  0
 13 37  1  0  0  0  0
 14 18  1  0  0  0  0
 15 42  1  0  0  0  0
 15 50  2  0  0  0  0
 16 41  1  0  0  0  0
 17 19  1  0  0  0  0
 17 44  1  0  0  0  0
 19 41  1  0  0  0  0
 20 39  1  0  0  0  0
 21 23  1  0  0  0  0
 21 40  2  0  0  0  0
 21 44  1  0  0  0  0
 22 26  1  0  0  0  0
 23 43  1  0  0  0  0
 24 28  1  1  0  0  0
 24 42  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 43  1  0  0  0  0
 27 46  2  0  0  0  0
 28 45  2  0  0  0  0
 28 47  1  0  0  0  0
 29 31  1  0  0  0  0
 31 48  2  0  0  0  0
 31 49  1  0  0  0  0
M  END
>  <Formula>
C31N9O10

$$$$
TJLLIN0139
 OpenBabel09292510412D

  2  1  0  0  0  0  0  0  0  0999 V2000
  504.3400  317.2500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  516.8100  310.0500    0.0000 S   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0  0  0  0
M  END
>  <Formula>
CS

$$$$
