TJL0450
 OpenBabel09292510192D

 56 58  0  0  1  0  0  0  0  0999 V2000
  708.0500  270.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  879.6000  355.1500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  794.2100  249.4300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  818.8300  348.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  659.3700  340.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  794.2100  277.7800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  794.2100  347.7900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  671.5700  319.7600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  781.6800  270.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  769.9200  277.4500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  659.3700  355.4800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  695.8500  291.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  622.5500  362.5100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  684.0900  312.8400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  843.2200  348.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  781.6800  299.5400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  708.0500  256.7900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  720.1400  249.7600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  867.8400  348.5600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  769.4800  292.1800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  806.4100  327.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  781.6800  256.4600    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  794.2100  333.8300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  806.7400  355.1500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  794.2100  292.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  610.0300  355.1500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  892.1300  348.1200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  732.6700  256.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  609.7000  340.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  806.7400  256.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  732.6700  270.4200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  818.5000  334.1600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  720.5800  277.7800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  635.0800  355.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  756.9500  256.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  791.4600  312.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  820.0300  312.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  646.2900  333.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  621.8900  333.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  768.8200  246.6800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  756.4100  270.6400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  820.3600  249.2100    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  693.3300  277.4500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  829.7100  357.9000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  805.7500  312.6200    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  646.2900  365.0400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  744.5400  246.6800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  634.2000  341.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  808.1700  298.9900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  854.4300  357.9000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  594.7500  334.1600    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  805.4200  270.6400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  842.2300  333.6100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  707.6100  298.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  680.8000  298.6600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  673.4300  334.1600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  1 33  2  0  0  0  0
  1 43  1  0  0  0  0
  3 30  1  0  0  0  0
  4 24  2  0  0  0  0
  4 44  1  0  0  0  0
  5 38  2  0  0  0  0
  5 11  1  0  0  0  0
  5 56  1  0  0  0  0
  6 25  2  0  0  0  0
  7 24  1  0  0  0  0
  8 56  1  0  0  0  0
  9  6  1  0  0  0  0
  9 10  2  0  0  0  0
 10 20  1  0  0  0  0
 11 46  1  0  0  0  0
 12 43  1  0  0  0  0
 12 55  1  0  0  0  0
 12 54  2  0  0  0  0
 14  8  1  0  0  0  0
 14 55  1  0  0  0  0
 15 44  1  0  0  0  0
 15 53  2  0  0  0  0
 15 50  1  0  0  0  0
 17  1  1  0  0  0  0
 18 17  2  0  0  0  0
 18 28  1  0  0  0  0
 19  2  1  0  0  0  0
 19 50  1  0  0  0  0
 20 16  2  0  0  0  0
 21 45  1  0  0  0  0
 21 23  1  0  0  0  0
 21 32  2  0  0  0  0
 22  3  1  1  0  0  0
 22  9  1  0  0  0  0
 22 40  1  0  0  0  0
 23  7  2  0  0  0  0
 25 16  1  0  0  0  0
 25 49  1  0  0  0  0
 26 13  1  0  0  0  0
 27  2  1  0  0  0  0
 28 47  1  0  0  0  0
 28 31  2  0  0  0  0
 29 39  2  0  0  0  0
 29 26  1  0  0  0  0
 29 51  1  0  0  0  0
 30 42  1  0  0  0  0
 30 52  2  0  0  0  0
 31 33  1  0  0  0  0
 32  4  1  0  0  0  0
 34 13  1  0  0  0  0
 34 46  1  0  0  0  0
 34 48  2  0  0  0  0
 35 40  1  0  0  0  0
 35 41  2  0  0  0  0
 35 47  1  0  0  0  0
 36 45  2  0  0  0  0
 45 37  2  0  0  0  0
 49 45  1  0  0  0  0
M  END
>  <Formula>
C35N9O11S

$$$$
TJL0450
 OpenBabel09292510192D

  3  2  0  0  0  0  0  0  0  0999 V2000
  622.3100  353.9100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  612.1300  364.0900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  614.9300  408.5600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
>  <Formula>
C2S

$$$$
TJL0450
 OpenBabel09292510192D

 75 80  0  0  1  0  0  0  0  0999 V2000
  572.6200  364.9800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  583.7200  404.1100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  480.7700  164.6500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  457.3500  174.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  430.1200  177.9400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  486.0000  177.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  500.3800  179.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  377.6200  185.1200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  407.4600  187.7400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  420.6400  189.2600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  463.7800  188.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  393.8500  190.0300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  476.9600  189.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  520.4200  196.4500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  464.1100  197.2200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  366.6200  199.8300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  427.8300  201.6800    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  481.8600  202.1200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  548.4100  201.6800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  474.6700  202.1200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  441.1200  203.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  498.0900  203.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  394.2800  207.7800    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  520.4200  211.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  506.0400  214.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  544.2700  216.0600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  410.0800  216.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  531.4200  220.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  371.6300  226.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  527.9400  235.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  379.9100  238.3900    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  514.4300  239.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  538.6100  244.3800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  399.9500  250.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  375.3300  251.2400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  413.8900  251.5700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  360.6300  253.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  510.9400  253.8600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  534.8000  258.0000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  522.2700  262.1300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  433.5000  265.9500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  461.4900  269.0000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  410.8400  275.7500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  438.8300  278.8000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  458.1100  293.0700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  472.4900  294.2700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  492.1000  308.9700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  469.7700  318.7800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  497.3300  321.8300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  517.0400  336.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  531.4200  337.7300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  536.6500  350.9100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  550.7000  352.1100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  556.6900  365.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  465.0900  162.5800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  508.1100  167.4800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  441.9900  172.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  449.7300  191.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  506.2600  192.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  421.4100  213.2300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  376.6400  214.2100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  446.2400  216.2800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  356.2700  228.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  502.6600  228.9100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  396.6800  236.8600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
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  418.5700  264.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  452.0100  280.3300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  477.3900  307.6700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  508.0000  347.8600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  547.1100  376.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  413.8100  230.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  6  1  0  0  0  0
  3 55  1  0  0  0  0
  4 11  1  0  0  0  0
  4 55  1  0  0  0  0
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  5 10  1  0  0  0  0
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  6 13  2  0  0  0  0
  7 56  2  0  0  0  0
  7 59  1  0  0  0  0
  8 12  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  6  0  0  0
 11 58  1  0  0  0  0
 12 23  1  0  0  0  0
 13 18  1  0  0  0  0
 14 24  1  0  0  0  0
 14 59  1  0  0  0  0
 15 20  1  0  0  0  0
 16 61  1  0  0  0  0
 17 10  1  6  0  0  0
 17 21  1  0  0  0  0
 17 60  1  0  0  0  0
 18 22  2  0  0  0  0
 19 26  1  0  0  0  0
 21 58  1  0  0  0  0
 21 62  2  0  0  0  0
 22 25  1  0  0  0  0
 22 59  1  0  0  0  0
 23 27  1  6  0  0  0
 23 61  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  2  0  0  0  0
 25 64  2  0  0  0  0
 26 28  1  0  0  0  0
 27 60  1  0  0  0  0
 27 75  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
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 29 63  2  0  0  0  0
 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
 31 65  1  0  0  0  0
 31 35  1  6  0  0  0
 32 38  1  0  0  0  0
 32 64  1  0  0  0  0
 33 39  2  0  0  0  0
 34 36  1  0  0  0  0
 34 65  1  0  0  0  0
 34 67  2  0  0  0  0
 35 37  1  0  0  0  0
 36 68  1  0  0  0  0
 37 66  2  0  0  0  0
 37 69  1  0  0  0  0
 38 40  2  0  0  0  0
 39 40  1  0  0  0  0
 41 44  1  0  0  0  0
 41 68  1  0  0  0  0
 42 70  1  0  0  0  0
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 44 70  1  0  0  0  0
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 45 70  1  0  0  0  0
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 48 71  1  0  0  0  0
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 50 51  1  0  0  0  0
 50 72  1  0  0  0  0
 50 73  2  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 74  2  0  0  0  0
 54  1  1  0  0  0  0
M  END
>  <Formula>
C53N11O11

$$$$
