SCLIN0080
 OpenBabel09292510402D

 85 87  0  0  1  0  0  0  0  0999 V2000
  795.8500  212.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  639.5700  275.5100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  627.1000  268.3100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  614.6300  275.5100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  783.8900  234.0400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  602.1500  268.3100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  783.5600  248.5500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  822.9800  248.1000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  847.3400  248.5500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  589.6800  275.5100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  835.0500  255.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  810.3500  255.4100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  770.8200  256.4100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  577.2100  268.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  771.1600  269.4700    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  835.0500  269.8100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  564.7400  275.5100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  673.0500  269.8100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  697.7400  269.8100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  746.4600  269.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  810.3500  269.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  552.2700  268.3100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  659.9800  276.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  709.3700  276.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  734.3900  277.0000    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  783.2200  276.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  822.6500  277.0000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  734.8300  291.0700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  721.7700  298.2700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  746.7900  298.2700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  815.3400  206.1400    0.0000 N   0  0  0  0  0  1  0  0  0  0  0  0
  783.5600  205.0300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  539.8000  275.5100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  800.5000  226.8400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  527.3300  268.3100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  514.8600  275.5100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  502.3900  268.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  746.1300  254.9700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  859.0800  254.9700    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  721.5500  264.2700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  650.0100  264.4900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  795.8500  264.6000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  759.6400  280.9900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  489.9200  275.5100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  684.7900  276.6700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  660.0900  290.5100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  709.0400  290.5100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  783.3400  290.5100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  477.4500  268.3100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  464.9800  275.5100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  452.5100  268.3100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  440.0300  275.5100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  427.5600  268.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  415.0900  275.5100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  402.6200  268.3100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  390.1500  275.5100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  353.8700  268.8600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  252.7800  282.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  317.6600  278.6100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  317.7800  290.6800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  304.2700  294.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  278.4700  295.1100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  167.2900  307.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  145.2600  319.4700    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  167.4000  332.6400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  377.6800  268.3100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  329.6200  268.3100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  304.2700  271.0800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  367.0500  275.5100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  343.3500  275.5100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  281.5700  282.7000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  296.2900  282.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  259.9700  295.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  253.1100  306.7300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  238.7100  307.0600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  182.3500  307.0600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  231.8500  319.1300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  217.0100  319.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9500  319.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8800  319.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  160.7600  319.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0200  332.2000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  138.3300  306.8400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  137.7900  331.7800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  152.1900  332.0900    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  1 31  1  0  0  0  0
  1 32  2  0  0  0  0
  1 34  1  0  0  0  0
  2 41  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  7  1  0  0  0  0
  5 34  1  0  0  0  0
  6  4  1  0  0  0  0
  7 13  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 39  1  0  0  0  0
 10  6  1  0  0  0  0
 11 16  1  0  0  0  0
 12 21  2  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  6  0  0  0
 15 26  1  0  0  0  0
 15 43  1  0  0  0  0
 16 27  2  0  0  0  0
 17 14  1  0  0  0  0
 18 23  1  0  0  0  0
 18 45  1  0  0  0  0
 19 24  1  0  0  0  0
 19 45  1  0  0  0  0
 20 38  2  0  0  0  0
 20 43  1  0  0  0  0
 21 27  1  0  0  0  0
 21 42  1  0  0  0  0
 22 17  1  0  0  0  0
 23 41  1  0  0  0  0
 23 46  2  0  0  0  0
 24 40  1  0  0  0  0
 24 47  2  0  0  0  0
 25 20  1  1  0  0  0
 25 28  1  0  0  0  0
 25 40  1  0  0  0  0
 26 42  1  0  0  0  0
 26 48  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 33 22  1  0  0  0  0
 35 33  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 44 37  1  0  0  0  0
 49 44  1  0  0  0  0
 50 49  1  0  0  0  0
 51 50  1  0  0  0  0
 52 51  1  0  0  0  0
 53 52  1  0  0  0  0
 54 53  1  0  0  0  0
 55 54  1  0  0  0  0
 56 55  1  0  0  0  0
 60 59  1  0  0  0  0
 61 60  2  0  0  0  0
 64 83  2  0  0  0  0
 64 84  2  0  0  0  0
 64 85  1  0  0  0  0
 66 56  1  0  0  0  0
 67 59  1  0  0  0  0
 68 59  1  0  0  0  0
 69 57  1  0  0  0  0
 69 66  1  0  0  0  0
 70 57  1  0  0  0  0
 70 67  1  0  0  0  0
 71 62  1  0  0  0  0
 72 61  1  0  0  0  0
 72 68  2  0  0  0  0
 72 71  1  0  0  0  0
 73 58  2  0  0  0  0
 73 62  1  0  0  0  0
 74 73  1  0  0  0  0
 75 74  1  0  0  0  0
 76 63  2  0  0  0  0
 77 75  1  0  0  0  0
 78 77  1  0  0  0  0
 79 78  3  0  0  0  0
 80 76  1  0  0  0  0
 80 79  1  0  0  0  0
 81 63  1  0  0  0  0
 81 64  1  0  0  0  0
 81 65  2  0  0  0  0
 82 65  1  0  0  0  0
 82 80  2  0  0  0  0
M  END
>  <Formula>
C54N12O18S

$$$$
