YMQ0459
 OpenBabel09292510192D

 84 88  0  0  1  0  0  0  0  0999 V2000
  356.1300  148.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  343.6600  169.7300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  521.4600  180.6500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  533.4900  187.4900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  343.6600  184.1300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  508.8000  187.8500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  331.1900  191.3300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  533.7600  201.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  559.1700  201.8800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  595.3300  204.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  509.4100  202.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  570.8000  208.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  381.3700  205.5300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  546.2300  209.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  521.4200  209.8600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  331.1900  205.7300    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  306.2500  205.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4800  205.7300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  256.3600  205.7300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  471.5200  213.2500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  601.2800  217.2300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  393.3200  212.8500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  343.6600  212.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  368.6000  212.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  293.7800  212.9300    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  194.0100  212.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  268.8300  212.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9500  212.9300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  243.8900  212.9300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  571.0200  223.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  546.4700  223.5300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  595.3700  229.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  468.1400  227.2500    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  393.3100  227.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  558.4200  230.8700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  581.5800  232.8400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  368.5700  228.1200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  481.7600  231.1800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  293.7800  227.3300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  430.7200  234.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  455.6700  234.4500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  405.7800  234.4500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  381.0000  234.6600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  604.3800  240.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  306.2500  234.5300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  281.3100  234.5300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  584.9300  256.5300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  608.1700  265.5700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  579.7100  269.9500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  565.4800  272.1400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  602.9500  278.9900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  611.9700  290.2200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  615.7600  314.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  587.2900  319.2500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  596.3100  330.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  591.0900  343.9000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  582.0700  332.6700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  368.6000  140.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  343.6600  140.9300    0.0000 N   0  0  0  0  0  1  0  0  0  0  0  0
  356.1300  162.5300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  604.5300  192.9300    0.0000 N   0  0  0  0  0  1  0  0  0  0  0  0
  306.2500  191.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  489.7400  196.9600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  581.3400  200.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  356.1300  205.7300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  281.3100  205.7300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  496.9400  209.4300    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  181.5400  205.7300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  231.4200  205.7300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  318.7200  212.9300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  484.4700  216.6300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  443.2000  227.2500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  504.1400  221.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  418.2500  227.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  343.6600  227.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  618.6100  238.7300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.0100  227.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  268.8300  227.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  430.7200  248.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  599.1600  254.3400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  606.7500  303.6400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  629.9900  312.6800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  610.5400  328.2900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  111.9700  236.4100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  1 58  2  0  0  0  0
  1 59  1  0  0  0  0
  1 60  1  0  0  0  0
  2  5  1  0  0  0  0
  2 60  1  0  0  0  0
  3  4  2  0  0  0  0
  3  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  8 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 12  2  0  0  0  0
  9 14  1  0  0  0  0
 10 21  1  0  0  0  0
 10 61  1  0  0  0  0
 10 64  2  0  0  0  0
 11 15  1  0  0  0  0
 11 67  1  0  0  0  0
 12 30  1  0  0  0  0
 12 64  1  0  0  0  0
 13 22  1  0  0  0  0
 13 24  2  0  0  0  0
 14 31  2  0  0  0  0
 16  7  1  6  0  0  0
 16 23  1  0  0  0  0
 16 70  1  0  0  0  0
 17 62  2  0  0  0  0
 17 70  1  0  0  0  0
 18 26  1  0  0  0  0
 18 28  1  0  0  0  0
 19 27  1  0  0  0  0
 19 29  1  0  0  0  0
 20 33  1  0  0  0  0
 20 71  1  0  0  0  0
 21 32  1  0  0  0  0
 22 34  2  0  0  0  0
 23 65  1  0  0  0  0
 23 75  2  0  0  0  0
 24 37  1  0  0  0  0
 24 65  1  0  0  0  0
 25 17  1  1  0  0  0
 25 39  1  0  0  0  0
 25 66  1  0  0  0  0
 26 68  1  0  0  0  0
 26 77  2  0  0  0  0
 27 66  1  0  0  0  0
 27 78  2  0  0  0  0
 28 69  1  0  0  0  0
 29 69  1  0  0  0  0
 30 35  2  0  0  0  0
 30 36  1  0  0  0  0
 31 35  1  0  0  0  0
 32 36  2  0  0  0  0
 32 44  1  0  0  0  0
 33 38  1  0  0  0  0
 33 41  1  0  0  0  0
 34 42  1  0  0  0  0
 34 43  1  0  0  0  0
 37 43  2  0  0  0  0
 38 71  1  0  0  0  0
 39 45  1  0  0  0  0
 39 46  1  0  0  0  0
 40 72  1  0  0  0  0
 40 74  1  0  0  0  0
 40 79  2  0  0  0  0
 41 72  1  0  0  0  0
 42 74  1  0  0  0  0
 44 76  2  0  0  0  0
 44 80  1  0  0  0  0
 47 49  1  0  0  0  0
 47 80  1  0  0  0  0
 48 51  1  0  0  0  0
 48 80  1  0  0  0  0
 49 50  1  0  0  0  0
 51 52  1  0  0  0  0
 52 81  1  0  0  0  0
 53 81  1  0  0  0  0
 53 82  2  0  0  0  0
 53 83  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 55 57  1  0  0  0  0
 55 83  1  0  0  0  0
 63 67  2  0  0  0  0
 67 71  1  0  0  0  0
 67 73  2  0  0  0  0
 84 68  1  0  0  0  0
M  END
>  <Formula>
C58N12O13S

$$$$
