YSW0219
 OpenBabel09292510192D

 80 84  0  0  1  0  0  0  0  0999 V2000
  157.7200  251.9700    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  143.3200  251.9700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  559.0900  238.4700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  544.8900  236.3900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  564.3900  251.8100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  583.8800  267.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  601.2200  284.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  530.4600  251.5100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  552.3400  263.1300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  574.0600  277.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  516.1200  251.6300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  538.0000  263.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  577.7900  291.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0000  228.2000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  235.6600  216.0100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  300.1600  179.5200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  321.4900  166.6600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  171.9500  257.2800    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  185.1400  253.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.3500  228.3600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  293.2300  191.8200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  314.4400  179.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  400.8000  203.1000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  444.1100  227.5000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  465.7700  239.7000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  509.0800  264.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  530.9600  275.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  554.7700  290.1100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  379.1500  190.9100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  565.3600  299.2500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  343.1400  178.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  364.8000  191.0600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  408.1100  215.4500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  429.7700  227.6500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  473.0800  252.0500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  494.7300  264.2500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  516.4000  276.4400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  171.0500  272.3000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  213.7300  253.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  235.3900  240.8600    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  278.7000  216.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  300.3600  204.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  321.6300  191.7200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  184.4000  277.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4300  265.4100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  249.7400  241.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  271.4000  228.8200    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  314.4800  204.5300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  531.5100  300.7900    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  278.4400  241.3200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  292.7900  241.4800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  299.8300  253.9800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  321.2200  266.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  578.5900  253.8900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  598.1800  268.4700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  614.8000  289.4200    0.0000 N   0  0  0  0  0  1  0  0  0  0  0  0
  559.8200  275.3800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  591.5900  293.4100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.4800  240.2700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  357.4900  178.7100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  206.6900  240.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  271.6600  203.9700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  335.8400  166.5100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  422.4600  215.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  487.4300  251.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  386.4500  203.2600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  451.4200  239.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  538.4100  288.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  257.0500  228.6700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  192.0800  265.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  228.0800  253.2100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  293.0500  216.6200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  336.1000  191.3600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.7000  290.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  256.7800  253.5200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  314.1800  254.1400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  313.9100  278.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  335.5700  266.7900    0.0000 N   0  0  0  0  0  1  0  0  0  0  0  0
  539.5700  223.0100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  525.3300  220.9200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4 79  1  0  0  0  0
  5 54  1  0  0  0  0
  6 10  2  0  0  0  0
  6 54  1  0  0  0  0
  6 55  1  0  0  0  0
  7 55  2  0  0  0  0
  7 56  1  0  0  0  0
  7 58  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 12  1  0  0  0  0
  9 57  1  0  0  0  0
 10 13  1  0  0  0  0
 10 57  1  0  0  0  0
 11 26  2  0  0  0  0
 12 27  1  0  0  0  0
 13 30  1  0  0  0  0
 13 58  2  0  0  0  0
 14 20  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 22  1  0  0  0  0
 17 63  1  0  0  0  0
 18 19  1  0  0  0  0
 18 38  1  0  0  0  0
 18  1  1  0  0  0  0
 19 59  2  0  0  0  0
 19 70  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  2  0  0  0  0
 23 33  1  0  0  0  0
 23 66  1  0  0  0  0
 24 34  1  0  0  0  0
 24 67  1  0  0  0  0
 25 35  1  0  0  0  0
 25 67  1  0  0  0  0
 26 36  1  0  0  0  0
 26 37  1  0  0  0  0
 27 37  2  0  0  0  0
 27 68  1  0  0  0  0
 28 30  2  0  0  0  0
 28 57  1  0  0  0  0
 29 32  1  0  0  0  0
 29 66  1  0  0  0  0
 31 60  1  0  0  0  0
 31 63  1  0  0  0  0
 31 73  2  0  0  0  0
 32 60  1  0  0  0  0
 33 64  1  0  0  0  0
 34 64  1  0  0  0  0
 35 65  1  0  0  0  0
 36 65  1  0  0  0  0
 38 44  1  0  0  0  0
 39 45  1  0  0  0  0
 39 61  2  0  0  0  0
 39 71  1  0  0  0  0
 40 20  1  6  0  0  0
 40 46  1  0  0  0  0
 40 71  1  0  0  0  0
 41 47  1  0  0  0  0
 41 62  2  0  0  0  0
 41 72  1  0  0  0  0
 42 48  2  0  0  0  0
 42 72  1  0  0  0  0
 43 48  1  0  0  0  0
 44 70  1  0  0  0  0
 44 74  2  0  0  0  0
 45 70  1  0  0  0  0
 46 69  1  0  0  0  0
 46 75  2  0  0  0  0
 47 50  1  1  0  0  0
 47 69  1  0  0  0  0
 49 68  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 76  1  0  0  0  0
 53 76  1  0  0  0  0
 53 77  2  0  0  0  0
 53 78  1  0  0  0  0
 79 80  1  0  0  0  0
M  END
>  <Formula>
C54N12O13S

$$$$
