WS0047
 OpenBabel09292510192D

111115  0  0  1  0  0  0  0  0999 V2000
  723.3300  391.8800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  747.9300  391.8800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  735.6300  398.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  711.0300  398.9800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  735.6300  413.1800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  674.1400  434.4800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  711.0300  413.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  686.4400  441.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  661.8400  441.5800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  723.3300  420.2800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  563.4600  455.7800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  588.0600  455.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  612.6500  455.7800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  661.8400  455.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  686.4400  455.7800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  649.5500  462.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  289.6300  455.7800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  314.2300  455.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  575.7600  462.8800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  624.9500  462.8800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  338.8200  455.7800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  674.1400  462.8800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  264.3600  457.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  351.1200  462.8800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  301.9300  462.8800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  254.8600  467.6500    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  275.8500  477.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  261.9600  479.9500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  760.2200  398.9800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  698.7400  434.4800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  588.0600  441.5800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  637.2500  455.7800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  698.7400  420.2800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  314.2300  441.5800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  261.4100  443.2100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  363.4200  455.7800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  600.3600  462.8800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  277.3300  462.8800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  326.5200  462.8800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  649.5500  477.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  286.4000  486.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  240.7400  466.1700    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  772.5200  391.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  772.5200  377.6800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  375.7100  462.8800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  388.0100  455.7800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  400.3100  462.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  412.6100  455.7800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  424.9000  462.8800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  437.2000  455.7800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  449.5000  462.8800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  461.8000  455.7800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  474.0900  462.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  486.3900  455.7800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  498.6900  462.8800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  510.9900  455.7800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  523.2900  462.8800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  535.5800  455.7800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  547.8800  462.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  877.4600  379.8600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  877.4600  394.0600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  865.1700  401.1600    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  852.8700  394.0600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  865.1700  415.3600    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  877.4600  422.4600    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  889.7600  415.3600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  902.0600  422.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  902.0600  436.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  914.3600  415.3600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  927.3300  421.1400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  936.8300  410.5900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  929.7300  398.2900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  915.8400  401.2400    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  905.2900  391.7400    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  908.2400  377.8500    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  898.2000  367.8100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  921.7500  373.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  925.4200  359.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  931.7900  383.5000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  945.5000  379.8300    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  949.1800  366.1100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  955.5400  389.8700    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  969.2600  386.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  972.9400  372.4800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  986.6500  368.8000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  996.6900  378.8400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  993.0200  392.5600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  979.3000  396.2400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  951.8700  403.5900    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  891.7800  396.1300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  889.5700  406.5500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  877.4600  436.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  889.7600  443.7600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  852.8700  422.4600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  852.8700  436.6600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  840.5700  415.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  840.5700  401.1600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  828.2700  422.4600    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  828.2700  436.6600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  815.9800  443.7600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  840.5700  443.7600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  815.9800  415.3600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  803.6800  422.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  803.6800  436.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  791.3800  415.3600    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  779.0800  422.4600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  779.0800  436.6600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  791.3800  401.1600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  803.6800  394.0600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  766.7900  415.3600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  228.2700  458.9700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  3  5  1  0  0  0  0
  4  7  2  0  0  0  0
  5 10  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 33  1  0  0  0  0
  8 15  1  0  0  0  0
  8 30  1  0  0  0  0
  9 14  2  0  0  0  0
 11 19  1  0  0  0  0
 12 19  1  0  0  0  0
 12 31  2  0  0  0  0
 12 37  1  0  0  0  0
 13 20  1  0  0  0  0
 14 16  1  0  0  0  0
 14 22  1  0  0  0  0
 15 22  2  0  0  0  0
 16 32  1  0  0  0  0
 16 40  2  0  0  0  0
 17 25  1  0  0  0  0
 18 25  1  0  0  0  0
 18 34  2  0  0  0  0
 18 39  1  0  0  0  0
 20 32  1  0  0  0  0
 21 24  1  0  0  0  0
 21 39  1  0  0  0  0
 23 26  1  0  0  0  0
 23 35  2  0  0  0  0
 23 38  1  0  0  0  0
 24 36  1  0  0  0  0
 26 28  1  0  0  0  0
 26 42  1  0  0  0  0
 27 28  1  0  0  0  0
 27 38  1  0  0  0  0
 27 41  2  0  0  0  0
 30 33  2  0  0  0  0
 36 45  1  0  0  0  0
 37 13  1  0  0  0  0
 38 17  1  0  0  0  0
 42111  1  0  0  0  0
 43 44  2  0  0  0  0
 43 29  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 54 55  1  0  0  0  0
 54 53  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 59 11  1  0  0  0  0
 60 61  1  0  0  0  0
 61 62  1  0  0  0  0
 62 63  1  6  0  0  0
 62 64  1  0  0  0  0
 64 65  1  0  0  0  0
 64 94  1  6  0  0  0
 65 66  1  6  0  0  0
 65 92  1  0  0  0  0
 66 67  1  0  0  0  0
 67 68  2  0  0  0  0
 67 69  1  0  0  0  0
 69 70  1  0  0  0  0
 69 73  1  0  0  0  0
 70 71  1  0  0  0  0
 71 72  1  0  0  0  0
 73 72  1  0  0  0  0
 73 74  1  1  0  0  0
 74 75  1  0  0  0  0
 74 90  1  1  0  0  0
 75 76  1  6  0  0  0
 75 77  1  0  0  0  0
 77 78  2  0  0  0  0
 77 79  1  0  0  0  0
 79 80  1  0  0  0  0
 80 81  1  1  0  0  0
 80 82  1  0  0  0  0
 82 83  1  0  0  0  0
 82 89  1  1  0  0  0
 83 84  2  0  0  0  0
 83 88  1  0  0  0  0
 84 85  1  0  0  0  0
 85 86  2  0  0  0  0
 86 87  1  0  0  0  0
 87 88  2  0  0  0  0
 90 91  1  0  0  0  0
 92 93  1  0  0  0  0
 94 95  1  0  0  0  0
 94 96  1  0  0  0  0
 96 97  2  0  0  0  0
 98 96  1  1  0  0  0
 98 99  1  0  0  0  0
 98102  1  0  0  0  0
 99100  1  0  0  0  0
 99101  1  0  0  0  0
102103  1  0  0  0  0
103104  2  0  0  0  0
105103  1  1  0  0  0
105106  1  0  0  0  0
105108  1  0  0  0  0
106107  1  0  0  0  0
106110  1  0  0  0  0
108109  1  0  0  0  0
108 43  1  0  0  0  0
M  END
>  <Formula>
C79N11O20S

$$$$
