WS0049
 OpenBabel09292510192D

 77 83  0  0  1  0  0  0  0  0999 V2000
  988.9500  258.0200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
 1006.5400  275.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 1020.5200  279.5000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  996.4900  285.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  965.0500  291.3600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
 1024.0100  293.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 1038.3200  296.5300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
 1000.0900  299.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 1014.2900  303.2400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
 1041.9200  310.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 1055.8200  313.9900    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  967.3300  315.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 1032.2100  320.7200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  974.3400  327.8500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
 1036.0300  334.9400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  800.5200  337.6000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  924.5900  340.5400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  967.6400  340.5400    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  788.9400  346.0700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
 1025.9800  344.9100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  960.7600  348.6800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  946.1100  352.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  974.6500  352.2900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  931.7600  352.9700    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
 1053.6200  351.4600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
 1029.5800  358.0200    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  790.4800  360.3400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  910.2400  365.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  974.0400  365.8000    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
 1005.5500  365.0700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
 1019.8600  367.9900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  995.9500  375.3700    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  888.7100  377.8200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  903.0600  377.8200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  931.7600  377.8200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  858.4900  378.9000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  805.1000  380.3400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  982.0500  378.9700    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  780.4400  383.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  844.7900  383.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  818.3400  386.4400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  793.5600  388.8700    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  867.1900  390.2500    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  976.6600  392.2600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
 1013.4100  392.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  819.7300  400.4100    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  858.1800  401.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  794.8900  403.0700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  832.8500  406.2400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  808.2000  408.8300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
 1002.8100  261.7200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  982.6100  282.2400    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  973.4700  302.9700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  952.9800  315.7800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  798.9800  323.3300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  953.2900  340.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  903.0600  352.9700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  961.1400  360.0900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  953.2900  365.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 1043.4700  361.6100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 1034.0000  370.4200    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  924.5900  365.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  778.9000  368.8100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  833.3400  374.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 1026.4500  382.2800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  988.7800  387.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  998.9900  389.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  881.5400  390.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  768.8500  391.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  844.4500  397.7900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 1016.4700  406.5300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  862.6000  415.6100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  809.6200  313.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  803.7400  300.6100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  789.4800  302.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  786.5300  316.2000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  779.8400  291.5100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  1 51  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 51  1  0  0  0  0
  3  6  2  0  0  0  0
  4  8  1  0  0  0  0
  4 52  1  0  0  0  0
  5 53  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
  8 53  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 53  1  0  0  0  0
 12 54  2  0  0  0  0
 13 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 20  2  0  0  0  0
 16 19  1  0  0  0  0
 16 55  1  0  0  0  0
 18 23  1  0  0  0  0
 18 56  1  0  0  0  0
 19 27  1  0  0  0  0
 20 26  1  0  0  0  0
 22 24  1  0  0  0  0
 22 56  1  0  0  0  0
 22 59  2  0  0  0  0
 23 21  1  1  0  0  0
 23 29  1  0  0  0  0
 23 58  1  0  0  0  0
 24 17  1  6  0  0  0
 24 62  1  0  0  0  0
 25 60  1  0  0  0  0
 26 31  1  0  0  0  0
 26 60  1  6  0  0  0
 27 63  1  0  0  0  0
 28 34  1  0  0  0  0
 28 57  2  0  0  0  0
 28 62  1  0  0  0  0
 29 38  1  0  0  0  0
 29 58  1  1  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 61  1  6  0  0  0
 31 65  1  0  0  0  0
 32 38  1  0  0  0  0
 32 66  1  6  0  0  0
 32 67  1  0  0  0  0
 33 34  1  0  0  0  0
 33 68  1  0  0  0  0
 35 62  1  0  0  0  0
 36 40  1  0  0  0  0
 36 43  1  0  0  0  0
 37 41  1  0  0  0  0
 37 42  1  0  0  0  0
 38 44  1  6  0  0  0
 39 42  1  0  0  0  0
 39 63  1  0  0  0  0
 39 69  2  0  0  0  0
 40 64  2  0  0  0  0
 40 70  1  0  0  0  0
 41 46  1  0  0  0  0
 42 48  1  0  0  0  0
 43 47  1  0  0  0  0
 43 68  1  0  0  0  0
 45 65  1  0  0  0  0
 45 71  2  0  0  0  0
 46 49  1  0  0  0  0
 46 50  1  0  0  0  0
 47 70  1  0  0  0  0
 47 72  2  0  0  0  0
 48 50  1  0  0  0  0
 49 70  1  0  0  0  0
 55 73  1  0  0  0  0
 67 45  1  0  0  0  0
 73 74  2  0  0  0  0
 74 75  1  0  0  0  0
 75 76  2  0  0  0  0
 75 77  1  0  0  0  0
 76 55  1  0  0  0  0
M  END
>  <Formula>
C53HClN8O13S

$$$$
