TJL0158
 OpenBabel09292510182D

163  4  0  0  0  0  0  0  0  0999 V2000
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  638.9100  171.0800    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  630.8800  246.0700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
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  846.8800  307.5800    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
 1008.9200  245.5600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  927.9500  279.2900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  995.8900  296.1900    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
 1019.0700  287.7600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1031.9000  281.2200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1029.6500  267.0000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1015.4300  264.7500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1016.1200  233.0900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
 1003.7000  225.9200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 1028.5500  240.2700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 1023.3000  220.6700    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
 1008.9500  245.5200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
159160  2  0  0  0  0
159161  2  0  0  0  0
159162  1  0  0  0  0
163159  1  0  0  0  0
M  CHG  1 162  -1
M  END
>  <Formula>
C100N23O39S-

$$$$
TJL0158
 OpenBabel09292510183D

  5  1  0  0  0  0  0  0  0  0999 V2000
 1008.9500  245.5200    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
 1044.3700  288.4200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1027.9000  257.5500    0.0000 H   0  0  0  0  0 15  0  0  0  0  0  0
  235.2900  118.8800    0.0000 S   0  0  0  0  0  1  0  0  0  0  0  0
  170.8900  118.2100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  4  5  1  0  0  0  0
M  END
>  <Formula>
C2S

$$$$
