HMDB0000731
     RDKit          3D
Cysteine-S-sulfate
 18 17  0  0  0  0  0  0  0  0999 V2000
   -1.6800    0.6283    1.3057 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6770    0.1058   -0.0582 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3413    0.4161   -0.7157 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9850   -0.2722    0.1034 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8405    0.0484   -0.6470 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.1010    0.8449   -1.8505 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3391   -1.3278   -0.9134 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5985    0.8284    0.6129 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8636   -1.3639   -0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8820   -1.9520   -1.1629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0189   -2.1307    1.0848 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0732    1.6051    1.2758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6872    0.6055    1.6323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4810    0.6199   -0.6606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3175    1.5373   -0.8496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4439    0.0334   -1.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1544    1.7015    0.7227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5528   -1.9280    1.9504 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  2  0
  5  8  1  0
  2  9  1  0
  9 10  2  0
  9 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  6
  3 15  1  0
  3 16  1  0
  8 17  1  0
 11 18  1  0
M  END