HMDB0033592
     RDKit          3D
(R)C(S)S-Alliin
 22 21  0  0  0  0  0  0  0  0999 V2000
    3.4930    0.2249    0.7278 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0124   -0.9555    0.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6433   -1.0526   -0.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8968    0.5644   -0.2740 S   0  0  0  0  0  4  0  0  0  0  0  0
    1.6966    1.4142   -1.2914 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7709    0.5000   -0.9404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6844   -0.3544   -0.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9946   -0.3253   -0.7330 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8639    0.2254    1.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875    0.3317    2.0676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0895    0.6788    1.7386 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9507    1.1474    0.6351 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5028    0.2950    1.1384 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6102   -1.8290    0.5012 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0634   -1.7084    0.5044 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7222   -1.5536   -1.1645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7718    0.0845   -1.9506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1770    1.5315   -0.8996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2567   -1.3608   -0.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8946   -0.7425   -1.7026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2485    0.6791   -0.8884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9521    0.5710    1.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  6 17  1  0
  6 18  1  0
  7 19  1  0
  8 20  1  0
  8 21  1  0
 11 22  1  0
M  END