HMDB0301759
     RDKit          3D
Alliin
 22 21  0  0  0  0  0  0  0  0999 V2000
   -3.5341   -0.5062   -0.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8905    0.5992   -0.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0704    0.6718    1.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3558    1.0653    0.7321 S   0  0  0  0  0  4  0  0  0  0  0  0
   -0.1696    2.4477    0.1720 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3129   -0.2120   -0.3218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7669    0.0792   -0.6351 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2641   -0.9753   -1.4863 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5086    0.0582    0.6393 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2566    0.8798    1.5412 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4954   -0.8865    0.8321 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4575   -1.3886    0.1059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1169   -0.5303   -1.4176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9567    1.4874   -0.7824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0779   -0.3496    1.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5190    1.3416    1.8236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2684   -0.2486   -1.2584 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2915   -1.1724    0.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8369    1.0683   -1.1325 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3247   -0.9839   -1.4622 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8975   -1.8874   -1.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4616   -0.5578    0.7720 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  6
  8 20  1  0
  8 21  1  0
 11 22  1  0
M  END