HMDB0304928
     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.3909    0.6784    4.0993 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5036   -0.3328    2.9922 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.2453   -1.6860    3.6021 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0964   -0.2898    2.4533 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5914   -0.0471    1.7763 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0594    0.6681    0.7423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6762    1.8959    0.4297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8352    2.9332    1.3727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1123    1.8491   -0.7706 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7429    0.6292   -1.4035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9752    0.1166   -2.6815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4811   -1.1246   -3.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2438   -1.8720   -2.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4794   -1.3833   -0.8476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0252   -0.1264   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2449   -0.8658    1.6636 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1214    0.8459    1.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4206    3.7142    1.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5399    0.7358   -3.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6604   -1.5253   -4.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6280   -2.8610   -2.3946 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0472   -1.9522   -0.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  2  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  6  1  0
 15 10  1  0
  4 16  1  0
  6 17  1  0
  8 18  1  0
 11 19  1  0
 12 20  1  0
 13 21  1  0
 14 22  1  0
M  END