HMDB0304903
     RDKit          3D

 23 23  0  0  0  0  0  0  0  0999 V2000
    4.5877    0.4427   -0.3967 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7797    1.2185    0.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2194    2.4370    0.6142 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3496    0.8443    0.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9213   -0.3180   -0.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5466   -0.7354   -0.1707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2206   -1.9888   -0.6984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0682   -2.4418   -0.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0799   -1.7010   -0.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3909   -2.1845   -0.0924 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.7640   -0.4671    0.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7484    0.3033    0.9559 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5830    1.3882   -0.0704 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.4354    0.9802   -1.5084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0289    1.3434    0.3069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9255    2.9231    0.0805 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.4742   -0.0140    0.3666 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1733    2.4638    0.9893 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6402    1.5191    0.6802 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6827   -0.9529   -0.6861 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9882   -2.5948   -1.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3327   -3.4275   -1.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2781    0.9621    0.7887 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  2  0
 13 16  1  0
 11 17  2  0
 17  6  1  0
  3 18  1  0
  4 19  1  0
  5 20  1  0
  7 21  1  0
  8 22  1  0
 17 23  1  0
M  CHG  2  10  -1  16  -1
M  END