HMDB0304912
     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.6015    0.9295    0.9640 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6403    0.3039    0.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9002   -0.8332   -0.2629 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4898   -1.4471   -0.4895 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.5466   -2.4041   -1.6197 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4028   -0.2785   -0.8221 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9919   -2.1781    0.9239 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3351    0.8353    0.6544 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0011    1.9393    1.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3615    2.1398    1.3198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9015    1.1076    0.5872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1987    0.7836    0.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4280   -0.3440   -0.5272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3935   -1.1561   -0.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1014   -0.8020   -0.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8388    0.3247    0.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8629   -1.7781    1.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7020    2.6055    1.8496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9475    2.9309    1.7718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0421    1.3965    0.5413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4379   -0.6106   -0.8118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5521   -2.0453   -1.5414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2689   -1.4195   -0.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  2  0
  4  7  1  0
  2  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16  8  1  0
 16 11  1  0
  7 17  1  0
  9 18  1  0
 10 19  1  0
 12 20  1  0
 13 21  1  0
 14 22  1  0
 15 23  1  0
M  END