HMDB0302302
     RDKit          3D
Arctinal
 23 24  0  0  0  0  0  0  0  0999 V2000
    6.1495    0.0308    1.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7572    0.0573    0.8317 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6090    0.0963    0.4658 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125    0.1468    0.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7101    0.0722   -1.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862    0.1405   -1.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3667    0.2800   -0.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8356    0.3793   -0.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7174    0.3474   -1.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0284    0.4533   -0.8436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3492    0.5823    0.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6863    0.7141    1.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6782    0.7153    0.3705 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8216    0.5526    1.2453 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8025    0.3113    0.9985 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8555   -0.0406    0.4254 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3776   -0.7925    1.9613 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3154    0.9788    1.8561 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4155   -0.0411   -2.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1278    0.0904   -2.3567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3877    0.2393   -2.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8566    0.4421   -1.5892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7357    0.8051    2.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  3  0
  3  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
 10 11  2  0
 11 12  1  0
 12 13  2  0
 11 14  1  0
  7 15  1  0
 15  4  1  0
 14  8  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  5 19  1  0
  6 20  1  0
  9 21  1  0
 10 22  1  0
 12 23  1  0
M  END