HMDB0001382
     RDKit          3D
Vaporole
 19 18  0  0  0  0  0  0  0  0999 V2000
   -1.8781    1.3055   -0.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7131    0.5965    0.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1837   -0.8082    0.6035 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3937    0.5333   -0.7342 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6266   -0.1492   -0.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4002   -1.4663    0.1824 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4590   -2.1897    0.6771 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4592   -1.6159    1.1935 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4906    2.1303   -0.9891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3629    0.5723   -1.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6075    1.6935    0.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4179    1.0625    1.2325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5646   -1.2216    1.4365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0081   -1.4038   -0.3286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2657   -0.7852    0.8705 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6658    1.5353   -1.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0193   -0.0602   -1.5865 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3984   -0.1194   -1.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0702    0.3901    0.6619 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  3 13  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  0
  5 19  1  0
M  END