HMDB0060946
     RDKit          3D
NAPQI
 18 18  0  0  0  0  0  0  0  0999 V2000
    3.1116    0.5039   -0.4133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2185   -0.3126    0.4486 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4446   -0.4209    1.6915 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1132   -0.9800   -0.0761 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1068   -0.5625   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4994    0.6912    0.6118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7696    1.0695    0.6382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8356    0.2681    0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0390    0.6339    0.0745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4440   -0.9862   -0.5878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1737   -1.3611   -0.6123 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -0.2009   -1.1925 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9324    0.9230    0.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4889    1.3016   -0.8692 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2685    1.3092    1.0611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0747    1.9995    1.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2324   -1.5826   -1.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9192   -2.2932   -1.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11  5  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  6 15  1  0
  7 16  1  0
 10 17  1  0
 11 18  1  0
M  END