HMDB0013679
     RDKit          3D
Bergaptol
 21 23  0  0  0  0  0  0  0  0999 V2000
    4.4591    1.1047    0.4249 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2896    0.6147    0.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1573   -0.7576    0.2785 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8899   -1.2773    0.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7942   -0.4435    0.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4974   -0.9449   -0.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6488   -2.3182   -0.0931 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5764   -0.0964   -0.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9305   -0.2821   -0.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5128    0.9613   -0.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5693    1.8497   -0.2088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3845    1.2732   -0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0942    1.7408    0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0102    0.9186    0.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2404    1.4106    0.2259 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0531   -1.3878    0.3515 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7577   -2.3481    0.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5396   -2.7827   -0.1815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4071   -1.2509   -0.3306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5609    1.1882   -0.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0700    2.8277    0.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15  2  1  0
 14  5  1  0
 12  8  2  0
  3 16  1  0
  4 17  1  0
  7 18  1  0
  9 19  1  0
 10 20  1  0
 13 21  1  0
M  END