HMDB0029758
     RDKit          3D
Herniarin
 21 22  0  0  0  0  0  0  0  0999 V2000
    3.5864    0.2124   -0.7416 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9735    0.1272    0.5080 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5778    0.0557    0.5597 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9232   -0.0299    1.7699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4567   -0.1011    1.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2410   -0.0900    0.6998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6231   -0.1616    0.7695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3367   -0.1450   -0.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6300   -0.0581   -1.5919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2948   -0.0442   -2.6586 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3086    0.0080   -1.6065 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5827   -0.0041   -0.5138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8003    0.0672   -0.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6687    0.4548   -0.6534 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4707   -0.7900   -1.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1560    1.0000   -1.4024 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5244   -0.0397    2.6724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9726   -0.1686    2.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1339   -0.2289    1.7249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4072   -0.1985   -0.4004 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3065    0.1344   -1.5357 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13  3  1  0
 12  6  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  4 17  1  0
  5 18  1  0
  7 19  1  0
  8 20  1  0
 13 21  1  0
M  END