HMDB0033485
     RDKit          3D
Gentiatibetine
 23 24  0  0  0  0  0  0  0  0999 V2000
   -2.4721   -1.2741   -0.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6704   -0.0432    0.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2504    1.1470    0.2907 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5936    2.2984    0.4216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2099    2.2482    0.3114 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4163    1.0421    0.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3222   -0.1159   -0.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4425   -1.3558   -0.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2692   -2.5080   -0.1332 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5619   -1.3096    0.5581 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4519   -0.3825    0.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9139    1.0051   -0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3573   -1.9677    0.7662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2588   -1.7133   -1.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5521   -0.9868   -0.0985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0945    3.2552    0.6078 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3444    3.1827    0.4161 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8275   -1.3093   -1.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3834   -3.2540    0.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8322   -0.7191   -0.9353 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3615   -0.3790    0.7329 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3524    1.7086    0.7264 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    1.4310   -1.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
  7  2  1  0
 12  6  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  4 16  1  0
  5 17  1  0
  8 18  1  0
  9 19  1  0
 11 20  1  0
 11 21  1  0
 12 22  1  0
 12 23  1  0
M  END