HMDB0038761
     RDKit          3D
Herierin IV
 22 22  0  0  0  0  0  0  0  0999 V2000
   -2.9337    0.9689   -0.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2340   -0.2960    0.4306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8168   -1.3546   -0.3048 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7803   -0.1913    0.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2492    0.8277   -0.5954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    0.9036   -0.8212 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8806    0.0251   -0.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3299    0.1630   -0.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9258    0.6822    0.5373 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4169   -1.0169    0.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0588   -1.1365    0.6906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3579   -2.1061    1.4046 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9656    0.9430    0.3480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9431    1.0372   -1.1509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4176    1.8576    0.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4555   -0.4209    1.5067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1595   -2.0555   -0.4832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9335    1.5721   -1.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7976   -0.7964   -0.9360 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625    0.9234   -1.4392 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2502    1.2515    0.9860 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0840   -1.7811    0.8518 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  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  2  0
 11  4  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  3 17  1  0
  5 18  1  0
  8 19  1  0
  8 20  1  0
  9 21  1  0
 10 22  1  0
M  END