HMDB0031577
     RDKit          3D
Berteroin
 23 22  0  0  0  0  0  0  0  0999 V2000
    3.3847   -0.6520    0.9446 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5800   -0.6887   -0.6712 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7552    0.8946   -0.9983 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5959    1.1591   -0.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4910    0.1097   -0.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6169    0.4644    0.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7574   -0.5017    0.7061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3994   -0.6556   -0.5587 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8870   -1.3594   -1.4824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8061   -2.4938   -2.6453 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6786   -0.2191    1.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6555   -1.6717    1.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3128   -0.0456    0.9400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5163    1.0446   -2.0648 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5376    1.6831   -0.7787 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9149    1.3228    0.9395 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1293    2.1195   -0.4423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0263   -0.8324    0.2071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8037   -0.0801   -1.2289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0214    1.4761    0.4215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2731    0.5982    1.7652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4346   -1.5030    1.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5442   -0.1692    1.4264 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  2  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  7 22  1  0
  7 23  1  0
M  END