HMDB0249423
     RDKit          3D
Bucrilate
 22 21  0  0  0  0  0  0  0  0999 V2000
    3.0411   -1.5588   -0.7351 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8184   -0.6302    0.1789 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7695   -0.3746    1.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5619   -0.1749    2.0547 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5924    0.1507    0.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3700    1.0427    1.0121 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6116   -0.0193   -0.8193 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5878    0.7031   -0.9038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4606    0.5386    0.3386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7287    1.3483    0.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8695   -0.9261    0.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9497   -2.1450   -0.7158 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3373   -1.7684   -1.5267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1193    0.3496   -1.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292    1.7965   -1.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9381    0.8450    1.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5393    0.9650    0.8241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5349    2.4343    0.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1279    1.2498   -0.8760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9182   -1.5057    0.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1825   -1.1885   -0.6520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6160   -1.1322    1.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  3  0
  2  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  1 12  1  0
  1 13  1  0
  8 14  1  0
  8 15  1  0
  9 16  1  0
 10 17  1  0
 10 18  1  0
 10 19  1  0
 11 20  1  0
 11 21  1  0
 11 22  1  0
M  END