HMDB0012251
     RDKit          3D
L-Canaline
 19 18  0  0  0  0  0  0  0  0999 V2000
    3.5268   -0.1231    0.1818 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3905   -0.6447   -0.3333 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2634   -0.1740    0.3779 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0113   -0.7601   -0.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2528   -0.3342    0.4757 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3596   -0.9510   -0.1597 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4584    1.1141    0.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6456    1.9094    1.0906 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6080    1.6883    0.0198 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3947    0.8939    0.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2958   -0.2368   -0.5068 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4116   -0.4469    1.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2951    0.9377    0.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0909   -1.8577   -0.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0420   -0.4700   -1.2868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2103   -0.7239    1.5334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2510   -1.8834   -0.5117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2680   -0.5420   -0.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5842    2.6042   -0.3875 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
  5  7  1  0
  7  8  2  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  3 12  1  0
  3 13  1  0
  4 14  1  0
  4 15  1  0
  5 16  1  1
  6 17  1  0
  6 18  1  0
  9 19  1  0
M  END