COMPND    HMDB0243707
HETATM    1  C1  UNL     1      -4.013  -0.876   0.844  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.577   0.466   0.279  1.00  0.00           C  
HETATM    3  C3  UNL     1      -4.434   1.531   0.984  1.00  0.00           C  
HETATM    4  N1  UNL     1      -2.193   0.667   0.501  1.00  0.00           N  
HETATM    5  C4  UNL     1      -1.421   1.268  -0.526  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.167   0.413  -1.755  1.00  0.00           C  
HETATM    7  O1  UNL     1      -2.324   0.004  -2.350  1.00  0.00           O  
HETATM    8  C6  UNL     1      -0.199  -0.666  -1.365  1.00  0.00           C  
HETATM    9  O2  UNL     1       0.957  -0.006  -0.866  1.00  0.00           O  
HETATM   10  C7  UNL     1       2.067  -0.655  -0.371  1.00  0.00           C  
HETATM   11  C8  UNL     1       2.115  -2.031  -0.311  1.00  0.00           C  
HETATM   12  C9  UNL     1       3.236  -2.633   0.190  1.00  0.00           C  
HETATM   13  C10 UNL     1       4.312  -1.862   0.632  1.00  0.00           C  
HETATM   14  C11 UNL     1       4.262  -0.491   0.572  1.00  0.00           C  
HETATM   15  N2  UNL     1       5.127   0.482   0.920  1.00  0.00           N  
HETATM   16  C12 UNL     1       4.628   1.703   0.673  1.00  0.00           C  
HETATM   17  C13 UNL     1       3.376   1.487   0.136  1.00  0.00           C  
HETATM   18  C14 UNL     1       3.137   0.132   0.070  1.00  0.00           C  
HETATM   19  H1  UNL     1      -4.236  -0.825   1.936  1.00  0.00           H  
HETATM   20  H2  UNL     1      -3.174  -1.587   0.685  1.00  0.00           H  
HETATM   21  H3  UNL     1      -4.897  -1.251   0.288  1.00  0.00           H  
HETATM   22  H4  UNL     1      -3.903   0.508  -0.779  1.00  0.00           H  
HETATM   23  H5  UNL     1      -4.044   2.507   0.678  1.00  0.00           H  
HETATM   24  H6  UNL     1      -5.450   1.449   0.589  1.00  0.00           H  
HETATM   25  H7  UNL     1      -4.413   1.324   2.062  1.00  0.00           H  
HETATM   26  H8  UNL     1      -1.950   0.970   1.431  1.00  0.00           H  
HETATM   27  H9  UNL     1      -0.382   1.416  -0.076  1.00  0.00           H  
HETATM   28  H10 UNL     1      -1.718   2.315  -0.785  1.00  0.00           H  
HETATM   29  H11 UNL     1      -0.648   1.091  -2.481  1.00  0.00           H  
HETATM   30  H12 UNL     1      -2.135  -0.826  -2.848  1.00  0.00           H  
HETATM   31  H13 UNL     1       0.067  -1.311  -2.238  1.00  0.00           H  
HETATM   32  H14 UNL     1      -0.625  -1.315  -0.584  1.00  0.00           H  
HETATM   33  H15 UNL     1       1.239  -2.545  -0.662  1.00  0.00           H  
HETATM   34  H16 UNL     1       3.286  -3.718   0.247  1.00  0.00           H  
HETATM   35  H17 UNL     1       5.194  -2.342   1.023  1.00  0.00           H  
HETATM   36  H18 UNL     1       6.081   0.328   1.335  1.00  0.00           H  
HETATM   37  H19 UNL     1       5.154   2.655   0.867  1.00  0.00           H  
HETATM   38  H20 UNL     1       2.666   2.226  -0.197  1.00  0.00           H  
CONECT    1    2   19   20   21
CONECT    2    3    4   22
CONECT    3   23   24   25
CONECT    4    5   26
CONECT    5    6   27   28
CONECT    6    7    8   29
CONECT    7   30
CONECT    8    9   31   32
CONECT    9   10
CONECT   10   11   11   18
CONECT   11   12   33
CONECT   12   13   13   34
CONECT   13   14   35
CONECT   14   15   18   18
CONECT   15   16   36
CONECT   16   17   17   37
CONECT   17   18   38
END