COMPND    HMDB0015454
HETATM    1  C1  UNL     1       4.511   0.637  -0.376  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.601  -0.108  -0.122  1.00  0.00           C  
HETATM    3  C3  UNL     1       2.485  -1.038   0.197  1.00  0.00           C  
HETATM    4  N1  UNL     1       1.349  -0.261   0.467  1.00  0.00           N  
HETATM    5  C4  UNL     1       0.141  -0.934   0.808  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.265  -1.772  -0.393  1.00  0.00           C  
HETATM    7  C6  UNL     1      -0.500  -0.633  -1.402  1.00  0.00           C  
HETATM    8  C7  UNL     1      -1.323   0.273  -0.525  1.00  0.00           C  
HETATM    9  C8  UNL     1      -2.322   1.182  -0.784  1.00  0.00           C  
HETATM   10  C9  UNL     1      -2.938   1.899   0.210  1.00  0.00           C  
HETATM   11  C10 UNL     1      -2.550   1.712   1.527  1.00  0.00           C  
HETATM   12  C11 UNL     1      -1.555   0.810   1.797  1.00  0.00           C  
HETATM   13  C12 UNL     1      -0.944   0.096   0.800  1.00  0.00           C  
HETATM   14  H1  UNL     1       5.299   1.291  -0.596  1.00  0.00           H  
HETATM   15  H2  UNL     1       2.853  -1.679   1.013  1.00  0.00           H  
HETATM   16  H3  UNL     1       2.370  -1.647  -0.733  1.00  0.00           H  
HETATM   17  H4  UNL     1       1.480   0.692   0.801  1.00  0.00           H  
HETATM   18  H5  UNL     1       0.167  -1.518   1.742  1.00  0.00           H  
HETATM   19  H6  UNL     1       0.509  -2.460  -0.732  1.00  0.00           H  
HETATM   20  H7  UNL     1      -1.249  -2.259  -0.195  1.00  0.00           H  
HETATM   21  H8  UNL     1       0.466  -0.134  -1.554  1.00  0.00           H  
HETATM   22  H9  UNL     1      -1.016  -0.967  -2.296  1.00  0.00           H  
HETATM   23  H10 UNL     1      -2.602   1.313  -1.841  1.00  0.00           H  
HETATM   24  H11 UNL     1      -3.709   2.592  -0.058  1.00  0.00           H  
HETATM   25  H12 UNL     1      -3.017   2.255   2.332  1.00  0.00           H  
HETATM   26  H13 UNL     1      -1.239   0.658   2.831  1.00  0.00           H  
CONECT    1    2    2    2   14
CONECT    2    3
CONECT    3    4   15   16
CONECT    4    5   17
CONECT    5    6   13   18
CONECT    6    7   19   20
CONECT    7    8   21   22
CONECT    8    9    9   13
CONECT    9   10   23
CONECT   10   11   11   24
CONECT   11   12   25
CONECT   12   13   13   26
END