COMPND    HMDB0039496
HETATM    1  C1  UNL     1       2.916   2.226  -0.227  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.432   1.332   0.799  1.00  0.00           C  
HETATM    3  C3  UNL     1       2.895   0.236   1.259  1.00  0.00           C  
HETATM    4  C4  UNL     1       1.645  -0.288   0.812  1.00  0.00           C  
HETATM    5  C5  UNL     1       1.393  -1.617   1.193  1.00  0.00           C  
HETATM    6  C6  UNL     1       0.223  -2.251   0.882  1.00  0.00           C  
HETATM    7  C7  UNL     1      -0.736  -1.579   0.180  1.00  0.00           C  
HETATM    8  O1  UNL     1      -1.930  -2.206  -0.145  1.00  0.00           O  
HETATM    9  C8  UNL     1      -2.161  -3.545   0.248  1.00  0.00           C  
HETATM   10  C9  UNL     1      -0.579  -0.252  -0.243  1.00  0.00           C  
HETATM   11  O2  UNL     1      -1.456   0.425  -0.909  1.00  0.00           O  
HETATM   12  C10 UNL     1      -2.310   1.127  -1.572  1.00  0.00           C  
HETATM   13  C11 UNL     1      -2.820   2.417  -0.923  1.00  0.00           C  
HETATM   14  C12 UNL     1       0.660   0.328   0.121  1.00  0.00           C  
HETATM   15  H1  UNL     1       3.843   2.831  -0.575  1.00  0.00           H  
HETATM   16  H2  UNL     1       2.631   1.742  -1.191  1.00  0.00           H  
HETATM   17  H3  UNL     1       2.236   2.983   0.158  1.00  0.00           H  
HETATM   18  H4  UNL     1       4.407   1.619   1.256  1.00  0.00           H  
HETATM   19  H5  UNL     1       3.475  -0.289   2.055  1.00  0.00           H  
HETATM   20  H6  UNL     1       2.131  -2.182   1.750  1.00  0.00           H  
HETATM   21  H7  UNL     1       0.021  -3.280   1.171  1.00  0.00           H  
HETATM   22  H8  UNL     1      -3.165  -3.826  -0.116  1.00  0.00           H  
HETATM   23  H9  UNL     1      -1.373  -4.164  -0.197  1.00  0.00           H  
HETATM   24  H10 UNL     1      -2.106  -3.549   1.369  1.00  0.00           H  
HETATM   25  H11 UNL     1      -3.251   0.641  -1.959  1.00  0.00           H  
HETATM   26  H12 UNL     1      -1.852   1.511  -2.550  1.00  0.00           H  
HETATM   27  H13 UNL     1      -3.348   2.223   0.012  1.00  0.00           H  
HETATM   28  H14 UNL     1      -3.545   2.853  -1.644  1.00  0.00           H  
HETATM   29  H15 UNL     1      -2.002   3.162  -0.822  1.00  0.00           H  
HETATM   30  H16 UNL     1       0.725   1.370  -0.191  1.00  0.00           H  
CONECT    1    2   15   16   17
CONECT    2    3    3   18
CONECT    3    4   19
CONECT    4    5    5   14
CONECT    5    6   20
CONECT    6    7    7   21
CONECT    7    8   10
CONECT    8    9
CONECT    9   22   23   24
CONECT   10   11   14   14
CONECT   11   12
CONECT   12   13   25   26
CONECT   13   27   28   29
CONECT   14   30
END