COMPND    HMDB0013913
HETATM    1  C1  UNL     1       3.700  -1.883   0.142  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.978  -0.617  -0.119  1.00  0.00           C  
HETATM    3  C3  UNL     1       3.550   0.516  -0.629  1.00  0.00           C  
HETATM    4  C4  UNL     1       2.792   1.651  -0.837  1.00  0.00           C  
HETATM    5  N1  UNL     1       1.487   1.647  -0.539  1.00  0.00           N  
HETATM    6  C5  UNL     1       0.881   0.591  -0.046  1.00  0.00           C  
HETATM    7  C6  UNL     1       1.622  -0.555   0.169  1.00  0.00           C  
HETATM    8  N2  UNL     1       1.148  -1.783   0.681  1.00  0.00           N  
HETATM    9  C7  UNL     1      -0.195  -2.294   0.564  1.00  0.00           C  
HETATM   10  O1  UNL     1      -0.311  -3.531   0.736  1.00  0.00           O  
HETATM   11  C8  UNL     1      -1.397  -1.536   0.273  1.00  0.00           C  
HETATM   12  C9  UNL     1      -2.520  -2.333   0.166  1.00  0.00           C  
HETATM   13  C10 UNL     1      -3.714  -1.740  -0.101  1.00  0.00           C  
HETATM   14  O2  UNL     1      -4.844  -2.541  -0.208  1.00  0.00           O  
HETATM   15  C11 UNL     1      -3.821  -0.378  -0.265  1.00  0.00           C  
HETATM   16  N3  UNL     1      -2.707   0.367  -0.155  1.00  0.00           N  
HETATM   17  C12 UNL     1      -1.503  -0.163   0.107  1.00  0.00           C  
HETATM   18  N4  UNL     1      -0.494   0.881   0.169  1.00  0.00           N  
HETATM   19  C13 UNL     1      -0.931   2.195   0.444  1.00  0.00           C  
HETATM   20  C14 UNL     1      -0.140   3.409   0.663  1.00  0.00           C  
HETATM   21  C15 UNL     1      -1.003   3.282  -0.550  1.00  0.00           C  
HETATM   22  H1  UNL     1       3.214  -2.756  -0.353  1.00  0.00           H  
HETATM   23  H2  UNL     1       4.701  -1.782  -0.343  1.00  0.00           H  
HETATM   24  H3  UNL     1       3.869  -2.057   1.230  1.00  0.00           H  
HETATM   25  H4  UNL     1       4.623   0.491  -0.865  1.00  0.00           H  
HETATM   26  H5  UNL     1       3.291   2.539  -1.249  1.00  0.00           H  
HETATM   27  H6  UNL     1       1.849  -2.364   1.189  1.00  0.00           H  
HETATM   28  H7  UNL     1      -2.409  -3.416   0.302  1.00  0.00           H  
HETATM   29  H8  UNL     1      -5.064  -2.903  -1.146  1.00  0.00           H  
HETATM   30  H9  UNL     1      -4.797   0.088  -0.482  1.00  0.00           H  
HETATM   31  H10 UNL     1      -1.851   2.162   1.122  1.00  0.00           H  
HETATM   32  H11 UNL     1       0.942   3.516   0.595  1.00  0.00           H  
HETATM   33  H12 UNL     1      -0.495   4.152   1.463  1.00  0.00           H  
HETATM   34  H13 UNL     1      -0.557   3.196  -1.560  1.00  0.00           H  
HETATM   35  H14 UNL     1      -1.891   3.947  -0.569  1.00  0.00           H  
CONECT    1    2   22   23   24
CONECT    2    3    3    7
CONECT    3    4   25
CONECT    4    5    5   26
CONECT    5    6
CONECT    6    7    7   18
CONECT    7    8
CONECT    8    9   27
CONECT    9   10   10   11
CONECT   11   12   12   17
CONECT   12   13   28
CONECT   13   14   15   15
CONECT   14   29
CONECT   15   16   30
CONECT   16   17   17
CONECT   17   18
CONECT   18   19
CONECT   19   20   21   31
CONECT   20   21   32   33
CONECT   21   34   35
END