COMPND    HMDB0251912
HETATM    1  C1  UNL     1       2.509   2.386   0.160  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.145   2.129   0.387  1.00  0.00           C  
HETATM    3  C3  UNL     1       0.677   0.852   0.208  1.00  0.00           C  
HETATM    4  C4  UNL     1       1.574  -0.107  -0.186  1.00  0.00           C  
HETATM    5  C5  UNL     1       1.262  -1.421  -0.407  1.00  0.00           C  
HETATM    6  C6  UNL     1       2.468  -2.020  -0.787  1.00  0.00           C  
HETATM    7  N1  UNL     1       3.437  -1.088  -0.785  1.00  0.00           N  
HETATM    8  C7  UNL     1       2.916   0.096  -0.420  1.00  0.00           C  
HETATM    9  C8  UNL     1       3.387   1.398  -0.236  1.00  0.00           C  
HETATM   10  C9  UNL     1      -0.121  -1.853  -0.229  1.00  0.00           C  
HETATM   11  C10 UNL     1      -0.874  -0.986   0.726  1.00  0.00           C  
HETATM   12  N2  UNL     1      -2.249  -1.370   0.844  1.00  0.00           N  
HETATM   13  C11 UNL     1      -3.120  -0.245   0.985  1.00  0.00           C  
HETATM   14  C12 UNL     1      -3.084   0.655  -0.229  1.00  0.00           C  
HETATM   15  C13 UNL     1      -1.657   0.816  -0.701  1.00  0.00           C  
HETATM   16  C14 UNL     1      -0.763   0.502   0.450  1.00  0.00           C  
HETATM   17  H1  UNL     1       2.863   3.391   0.303  1.00  0.00           H  
HETATM   18  H2  UNL     1       0.463   2.897   0.694  1.00  0.00           H  
HETATM   19  H3  UNL     1       2.522  -3.069  -1.025  1.00  0.00           H  
HETATM   20  H4  UNL     1       4.425  -1.249  -1.024  1.00  0.00           H  
HETATM   21  H5  UNL     1       4.431   1.588  -0.411  1.00  0.00           H  
HETATM   22  H6  UNL     1      -0.641  -1.819  -1.231  1.00  0.00           H  
HETATM   23  H7  UNL     1      -0.169  -2.890   0.162  1.00  0.00           H  
HETATM   24  H8  UNL     1      -0.414  -1.168   1.743  1.00  0.00           H  
HETATM   25  H9  UNL     1      -2.581  -2.005   0.114  1.00  0.00           H  
HETATM   26  H10 UNL     1      -2.929   0.314   1.941  1.00  0.00           H  
HETATM   27  H11 UNL     1      -4.191  -0.612   1.078  1.00  0.00           H  
HETATM   28  H12 UNL     1      -3.420   1.668   0.135  1.00  0.00           H  
HETATM   29  H13 UNL     1      -3.761   0.278  -1.020  1.00  0.00           H  
HETATM   30  H14 UNL     1      -1.473   0.056  -1.493  1.00  0.00           H  
HETATM   31  H15 UNL     1      -1.486   1.854  -1.097  1.00  0.00           H  
HETATM   32  H16 UNL     1      -1.145   1.022   1.350  1.00  0.00           H  
CONECT    1    2    2    9   17
CONECT    2    3   18
CONECT    3    4    4   16
CONECT    4    5    8
CONECT    5    6    6   10
CONECT    6    7   19
CONECT    7    8   20
CONECT    8    9    9
CONECT    9   21
CONECT   10   11   22   23
CONECT   11   12   16   24
CONECT   12   13   25
CONECT   13   14   26   27
CONECT   14   15   28   29
CONECT   15   16   30   31
CONECT   16   32
END