COMPND    HMDB0246626
HETATM    1  C1  UNL     1      -3.452  -1.636   1.035  1.00  0.00           C  
HETATM    2  N1  UNL     1      -2.315  -1.358   0.207  1.00  0.00           N  
HETATM    3  C2  UNL     1      -1.681  -2.413  -0.549  1.00  0.00           C  
HETATM    4  O1  UNL     1      -2.076  -3.558  -0.252  1.00  0.00           O  
HETATM    5  C3  UNL     1      -0.618  -2.276  -1.633  1.00  0.00           C  
HETATM    6  N2  UNL     1       0.520  -1.513  -1.155  1.00  0.00           N  
HETATM    7  C4  UNL     1       0.600  -0.362  -0.512  1.00  0.00           C  
HETATM    8  C5  UNL     1       1.898   0.131  -0.166  1.00  0.00           C  
HETATM    9  C6  UNL     1       2.995  -0.577  -0.683  1.00  0.00           C  
HETATM   10  C7  UNL     1       4.295  -0.289  -0.352  1.00  0.00           C  
HETATM   11  C8  UNL     1       4.566   0.736   0.525  1.00  0.00           C  
HETATM   12 CL1  UNL     1       6.234   1.136   0.972  1.00  0.00          CL  
HETATM   13  C9  UNL     1       3.534   1.455   1.058  1.00  0.00           C  
HETATM   14  C10 UNL     1       2.238   1.125   0.693  1.00  0.00           C  
HETATM   15  C11 UNL     1      -0.592   0.432  -0.242  1.00  0.00           C  
HETATM   16  C12 UNL     1      -0.321   1.775  -0.365  1.00  0.00           C  
HETATM   17  C13 UNL     1      -1.344   2.658  -0.086  1.00  0.00           C  
HETATM   18 CL2  UNL     1      -1.019   4.369  -0.226  1.00  0.00          CL  
HETATM   19  C14 UNL     1      -2.602   2.221   0.301  1.00  0.00           C  
HETATM   20  C15 UNL     1      -2.876   0.875   0.419  1.00  0.00           C  
HETATM   21  C16 UNL     1      -1.856  -0.003   0.140  1.00  0.00           C  
HETATM   22  H1  UNL     1      -3.503  -2.711   1.284  1.00  0.00           H  
HETATM   23  H2  UNL     1      -3.382  -1.120   2.034  1.00  0.00           H  
HETATM   24  H3  UNL     1      -4.418  -1.406   0.538  1.00  0.00           H  
HETATM   25  H4  UNL     1      -0.258  -3.279  -1.865  1.00  0.00           H  
HETATM   26  H5  UNL     1      -1.112  -1.732  -2.449  1.00  0.00           H  
HETATM   27  H6  UNL     1       2.803  -1.384  -1.372  1.00  0.00           H  
HETATM   28  H7  UNL     1       5.135  -0.838  -0.753  1.00  0.00           H  
HETATM   29  H8  UNL     1       3.709   2.268   1.750  1.00  0.00           H  
HETATM   30  H9  UNL     1       1.436   1.687   1.201  1.00  0.00           H  
HETATM   31  H10 UNL     1       0.647   2.101  -0.719  1.00  0.00           H  
HETATM   32  H11 UNL     1      -3.353   2.950   0.505  1.00  0.00           H  
HETATM   33  H12 UNL     1      -3.832   0.538   0.717  1.00  0.00           H  
CONECT    1    2   22   23   24
CONECT    2    3   21
CONECT    3    4    4    5
CONECT    5    6   25   26
CONECT    6    7    7
CONECT    7    8   15
CONECT    8    9    9   14
CONECT    9   10   27
CONECT   10   11   11   28
CONECT   11   12   13
CONECT   13   14   14   29
CONECT   14   30
CONECT   15   16   16   21
CONECT   16   17   31
CONECT   17   18   19   19
CONECT   19   20   32
CONECT   20   21   21   33
END