COMPND    HMDB0252995
HETATM    1  O1  UNL     1      -0.130   0.921  -1.906  1.00  0.00           O  
HETATM    2  C1  UNL     1       0.122   0.195  -0.918  1.00  0.00           C  
HETATM    3  N1  UNL     1      -0.863  -0.257  -0.061  1.00  0.00           N  
HETATM    4  C2  UNL     1      -2.239   0.008  -0.150  1.00  0.00           C  
HETATM    5  C3  UNL     1      -2.810   0.845  -1.089  1.00  0.00           C  
HETATM    6  C4  UNL     1      -4.193   1.029  -1.085  1.00  0.00           C  
HETATM    7  C5  UNL     1      -5.014   0.411  -0.183  1.00  0.00           C  
HETATM    8  C6  UNL     1      -4.455  -0.419   0.750  1.00  0.00           C  
HETATM    9  C7  UNL     1      -3.103  -0.619   0.770  1.00  0.00           C  
HETATM   10  C8  UNL     1       1.561  -0.154  -0.718  1.00  0.00           C  
HETATM   11  C9  UNL     1       2.390   0.639   0.046  1.00  0.00           C  
HETATM   12  C10 UNL     1       3.724   0.333   0.244  1.00  0.00           C  
HETATM   13  N2  UNL     1       4.541   1.181   1.040  1.00  0.00           N1+
HETATM   14  O2  UNL     1       5.728   0.971   1.256  1.00  0.00           O  
HETATM   15  O3  UNL     1       3.986   2.315   1.616  1.00  0.00           O1-
HETATM   16  C11 UNL     1       4.267  -0.795  -0.332  1.00  0.00           C  
HETATM   17  C12 UNL     1       3.438  -1.589  -1.097  1.00  0.00           C  
HETATM   18  C13 UNL     1       2.102  -1.281  -1.293  1.00  0.00           C  
HETATM   19 CL1  UNL     1       1.039  -2.280  -2.261  1.00  0.00          CL  
HETATM   20  H1  UNL     1      -0.533  -0.868   0.748  1.00  0.00           H  
HETATM   21  H2  UNL     1      -2.242   1.364  -1.822  1.00  0.00           H  
HETATM   22  H3  UNL     1      -4.620   1.689  -1.829  1.00  0.00           H  
HETATM   23  H4  UNL     1      -6.076   0.593  -0.229  1.00  0.00           H  
HETATM   24  H5  UNL     1      -5.080  -0.923   1.478  1.00  0.00           H  
HETATM   25  H6  UNL     1      -2.640  -1.277   1.505  1.00  0.00           H  
HETATM   26  H7  UNL     1       1.949   1.534   0.500  1.00  0.00           H  
HETATM   27  H8  UNL     1       5.306  -1.072  -0.204  1.00  0.00           H  
HETATM   28  H9  UNL     1       3.843  -2.493  -1.566  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   10
CONECT    3    4   20
CONECT    4    5    5    9
CONECT    5    6   21
CONECT    6    7    7   22
CONECT    7    8   23
CONECT    8    9    9   24
CONECT    9   25
CONECT   10   11   11   18
CONECT   11   12   26
CONECT   12   13   16   16
CONECT   13   14   14   15
CONECT   16   17   27
CONECT   17   18   18   28
CONECT   18   19
END