COMPND    HMDB0060964
HETATM    1  O1  UNL     1      -3.673   2.524   0.176  1.00  0.00           O  
HETATM    2  C1  UNL     1      -3.055   1.414   0.066  1.00  0.00           C  
HETATM    3  C2  UNL     1      -3.535   0.299  -0.755  1.00  0.00           C  
HETATM    4  N1  UNL     1      -2.440  -0.678  -0.650  1.00  0.00           N  
HETATM    5  C3  UNL     1      -1.489  -0.160   0.268  1.00  0.00           C  
HETATM    6  N2  UNL     1      -0.318  -0.916   0.647  1.00  0.00           N  
HETATM    7  C4  UNL     1       0.968  -0.591   0.158  1.00  0.00           C  
HETATM    8  C5  UNL     1       2.030  -1.365   0.571  1.00  0.00           C  
HETATM    9 CL1  UNL     1       1.822  -2.716   1.668  1.00  0.00          CL  
HETATM   10  C6  UNL     1       3.309  -1.080   0.114  1.00  0.00           C  
HETATM   11  C7  UNL     1       3.459  -0.022  -0.742  1.00  0.00           C  
HETATM   12  C8  UNL     1       2.381   0.781  -1.175  1.00  0.00           C  
HETATM   13  N3  UNL     1       2.488   1.817  -2.007  1.00  0.00           N  
HETATM   14  S1  UNL     1       0.923   2.386  -2.168  1.00  0.00           S  
HETATM   15  N4  UNL     1       0.153   1.284  -1.163  1.00  0.00           N  
HETATM   16  C9  UNL     1       1.134   0.493  -0.722  1.00  0.00           C  
HETATM   17  N5  UNL     1      -1.845   1.013   0.662  1.00  0.00           N  
HETATM   18  H1  UNL     1      -4.427  -0.223  -0.323  1.00  0.00           H  
HETATM   19  H2  UNL     1      -3.643   0.530  -1.820  1.00  0.00           H  
HETATM   20  H3  UNL     1      -2.442  -1.560  -1.187  1.00  0.00           H  
HETATM   21  H4  UNL     1      -0.416  -1.722   1.297  1.00  0.00           H  
HETATM   22  H5  UNL     1       4.148  -1.683   0.434  1.00  0.00           H  
HETATM   23  H6  UNL     1       4.467   0.175  -1.080  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   17
CONECT    3    4   18   19
CONECT    4    5   20
CONECT    5    6   17   17
CONECT    6    7   21
CONECT    7    8    8   16
CONECT    8    9   10
CONECT   10   11   11   22
CONECT   11   12   23
CONECT   12   13   13   16
CONECT   13   14
CONECT   14   15
CONECT   15   16   16
END