COMPND    HMDB0252436
HETATM    1  O1  UNL     1      -0.722  -2.108   0.247  1.00  0.00           O  
HETATM    2  C1  UNL     1       0.082  -1.008   0.544  1.00  0.00           C  
HETATM    3  N1  UNL     1      -0.448   0.157   0.427  1.00  0.00           N  
HETATM    4  C2  UNL     1      -1.788   0.343   0.018  1.00  0.00           C  
HETATM    5  C3  UNL     1      -2.389  -0.348  -1.004  1.00  0.00           C  
HETATM    6  C4  UNL     1      -3.705  -0.122  -1.360  1.00  0.00           C  
HETATM    7  C5  UNL     1      -4.472   0.819  -0.692  1.00  0.00           C  
HETATM    8  C6  UNL     1      -3.883   1.525   0.340  1.00  0.00           C  
HETATM    9  C7  UNL     1      -2.581   1.285   0.674  1.00  0.00           C  
HETATM   10  N2  UNL     1       1.423  -1.190   0.953  1.00  0.00           N  
HETATM   11  C8  UNL     1       2.507  -0.509   0.350  1.00  0.00           C  
HETATM   12  C9  UNL     1       3.785  -0.740   0.804  1.00  0.00           C  
HETATM   13  C10 UNL     1       4.834  -0.078   0.218  1.00  0.00           C  
HETATM   14  N3  UNL     1       4.629   0.796  -0.798  1.00  0.00           N  
HETATM   15  C11 UNL     1       3.398   1.035  -1.255  1.00  0.00           C  
HETATM   16 CL1  UNL     1       3.177   2.184  -2.583  1.00  0.00          CL  
HETATM   17  C12 UNL     1       2.328   0.388  -0.687  1.00  0.00           C  
HETATM   18  H1  UNL     1      -0.813  -2.853   0.910  1.00  0.00           H  
HETATM   19  H2  UNL     1      -1.821  -1.089  -1.546  1.00  0.00           H  
HETATM   20  H3  UNL     1      -4.189  -0.661  -2.164  1.00  0.00           H  
HETATM   21  H4  UNL     1      -5.498   1.004  -0.960  1.00  0.00           H  
HETATM   22  H5  UNL     1      -4.492   2.261   0.857  1.00  0.00           H  
HETATM   23  H6  UNL     1      -2.129   1.850   1.491  1.00  0.00           H  
HETATM   24  H7  UNL     1       1.626  -1.850   1.728  1.00  0.00           H  
HETATM   25  H8  UNL     1       3.957  -1.430   1.608  1.00  0.00           H  
HETATM   26  H9  UNL     1       5.840  -0.260   0.576  1.00  0.00           H  
HETATM   27  H10 UNL     1       1.344   0.599  -1.076  1.00  0.00           H  
CONECT    1    2   18
CONECT    2    3    3   10
CONECT    3    4
CONECT    4    5    5    9
CONECT    5    6   19
CONECT    6    7    7   20
CONECT    7    8   21
CONECT    8    9    9   22
CONECT    9   23
CONECT   10   11   24
CONECT   11   12   12   17
CONECT   12   13   25
CONECT   13   14   14   26
CONECT   14   15
CONECT   15   16   17   17
CONECT   17   27
END