COMPND    HMDB0242582
HETATM    1 CL1  UNL     1       5.631   1.218   0.385  1.00  0.00          CL  
HETATM    2  C1  UNL     1       3.954   0.692   0.205  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.935   1.602   0.029  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.649   1.190  -0.108  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.317  -0.147  -0.077  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.021  -0.681  -0.215  1.00  0.00           C  
HETATM    7  C6  UNL     1      -0.773  -0.296  -1.443  1.00  0.00           C  
HETATM    8  C7  UNL     1      -1.991   0.401  -0.892  1.00  0.00           C  
HETATM    9  C8  UNL     1      -2.908  -0.564  -0.163  1.00  0.00           C  
HETATM   10  C9  UNL     1      -2.071  -0.978   1.056  1.00  0.00           C  
HETATM   11  C10 UNL     1      -0.871  -0.114   0.927  1.00  0.00           C  
HETATM   12  N1  UNL     1      -1.398   1.092   0.269  1.00  0.00           N  
HETATM   13  C11 UNL     1       2.366  -1.029   0.101  1.00  0.00           C  
HETATM   14  N2  UNL     1       3.639  -0.618   0.237  1.00  0.00           N  
HETATM   15  H1  UNL     1       3.188   2.670   0.003  1.00  0.00           H  
HETATM   16  H2  UNL     1       0.839   1.886  -0.246  1.00  0.00           H  
HETATM   17  H3  UNL     1      -0.011  -1.786  -0.154  1.00  0.00           H  
HETATM   18  H4  UNL     1      -1.050  -1.174  -2.076  1.00  0.00           H  
HETATM   19  H5  UNL     1      -0.252   0.416  -2.100  1.00  0.00           H  
HETATM   20  H6  UNL     1      -2.491   1.068  -1.573  1.00  0.00           H  
HETATM   21  H7  UNL     1      -3.190  -1.430  -0.766  1.00  0.00           H  
HETATM   22  H8  UNL     1      -3.746   0.027   0.230  1.00  0.00           H  
HETATM   23  H9  UNL     1      -1.788  -2.038   0.891  1.00  0.00           H  
HETATM   24  H10 UNL     1      -2.634  -0.857   1.989  1.00  0.00           H  
HETATM   25  H11 UNL     1      -0.312   0.092   1.820  1.00  0.00           H  
HETATM   26  H12 UNL     1      -2.228   1.465   0.799  1.00  0.00           H  
HETATM   27  H13 UNL     1       2.216  -2.105   0.140  1.00  0.00           H  
CONECT    1    2
CONECT    2    3    3   14
CONECT    3    4   15
CONECT    4    5    5   16
CONECT    5    6   13
CONECT    6    7   11   17
CONECT    7    8   18   19
CONECT    8    9   12   20
CONECT    9   10   21   22
CONECT   10   11   23   24
CONECT   11   12   25
CONECT   12   26
CONECT   13   14   14   27
END