COMPND    HMDB0247906
HETATM    1  C1  UNL     1       3.077  -0.427  -1.314  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.237   0.016  -0.174  1.00  0.00           C  
HETATM    3  N1  UNL     1       2.820   0.576   0.825  1.00  0.00           N  
HETATM    4  C3  UNL     1       4.198   0.759   0.835  1.00  0.00           C  
HETATM    5  N2  UNL     1       5.350   0.905   0.826  1.00  0.00           N  
HETATM    6  N3  UNL     1       0.820  -0.173  -0.188  1.00  0.00           N  
HETATM    7  C4  UNL     1       0.279  -1.197  -1.071  1.00  0.00           C  
HETATM    8  C5  UNL     1       0.030   0.656   0.667  1.00  0.00           C  
HETATM    9  C6  UNL     1      -1.410   0.397   0.591  1.00  0.00           C  
HETATM   10  C7  UNL     1      -2.189   1.076  -0.312  1.00  0.00           C  
HETATM   11  C8  UNL     1      -3.545   0.828  -0.379  1.00  0.00           C  
HETATM   12  C9  UNL     1      -4.114  -0.102   0.463  1.00  0.00           C  
HETATM   13 CL1  UNL     1      -5.841  -0.379   0.337  1.00  0.00          CL  
HETATM   14  N4  UNL     1      -3.342  -0.757   1.339  1.00  0.00           N  
HETATM   15  C10 UNL     1      -2.011  -0.523   1.415  1.00  0.00           C  
HETATM   16  H1  UNL     1       2.553  -0.264  -2.274  1.00  0.00           H  
HETATM   17  H2  UNL     1       3.307  -1.510  -1.260  1.00  0.00           H  
HETATM   18  H3  UNL     1       4.028   0.135  -1.362  1.00  0.00           H  
HETATM   19  H4  UNL     1       0.651  -0.995  -2.105  1.00  0.00           H  
HETATM   20  H5  UNL     1      -0.810  -1.197  -1.099  1.00  0.00           H  
HETATM   21  H6  UNL     1       0.696  -2.185  -0.734  1.00  0.00           H  
HETATM   22  H7  UNL     1       0.285   1.731   0.435  1.00  0.00           H  
HETATM   23  H8  UNL     1       0.321   0.547   1.753  1.00  0.00           H  
HETATM   24  H9  UNL     1      -1.742   1.818  -0.986  1.00  0.00           H  
HETATM   25  H10 UNL     1      -4.187   1.363  -1.098  1.00  0.00           H  
HETATM   26  H11 UNL     1      -1.461  -1.099   2.155  1.00  0.00           H  
CONECT    1    2   16   17   18
CONECT    2    3    3    6
CONECT    3    4
CONECT    4    5    5    5
CONECT    6    7    8
CONECT    7   19   20   21
CONECT    8    9   22   23
CONECT    9   10   10   15
CONECT   10   11   24
CONECT   11   12   12   25
CONECT   12   13   14
CONECT   14   15   15
CONECT   15   26
END