COMPND    HMDB0015398
HETATM    1  C1  UNL     1       4.401  -0.297   0.962  1.00  0.00           C  
HETATM    2  C2  UNL     1       4.543  -0.138  -0.399  1.00  0.00           C  
HETATM    3  N1  UNL     1       3.489  -0.083  -1.230  1.00  0.00           N  
HETATM    4  C3  UNL     1       2.238  -0.186  -0.725  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.160  -0.130  -1.569  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.122  -0.235  -1.059  1.00  0.00           C  
HETATM    7  C6  UNL     1      -0.299  -0.395   0.294  1.00  0.00           C  
HETATM    8  C7  UNL     1       0.802  -0.448   1.128  1.00  0.00           C  
HETATM    9  C8  UNL     1       2.084  -0.345   0.633  1.00  0.00           C  
HETATM   10  N2  UNL     1       3.164  -0.399   1.470  1.00  0.00           N  
HETATM   11  C9  UNL     1      -1.773  -0.502   0.607  1.00  0.00           C  
HETATM   12  C10 UNL     1      -2.424   0.823   0.796  1.00  0.00           C  
HETATM   13  N3  UNL     1      -2.920   1.348  -0.433  1.00  0.00           N  
HETATM   14  C11 UNL     1      -1.986   1.216  -1.532  1.00  0.00           C  
HETATM   15  C12 UNL     1      -1.473  -0.200  -1.666  1.00  0.00           C  
HETATM   16  C13 UNL     1      -2.276  -1.062  -0.734  1.00  0.00           C  
HETATM   17  H1  UNL     1       5.291  -0.337   1.607  1.00  0.00           H  
HETATM   18  H2  UNL     1       5.573  -0.058  -0.772  1.00  0.00           H  
HETATM   19  H3  UNL     1       1.243  -0.006  -2.647  1.00  0.00           H  
HETATM   20  H4  UNL     1       0.651  -0.574   2.197  1.00  0.00           H  
HETATM   21  H5  UNL     1      -1.910  -1.214   1.425  1.00  0.00           H  
HETATM   22  H6  UNL     1      -3.300   0.662   1.488  1.00  0.00           H  
HETATM   23  H7  UNL     1      -1.779   1.555   1.337  1.00  0.00           H  
HETATM   24  H8  UNL     1      -3.886   1.100  -0.672  1.00  0.00           H  
HETATM   25  H9  UNL     1      -1.161   1.936  -1.347  1.00  0.00           H  
HETATM   26  H10 UNL     1      -2.513   1.569  -2.442  1.00  0.00           H  
HETATM   27  H11 UNL     1      -1.483  -0.558  -2.709  1.00  0.00           H  
HETATM   28  H12 UNL     1      -3.369  -0.922  -0.835  1.00  0.00           H  
HETATM   29  H13 UNL     1      -1.967  -2.121  -0.750  1.00  0.00           H  
CONECT    1    2    2   10   17
CONECT    2    3   18
CONECT    3    4    4
CONECT    4    5    9
CONECT    5    6    6   19
CONECT    6    7   15
CONECT    7    8    8   11
CONECT    8    9   20
CONECT    9   10   10
CONECT   11   12   16   21
CONECT   12   13   22   23
CONECT   13   14   24
CONECT   14   15   25   26
CONECT   15   16   27
CONECT   16   28   29
END