COMPND    HMDB0253545
HETATM    1  C1  UNL     1      -3.741   1.080   0.399  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.713   0.694  -0.627  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.382   0.319   0.065  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.409  -0.045  -0.979  1.00  0.00           C  
HETATM    5  C5  UNL     1       0.956  -0.399  -0.518  1.00  0.00           C  
HETATM    6  C6  UNL     1       1.377  -1.624  -0.096  1.00  0.00           C  
HETATM    7  I1  UNL     1       0.069  -3.263  -0.222  1.00  0.00           I  
HETATM    8  C7  UNL     1       2.681  -1.842   0.377  1.00  0.00           C  
HETATM    9  C8  UNL     1       3.597  -0.826   0.434  1.00  0.00           C  
HETATM   10  I2  UNL     1       5.530  -1.213   1.153  1.00  0.00           I  
HETATM   11  C9  UNL     1       3.195   0.428   0.009  1.00  0.00           C  
HETATM   12  N1  UNL     1       4.154   1.486   0.068  1.00  0.00           N  
HETATM   13  C10 UNL     1       1.919   0.632  -0.450  1.00  0.00           C  
HETATM   14  I3  UNL     1       1.358   2.573  -1.091  1.00  0.00           I  
HETATM   15  C11 UNL     1      -1.763  -0.697   1.058  1.00  0.00           C  
HETATM   16  O1  UNL     1      -1.211  -0.851   2.187  1.00  0.00           O  
HETATM   17  O2  UNL     1      -2.819  -1.588   0.776  1.00  0.00           O  
HETATM   18  H1  UNL     1      -3.381   0.922   1.440  1.00  0.00           H  
HETATM   19  H2  UNL     1      -3.934   2.182   0.251  1.00  0.00           H  
HETATM   20  H3  UNL     1      -4.725   0.594   0.254  1.00  0.00           H  
HETATM   21  H4  UNL     1      -2.460   1.486  -1.333  1.00  0.00           H  
HETATM   22  H5  UNL     1      -3.087  -0.178  -1.196  1.00  0.00           H  
HETATM   23  H6  UNL     1      -1.052   1.217   0.671  1.00  0.00           H  
HETATM   24  H7  UNL     1      -0.858  -0.872  -1.590  1.00  0.00           H  
HETATM   25  H8  UNL     1      -0.323   0.796  -1.730  1.00  0.00           H  
HETATM   26  H9  UNL     1       2.971  -2.832   0.705  1.00  0.00           H  
HETATM   27  H10 UNL     1       4.744   1.745  -0.739  1.00  0.00           H  
HETATM   28  H11 UNL     1       4.250   2.005   0.957  1.00  0.00           H  
HETATM   29  H12 UNL     1      -2.940  -1.929  -0.168  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3   21   22
CONECT    3    4   15   23
CONECT    4    5   24   25
CONECT    5    6    6   13
CONECT    6    7    8
CONECT    8    9    9   26
CONECT    9   10   11
CONECT   11   12   13   13
CONECT   12   27   28
CONECT   13   14
CONECT   15   16   16   17
CONECT   17   29
END