COMPND    HMDB0041934
HETATM    1  N1  UNL     1       4.729   1.046  -0.184  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.397  -0.276   0.183  1.00  0.00           C  
HETATM    3  O1  UNL     1       5.346  -0.998   0.587  1.00  0.00           O  
HETATM    4  C2  UNL     1       3.037  -0.801   0.108  1.00  0.00           C  
HETATM    5  N2  UNL     1       2.690  -2.052   0.449  1.00  0.00           N  
HETATM    6  C3  UNL     1       1.371  -2.146   0.242  1.00  0.00           C  
HETATM    7  N3  UNL     1       0.879  -0.983  -0.222  1.00  0.00           N  
HETATM    8  C4  UNL     1      -0.520  -0.803  -0.532  1.00  0.00           C  
HETATM    9  O2  UNL     1      -0.792   0.493  -0.971  1.00  0.00           O  
HETATM   10  C5  UNL     1      -2.157   0.617  -0.940  1.00  0.00           C  
HETATM   11  C6  UNL     1      -2.622   2.019  -0.614  1.00  0.00           C  
HETATM   12  O3  UNL     1      -2.186   2.955  -1.523  1.00  0.00           O  
HETATM   13  C7  UNL     1      -2.682  -0.290   0.149  1.00  0.00           C  
HETATM   14  O4  UNL     1      -3.322  -1.364  -0.465  1.00  0.00           O  
HETATM   15  C8  UNL     1      -1.384  -0.844   0.731  1.00  0.00           C  
HETATM   16  O5  UNL     1      -1.539  -2.134   1.196  1.00  0.00           O  
HETATM   17  C9  UNL     1       1.901  -0.143  -0.309  1.00  0.00           C  
HETATM   18  O6  UNL     1       1.835   1.160  -0.742  1.00  0.00           O  
HETATM   19  H1  UNL     1       4.576   1.810   0.491  1.00  0.00           H  
HETATM   20  H2  UNL     1       5.120   1.232  -1.120  1.00  0.00           H  
HETATM   21  H3  UNL     1       0.794  -3.064   0.435  1.00  0.00           H  
HETATM   22  H4  UNL     1      -0.854  -1.530  -1.281  1.00  0.00           H  
HETATM   23  H5  UNL     1      -2.560   0.331  -1.932  1.00  0.00           H  
HETATM   24  H6  UNL     1      -3.726   2.015  -0.609  1.00  0.00           H  
HETATM   25  H7  UNL     1      -2.306   2.329   0.403  1.00  0.00           H  
HETATM   26  H8  UNL     1      -2.347   3.854  -1.114  1.00  0.00           H  
HETATM   27  H9  UNL     1      -3.297   0.216   0.890  1.00  0.00           H  
HETATM   28  H10 UNL     1      -2.910  -2.240  -0.240  1.00  0.00           H  
HETATM   29  H11 UNL     1      -0.951  -0.164   1.471  1.00  0.00           H  
HETATM   30  H12 UNL     1      -2.289  -2.132   1.843  1.00  0.00           H  
HETATM   31  H13 UNL     1       1.773   1.890  -0.030  1.00  0.00           H  
CONECT    1    2   19   20
CONECT    2    3    3    4
CONECT    4    5   17   17
CONECT    5    6    6
CONECT    6    7   21
CONECT    7    8   17
CONECT    8    9   15   22
CONECT    9   10
CONECT   10   11   13   23
CONECT   11   12   24   25
CONECT   12   26
CONECT   13   14   15   27
CONECT   14   28
CONECT   15   16   29
CONECT   16   30
CONECT   17   18
CONECT   18   31
END