COMPND    HMDB0246929
HETATM    1  N1  UNL     1      -2.943  -1.589   0.085  1.00  0.00           N  
HETATM    2  C1  UNL     1      -3.873  -0.666   0.600  1.00  0.00           C  
HETATM    3  C2  UNL     1      -3.585   0.736   0.172  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.286   1.304   0.567  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.079   0.670  -0.007  1.00  0.00           C  
HETATM    6  O1  UNL     1      -1.237  -0.120  -0.954  1.00  0.00           O  
HETATM    7  N2  UNL     1       0.209   0.947   0.498  1.00  0.00           N  
HETATM    8  C5  UNL     1       1.435   0.398   0.039  1.00  0.00           C  
HETATM    9  C6  UNL     1       1.560  -0.647  -0.839  1.00  0.00           C  
HETATM   10  C7  UNL     1       2.785  -1.108  -1.245  1.00  0.00           C  
HETATM   11  C8  UNL     1       3.993  -0.544  -0.791  1.00  0.00           C  
HETATM   12  N3  UNL     1       5.200  -1.094  -1.270  1.00  0.00           N1+
HETATM   13  O2  UNL     1       6.242  -0.518  -1.536  1.00  0.00           O  
HETATM   14  O3  UNL     1       5.194  -2.472  -1.514  1.00  0.00           O1-
HETATM   15  C9  UNL     1       3.863   0.496   0.085  1.00  0.00           C  
HETATM   16  C10 UNL     1       5.064   1.120   0.651  1.00  0.00           C  
HETATM   17  O4  UNL     1       6.234   0.812   0.459  1.00  0.00           O  
HETATM   18  O5  UNL     1       4.877   2.217   1.531  1.00  0.00           O  
HETATM   19  C11 UNL     1       2.619   0.954   0.487  1.00  0.00           C  
HETATM   20  C12 UNL     1      -5.289  -0.994   0.227  1.00  0.00           C  
HETATM   21  O6  UNL     1      -6.178  -0.217   0.660  1.00  0.00           O  
HETATM   22  O7  UNL     1      -5.580  -2.101  -0.557  1.00  0.00           O  
HETATM   23  H1  UNL     1      -2.453  -2.196   0.774  1.00  0.00           H  
HETATM   24  H2  UNL     1      -3.228  -2.082  -0.787  1.00  0.00           H  
HETATM   25  H3  UNL     1      -3.850  -0.712   1.718  1.00  0.00           H  
HETATM   26  H4  UNL     1      -4.411   1.391   0.564  1.00  0.00           H  
HETATM   27  H5  UNL     1      -3.642   0.789  -0.950  1.00  0.00           H  
HETATM   28  H6  UNL     1      -2.254   2.395   0.250  1.00  0.00           H  
HETATM   29  H7  UNL     1      -2.188   1.371   1.695  1.00  0.00           H  
HETATM   30  H8  UNL     1       0.232   1.645   1.315  1.00  0.00           H  
HETATM   31  H9  UNL     1       0.666  -1.131  -1.220  1.00  0.00           H  
HETATM   32  H10 UNL     1       2.867  -1.941  -1.944  1.00  0.00           H  
HETATM   33  H11 UNL     1       4.530   3.095   1.171  1.00  0.00           H  
HETATM   34  H12 UNL     1       2.562   1.781   1.179  1.00  0.00           H  
HETATM   35  H13 UNL     1      -6.055  -1.986  -1.457  1.00  0.00           H  
CONECT    1    2   23   24
CONECT    2    3   20   25
CONECT    3    4   26   27
CONECT    4    5   28   29
CONECT    5    6    6    7
CONECT    7    8   30
CONECT    8    9    9   19
CONECT    9   10   31
CONECT   10   11   11   32
CONECT   11   12   15
CONECT   12   13   13   14
CONECT   15   16   19   19
CONECT   16   17   17   18
CONECT   18   33
CONECT   19   34
CONECT   20   21   21   22
CONECT   22   35
END