COMPND    HMDB0000235
HETATM    1  C1  UNL     1       5.191  -1.432  -0.064  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.966  -0.575   0.080  1.00  0.00           C  
HETATM    3  N1  UNL     1       3.804   0.534  -0.661  1.00  0.00           N  
HETATM    4  C3  UNL     1       2.730   1.324  -0.565  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.680   1.029   0.342  1.00  0.00           C  
HETATM    6  C5  UNL     1       0.514   1.922   0.359  1.00  0.00           C  
HETATM    7  N2  UNL     1      -0.565   1.394  -0.536  1.00  0.00           N1+
HETATM    8  C6  UNL     1      -0.399   1.592  -1.873  1.00  0.00           C  
HETATM    9  S1  UNL     1      -1.729   0.840  -2.579  1.00  0.00           S  
HETATM   10  C7  UNL     1      -2.483   0.280  -1.152  1.00  0.00           C  
HETATM   11  C8  UNL     1      -3.761  -0.523  -1.044  1.00  0.00           C  
HETATM   12  C9  UNL     1      -3.566  -1.980  -0.917  1.00  0.00           C  
HETATM   13  O1  UNL     1      -2.855  -2.380   0.170  1.00  0.00           O  
HETATM   14  C10 UNL     1      -1.634   0.723  -0.166  1.00  0.00           C  
HETATM   15  C11 UNL     1      -2.032   0.488   1.300  1.00  0.00           C  
HETATM   16  C12 UNL     1       1.871  -0.097   1.079  1.00  0.00           C  
HETATM   17  N3  UNL     1       0.897  -0.466   2.056  1.00  0.00           N  
HETATM   18  N4  UNL     1       2.993  -0.877   0.944  1.00  0.00           N  
HETATM   19  H1  UNL     1       5.473  -1.909   0.878  1.00  0.00           H  
HETATM   20  H2  UNL     1       6.023  -0.789  -0.379  1.00  0.00           H  
HETATM   21  H3  UNL     1       5.051  -2.199  -0.849  1.00  0.00           H  
HETATM   22  H4  UNL     1       2.596   2.217  -1.159  1.00  0.00           H  
HETATM   23  H5  UNL     1       0.804   2.947  -0.020  1.00  0.00           H  
HETATM   24  H6  UNL     1       0.110   2.127   1.367  1.00  0.00           H  
HETATM   25  H7  UNL     1       0.446   2.138  -2.350  1.00  0.00           H  
HETATM   26  H8  UNL     1      -4.307  -0.086  -0.182  1.00  0.00           H  
HETATM   27  H9  UNL     1      -4.393  -0.302  -1.938  1.00  0.00           H  
HETATM   28  H10 UNL     1      -3.068  -2.364  -1.839  1.00  0.00           H  
HETATM   29  H11 UNL     1      -4.589  -2.450  -0.951  1.00  0.00           H  
HETATM   30  H12 UNL     1      -3.375  -2.811   0.873  1.00  0.00           H  
HETATM   31  H13 UNL     1      -1.578   1.226   1.959  1.00  0.00           H  
HETATM   32  H14 UNL     1      -3.136   0.565   1.386  1.00  0.00           H  
HETATM   33  H15 UNL     1      -1.762  -0.508   1.648  1.00  0.00           H  
HETATM   34  H16 UNL     1       0.451  -1.402   1.922  1.00  0.00           H  
HETATM   35  H17 UNL     1       0.634   0.146   2.860  1.00  0.00           H  
CONECT    1    2   19   20   21
CONECT    2    3    3   18
CONECT    3    4
CONECT    4    5    5   22
CONECT    5    6   16
CONECT    6    7   23   24
CONECT    7    8    8   14
CONECT    8    9   25
CONECT    9   10
CONECT   10   11   14   14
CONECT   11   12   26   27
CONECT   12   13   28   29
CONECT   13   30
CONECT   14   15
CONECT   15   31   32   33
CONECT   16   17   18   18
CONECT   17   34   35
END