COMPND    HMDB0245307
HETATM    1  C1  UNL     1       3.698   1.410   0.495  1.00  0.00           C  
HETATM    2  C2  UNL     1       4.074   0.196  -0.304  1.00  0.00           C  
HETATM    3  C3  UNL     1       3.470  -1.083   0.277  1.00  0.00           C  
HETATM    4  C4  UNL     1       1.981  -0.863   0.234  1.00  0.00           C  
HETATM    5  N1  UNL     1       1.002  -1.648   0.612  1.00  0.00           N  
HETATM    6  C5  UNL     1      -0.232  -1.277   0.493  1.00  0.00           C  
HETATM    7  C6  UNL     1      -1.381  -2.005   0.852  1.00  0.00           C  
HETATM    8  N2  UNL     1      -1.283  -3.196   1.369  1.00  0.00           N  
HETATM    9  N3  UNL     1      -2.590  -1.504   0.675  1.00  0.00           N  
HETATM   10  C7  UNL     1      -2.876  -0.292   0.155  1.00  0.00           C  
HETATM   11  C8  UNL     1      -4.147   0.195  -0.013  1.00  0.00           C  
HETATM   12  C9  UNL     1      -4.283   1.443  -0.554  1.00  0.00           C  
HETATM   13  C10 UNL     1      -3.179   2.214  -0.930  1.00  0.00           C  
HETATM   14  C11 UNL     1      -1.922   1.709  -0.753  1.00  0.00           C  
HETATM   15  C12 UNL     1      -1.759   0.457  -0.212  1.00  0.00           C  
HETATM   16  C13 UNL     1      -0.475  -0.036  -0.041  1.00  0.00           C  
HETATM   17  S1  UNL     1       1.117   0.517  -0.339  1.00  0.00           S  
HETATM   18  H1  UNL     1       4.618   1.951   0.813  1.00  0.00           H  
HETATM   19  H2  UNL     1       3.080   1.123   1.370  1.00  0.00           H  
HETATM   20  H3  UNL     1       3.099   2.145  -0.088  1.00  0.00           H  
HETATM   21  H4  UNL     1       3.687   0.367  -1.343  1.00  0.00           H  
HETATM   22  H5  UNL     1       5.170   0.087  -0.417  1.00  0.00           H  
HETATM   23  H6  UNL     1       3.762  -1.916  -0.370  1.00  0.00           H  
HETATM   24  H7  UNL     1       3.811  -1.210   1.308  1.00  0.00           H  
HETATM   25  H8  UNL     1      -0.399  -3.680   1.549  1.00  0.00           H  
HETATM   26  H9  UNL     1      -3.431  -2.074   0.954  1.00  0.00           H  
HETATM   27  H10 UNL     1      -4.972  -0.429   0.288  1.00  0.00           H  
HETATM   28  H11 UNL     1      -5.262   1.872  -0.708  1.00  0.00           H  
HETATM   29  H12 UNL     1      -3.310   3.201  -1.357  1.00  0.00           H  
HETATM   30  H13 UNL     1      -1.065   2.325  -1.053  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3   21   22
CONECT    3    4   23   24
CONECT    4    5    5   17
CONECT    5    6
CONECT    6    7   16   16
CONECT    7    8    8    9
CONECT    8   25
CONECT    9   10   26
CONECT   10   11   11   15
CONECT   11   12   27
CONECT   12   13   13   28
CONECT   13   14   29
CONECT   14   15   15   30
CONECT   15   16
CONECT   16   17
END