COMPND    HMDB0240228
HETATM    1  C1  UNL     1       3.432   1.158  -0.772  1.00  0.00           C  
HETATM    2  N1  UNL     1       2.985  -0.172  -0.480  1.00  0.00           N  
HETATM    3  C2  UNL     1       3.999  -0.977   0.149  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.694  -0.227   0.094  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.637   0.118  -0.914  1.00  0.00           C  
HETATM    6  N2  UNL     1      -0.709   0.045  -0.363  1.00  0.00           N  
HETATM    7  C5  UNL     1      -1.253  -1.270  -0.152  1.00  0.00           C  
HETATM    8  C6  UNL     1      -0.494  -2.358  -0.530  1.00  0.00           C  
HETATM    9  C7  UNL     1      -1.022  -3.634  -0.332  1.00  0.00           C  
HETATM   10  C8  UNL     1      -2.254  -3.840   0.218  1.00  0.00           C  
HETATM   11  C9  UNL     1      -3.005  -2.749   0.593  1.00  0.00           C  
HETATM   12  C10 UNL     1      -2.495  -1.493   0.401  1.00  0.00           C  
HETATM   13  S1  UNL     1      -3.551  -0.154   0.908  1.00  0.00           S  
HETATM   14  C11 UNL     1      -2.627   1.350   0.521  1.00  0.00           C  
HETATM   15  C12 UNL     1      -3.232   2.547   0.817  1.00  0.00           C  
HETATM   16  C13 UNL     1      -2.603   3.740   0.565  1.00  0.00           C  
HETATM   17  C14 UNL     1      -1.359   3.668   0.011  1.00  0.00           C  
HETATM   18  C15 UNL     1      -0.733   2.461  -0.293  1.00  0.00           C  
HETATM   19  C16 UNL     1      -1.371   1.266  -0.039  1.00  0.00           C  
HETATM   20  H1  UNL     1       2.600   1.808  -1.016  1.00  0.00           H  
HETATM   21  H2  UNL     1       4.032   1.536   0.092  1.00  0.00           H  
HETATM   22  H3  UNL     1       4.143   1.146  -1.648  1.00  0.00           H  
HETATM   23  H4  UNL     1       4.653  -1.424  -0.660  1.00  0.00           H  
HETATM   24  H5  UNL     1       4.719  -0.383   0.770  1.00  0.00           H  
HETATM   25  H6  UNL     1       3.577  -1.815   0.725  1.00  0.00           H  
HETATM   26  H7  UNL     1       1.683   0.598   0.900  1.00  0.00           H  
HETATM   27  H8  UNL     1       1.439  -1.125   0.650  1.00  0.00           H  
HETATM   28  H9  UNL     1       0.850   1.038  -1.483  1.00  0.00           H  
HETATM   29  H10 UNL     1       0.736  -0.650  -1.766  1.00  0.00           H  
HETATM   30  H11 UNL     1       0.477  -2.289  -0.989  1.00  0.00           H  
HETATM   31  H12 UNL     1      -0.404  -4.474  -0.639  1.00  0.00           H  
HETATM   32  H13 UNL     1      -2.667  -4.823   0.375  1.00  0.00           H  
HETATM   33  H14 UNL     1      -3.984  -2.927   1.036  1.00  0.00           H  
HETATM   34  H15 UNL     1      -4.242   2.536   1.265  1.00  0.00           H  
HETATM   35  H16 UNL     1      -3.112   4.661   0.809  1.00  0.00           H  
HETATM   36  H17 UNL     1      -0.819   4.589  -0.205  1.00  0.00           H  
HETATM   37  H18 UNL     1       0.281   2.517  -0.724  1.00  0.00           H  
CONECT    1    2   20   21   22
CONECT    2    3    4
CONECT    3   23   24   25
CONECT    4    5   26   27
CONECT    5    6   28   29
CONECT    6    7   19
CONECT    7    8    8   12
CONECT    8    9   30
CONECT    9   10   10   31
CONECT   10   11   32
CONECT   11   12   12   33
CONECT   12   13
CONECT   13   14
CONECT   14   15   15   19
CONECT   15   16   34
CONECT   16   17   17   35
CONECT   17   18   36
CONECT   18   19   19   37
END