COMPND    HMDB0015666
HETATM    1  C1  UNL     1       0.378  -1.474  -1.426  1.00  0.00           C  
HETATM    2  N1  UNL     1       1.232  -0.732  -0.488  1.00  0.00           N  
HETATM    3  C2  UNL     1       0.692  -0.099   0.647  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.557  -0.376   1.003  1.00  0.00           C  
HETATM    5  O1  UNL     1      -1.070   0.282   2.154  1.00  0.00           O  
HETATM    6  N2  UNL     1      -1.450  -1.247   0.385  1.00  0.00           N  
HETATM    7  C4  UNL     1      -2.711  -0.761  -0.052  1.00  0.00           C  
HETATM    8  C5  UNL     1      -3.065   0.563   0.110  1.00  0.00           C  
HETATM    9  C6  UNL     1      -4.295   1.051  -0.309  1.00  0.00           C  
HETATM   10  C7  UNL     1      -5.173   0.184  -0.898  1.00  0.00           C  
HETATM   11  C8  UNL     1      -4.819  -1.119  -1.055  1.00  0.00           C  
HETATM   12  N3  UNL     1      -3.630  -1.550  -0.640  1.00  0.00           N  
HETATM   13  C9  UNL     1       1.456   0.830   1.464  1.00  0.00           C  
HETATM   14  O2  UNL     1       0.902   1.362   2.456  1.00  0.00           O  
HETATM   15  C10 UNL     1       2.844   1.183   1.194  1.00  0.00           C  
HETATM   16  S1  UNL     1       3.896   2.336   1.937  1.00  0.00           S  
HETATM   17  C11 UNL     1       5.252   2.154   0.921  1.00  0.00           C  
HETATM   18 CL1  UNL     1       6.817   2.989   0.981  1.00  0.00          CL  
HETATM   19  C12 UNL     1       4.843   1.198   0.036  1.00  0.00           C  
HETATM   20  C13 UNL     1       3.605   0.697   0.177  1.00  0.00           C  
HETATM   21  S2  UNL     1       2.913  -0.606  -0.786  1.00  0.00           S  
HETATM   22  O3  UNL     1       3.204  -0.401  -2.245  1.00  0.00           O  
HETATM   23  O4  UNL     1       3.622  -1.898  -0.395  1.00  0.00           O  
HETATM   24  H1  UNL     1       0.989  -1.384  -2.403  1.00  0.00           H  
HETATM   25  H2  UNL     1       0.388  -2.551  -1.283  1.00  0.00           H  
HETATM   26  H3  UNL     1      -0.533  -0.971  -1.710  1.00  0.00           H  
HETATM   27  H4  UNL     1      -1.500  -0.323   2.848  1.00  0.00           H  
HETATM   28  H5  UNL     1      -1.227  -2.233   0.261  1.00  0.00           H  
HETATM   29  H6  UNL     1      -2.404   1.294   0.568  1.00  0.00           H  
HETATM   30  H7  UNL     1      -4.553   2.090  -0.174  1.00  0.00           H  
HETATM   31  H8  UNL     1      -6.158   0.485  -1.255  1.00  0.00           H  
HETATM   32  H9  UNL     1      -5.464  -1.867  -1.514  1.00  0.00           H  
HETATM   33  H10 UNL     1       5.576   0.896  -0.755  1.00  0.00           H  
CONECT    1    2   24   25   26
CONECT    2    3   21
CONECT    3    4    4   13
CONECT    4    5    6
CONECT    5   27
CONECT    6    7   28
CONECT    7    8    8   12
CONECT    8    9   29
CONECT    9   10   10   30
CONECT   10   11   31
CONECT   11   12   12   32
CONECT   13   14   14   15
CONECT   15   16   20   20
CONECT   16   17
CONECT   17   18   19   19
CONECT   19   20   33
CONECT   20   21
CONECT   21   22   22   23   23
END