COMPND    HMDB0248966
HETATM    1  C1  UNL     1      -3.620  -1.486  -0.593  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.570  -1.348   0.479  1.00  0.00           C  
HETATM    3  N1  UNL     1      -1.941  -0.062   0.513  1.00  0.00           N  
HETATM    4  C3  UNL     1      -2.480   0.986   1.317  1.00  0.00           C  
HETATM    5  C4  UNL     1      -3.490   1.840   0.593  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.778   0.164  -0.257  1.00  0.00           C  
HETATM    7  O1  UNL     1      -0.261   1.314  -0.189  1.00  0.00           O  
HETATM    8  S1  UNL     1      -0.030  -1.051  -1.288  1.00  0.00           S  
HETATM    9  C6  UNL     1       1.444  -0.418  -2.072  1.00  0.00           C  
HETATM   10  C7  UNL     1       2.572  -0.141  -1.164  1.00  0.00           C  
HETATM   11  C8  UNL     1       3.425  -1.197  -0.819  1.00  0.00           C  
HETATM   12  C9  UNL     1       4.511  -1.028   0.011  1.00  0.00           C  
HETATM   13  C10 UNL     1       4.788   0.204   0.530  1.00  0.00           C  
HETATM   14 CL1  UNL     1       6.162   0.437   1.589  1.00  0.00          CL  
HETATM   15  C11 UNL     1       3.980   1.275   0.222  1.00  0.00           C  
HETATM   16  C12 UNL     1       2.882   1.080  -0.625  1.00  0.00           C  
HETATM   17  H1  UNL     1      -4.000  -2.541  -0.518  1.00  0.00           H  
HETATM   18  H2  UNL     1      -3.176  -1.382  -1.582  1.00  0.00           H  
HETATM   19  H3  UNL     1      -4.503  -0.842  -0.415  1.00  0.00           H  
HETATM   20  H4  UNL     1      -1.825  -2.175   0.297  1.00  0.00           H  
HETATM   21  H5  UNL     1      -3.006  -1.593   1.483  1.00  0.00           H  
HETATM   22  H6  UNL     1      -2.933   0.551   2.245  1.00  0.00           H  
HETATM   23  H7  UNL     1      -1.678   1.681   1.704  1.00  0.00           H  
HETATM   24  H8  UNL     1      -3.163   2.898   0.524  1.00  0.00           H  
HETATM   25  H9  UNL     1      -4.435   1.845   1.172  1.00  0.00           H  
HETATM   26  H10 UNL     1      -3.626   1.486  -0.446  1.00  0.00           H  
HETATM   27  H11 UNL     1       1.246   0.525  -2.651  1.00  0.00           H  
HETATM   28  H12 UNL     1       1.762  -1.163  -2.863  1.00  0.00           H  
HETATM   29  H13 UNL     1       3.180  -2.177  -1.250  1.00  0.00           H  
HETATM   30  H14 UNL     1       5.134  -1.876   0.245  1.00  0.00           H  
HETATM   31  H15 UNL     1       4.168   2.262   0.614  1.00  0.00           H  
HETATM   32  H16 UNL     1       2.258   1.933  -0.872  1.00  0.00           H  
CONECT    1    2   17   18   19
CONECT    2    3   20   21
CONECT    3    4    6
CONECT    4    5   22   23
CONECT    5   24   25   26
CONECT    6    7    7    8
CONECT    8    9
CONECT    9   10   27   28
CONECT   10   11   11   16
CONECT   11   12   29
CONECT   12   13   13   30
CONECT   13   14   15
CONECT   15   16   16   31
CONECT   16   32
END