COMPND    HMDB0015512
HETATM    1  C1  UNL     1       3.588  -2.154   1.398  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.466  -1.797  -0.048  1.00  0.00           C  
HETATM    3  C3  UNL     1       2.444  -0.697  -0.157  1.00  0.00           C  
HETATM    4  C4  UNL     1       1.092  -0.790  -0.334  1.00  0.00           C  
HETATM    5  C5  UNL     1       0.377   0.343  -0.399  1.00  0.00           C  
HETATM    6  C6  UNL     1       1.097   1.515  -0.285  1.00  0.00           C  
HETATM    7  S1  UNL     1       2.701   1.001  -0.086  1.00  0.00           S  
HETATM    8  N1  UNL     1       0.616   2.882  -0.398  1.00  0.00           N  
HETATM    9  C7  UNL     1       1.426   3.825   0.286  1.00  0.00           C  
HETATM   10  C8  UNL     1      -0.547   3.303  -1.131  1.00  0.00           C  
HETATM   11  O1  UNL     1      -0.843   4.479  -1.043  1.00  0.00           O  
HETATM   12  C9  UNL     1      -1.390   2.411  -1.970  1.00  0.00           C  
HETATM   13  N2  UNL     1      -1.789   1.227  -1.230  1.00  0.00           N  
HETATM   14  C10 UNL     1      -1.102   0.330  -0.554  1.00  0.00           C  
HETATM   15  C11 UNL     1      -1.884  -0.723   0.054  1.00  0.00           C  
HETATM   16  C12 UNL     1      -1.443  -1.693   0.899  1.00  0.00           C  
HETATM   17  C13 UNL     1      -2.274  -2.702   1.334  1.00  0.00           C  
HETATM   18  C14 UNL     1      -3.575  -2.744   0.918  1.00  0.00           C  
HETATM   19  C15 UNL     1      -4.079  -1.788   0.066  1.00  0.00           C  
HETATM   20  C16 UNL     1      -3.222  -0.796  -0.350  1.00  0.00           C  
HETATM   21 CL1  UNL     1      -3.906   0.410  -1.443  1.00  0.00          CL  
HETATM   22  H1  UNL     1       3.336  -1.289   2.054  1.00  0.00           H  
HETATM   23  H2  UNL     1       4.625  -2.450   1.662  1.00  0.00           H  
HETATM   24  H3  UNL     1       2.846  -2.955   1.684  1.00  0.00           H  
HETATM   25  H4  UNL     1       4.392  -1.508  -0.541  1.00  0.00           H  
HETATM   26  H5  UNL     1       3.039  -2.661  -0.592  1.00  0.00           H  
HETATM   27  H6  UNL     1       0.665  -1.810  -0.464  1.00  0.00           H  
HETATM   28  H7  UNL     1       1.315   3.794   1.390  1.00  0.00           H  
HETATM   29  H8  UNL     1       2.509   3.643   0.084  1.00  0.00           H  
HETATM   30  H9  UNL     1       1.195   4.843  -0.047  1.00  0.00           H  
HETATM   31  H10 UNL     1      -2.336   2.915  -2.257  1.00  0.00           H  
HETATM   32  H11 UNL     1      -0.774   2.101  -2.837  1.00  0.00           H  
HETATM   33  H12 UNL     1      -0.409  -1.642   1.306  1.00  0.00           H  
HETATM   34  H13 UNL     1      -1.837  -3.440   2.009  1.00  0.00           H  
HETATM   35  H14 UNL     1      -4.206  -3.545   1.274  1.00  0.00           H  
HETATM   36  H15 UNL     1      -5.112  -1.837  -0.251  1.00  0.00           H  
CONECT    1    2   22   23   24
CONECT    2    3   25   26
CONECT    3    4    4    7
CONECT    4    5   27
CONECT    5    6    6   14
CONECT    6    7    8
CONECT    8    9   10
CONECT    9   28   29   30
CONECT   10   11   11   12
CONECT   12   13   31   32
CONECT   13   14   14
CONECT   14   15
CONECT   15   16   16   20
CONECT   16   17   33
CONECT   17   18   18   34
CONECT   18   19   35
CONECT   19   20   20   36
CONECT   20   21
END