COMPND    HMDB0014353
HETATM    1 CL1  UNL     1       3.072   1.364  -2.339  1.00  0.00          CL  
HETATM    2  C1  UNL     1       3.222   0.611  -0.757  1.00  0.00           C  
HETATM    3  C2  UNL     1       4.457   0.357  -0.203  1.00  0.00           C  
HETATM    4  C3  UNL     1       4.601  -0.232   1.035  1.00  0.00           C  
HETATM    5  C4  UNL     1       3.451  -0.567   1.716  1.00  0.00           C  
HETATM    6  C5  UNL     1       2.196  -0.307   1.148  1.00  0.00           C  
HETATM    7  C6  UNL     1       2.049   0.275  -0.077  1.00  0.00           C  
HETATM    8  C7  UNL     1       0.772   0.560  -0.679  1.00  0.00           C  
HETATM    9  N1  UNL     1      -0.425   0.213  -0.007  1.00  0.00           N  
HETATM   10  C8  UNL     1      -0.655  -1.165   0.243  1.00  0.00           C  
HETATM   11  C9  UNL     1      -1.929  -1.697  -0.406  1.00  0.00           C  
HETATM   12  C10 UNL     1      -3.080  -0.821  -0.027  1.00  0.00           C  
HETATM   13  S1  UNL     1      -4.650  -0.862   0.613  1.00  0.00           S  
HETATM   14  C11 UNL     1      -4.986   0.817   0.606  1.00  0.00           C  
HETATM   15  C12 UNL     1      -3.840   1.361   0.093  1.00  0.00           C  
HETATM   16  C13 UNL     1      -2.852   0.517  -0.235  1.00  0.00           C  
HETATM   17  C14 UNL     1      -1.505   0.806  -0.815  1.00  0.00           C  
HETATM   18  H1  UNL     1       5.373   0.616  -0.728  1.00  0.00           H  
HETATM   19  H2  UNL     1       5.582  -0.421   1.448  1.00  0.00           H  
HETATM   20  H3  UNL     1       3.499  -1.034   2.695  1.00  0.00           H  
HETATM   21  H4  UNL     1       1.319  -0.570   1.695  1.00  0.00           H  
HETATM   22  H5  UNL     1       0.734   0.192  -1.753  1.00  0.00           H  
HETATM   23  H6  UNL     1       0.734   1.686  -0.825  1.00  0.00           H  
HETATM   24  H7  UNL     1       0.163  -1.800  -0.134  1.00  0.00           H  
HETATM   25  H8  UNL     1      -0.861  -1.304   1.344  1.00  0.00           H  
HETATM   26  H9  UNL     1      -1.815  -1.828  -1.489  1.00  0.00           H  
HETATM   27  H10 UNL     1      -2.131  -2.683   0.048  1.00  0.00           H  
HETATM   28  H11 UNL     1      -5.902   1.347   0.932  1.00  0.00           H  
HETATM   29  H12 UNL     1      -3.797   2.468  -0.019  1.00  0.00           H  
HETATM   30  H13 UNL     1      -1.334   1.865  -0.985  1.00  0.00           H  
HETATM   31  H14 UNL     1      -1.462   0.233  -1.787  1.00  0.00           H  
CONECT    1    2
CONECT    2    3    3    7
CONECT    3    4   18
CONECT    4    5    5   19
CONECT    5    6   20
CONECT    6    7    7   21
CONECT    7    8
CONECT    8    9   22   23
CONECT    9   10   17
CONECT   10   11   24   25
CONECT   11   12   26   27
CONECT   12   13   16   16
CONECT   13   14
CONECT   14   15   15   28
CONECT   15   16   29
CONECT   16   17
CONECT   17   30   31
END