COMPND    HMDB0015142
HETATM    1 CL1  UNL     1       5.129   3.853  -0.282  1.00  0.00          CL  
HETATM    2  C1  UNL     1       3.865   2.668  -0.055  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.603   1.766  -1.064  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.611   0.807  -0.935  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.842   0.714   0.210  1.00  0.00           C  
HETATM    6  C5  UNL     1       0.778  -0.310   0.317  1.00  0.00           C  
HETATM    7  C6  UNL     1       0.980  -1.294  -0.863  1.00  0.00           C  
HETATM    8  N1  UNL     1       0.005  -2.363  -0.848  1.00  0.00           N  
HETATM    9  C7  UNL     1       0.124  -3.540  -0.209  1.00  0.00           C  
HETATM   10  C8  UNL     1      -0.986  -4.323  -0.430  1.00  0.00           C  
HETATM   11  N2  UNL     1      -1.780  -3.582  -1.224  1.00  0.00           N  
HETATM   12  C9  UNL     1      -1.184  -2.403  -1.476  1.00  0.00           C  
HETATM   13  O1  UNL     1      -0.453   0.314   0.136  1.00  0.00           O  
HETATM   14  C10 UNL     1      -1.423   0.042   1.048  1.00  0.00           C  
HETATM   15  C11 UNL     1      -2.706   0.796   0.707  1.00  0.00           C  
HETATM   16  C12 UNL     1      -2.828   1.604  -0.350  1.00  0.00           C  
HETATM   17  C13 UNL     1      -4.039   2.220  -0.539  1.00  0.00           C  
HETATM   18  S1  UNL     1      -4.967   1.646   0.769  1.00  0.00           S  
HETATM   19  C14 UNL     1      -3.806   0.650   1.515  1.00  0.00           C  
HETATM   20 CL2  UNL     1      -3.951  -0.345   2.977  1.00  0.00          CL  
HETATM   21  C15 UNL     1       2.109   1.616   1.213  1.00  0.00           C  
HETATM   22 CL3  UNL     1       1.261   1.617   2.748  1.00  0.00          CL  
HETATM   23  C16 UNL     1       3.111   2.589   1.089  1.00  0.00           C  
HETATM   24  H1  UNL     1       4.194   1.807  -1.995  1.00  0.00           H  
HETATM   25  H2  UNL     1       2.505   0.144  -1.798  1.00  0.00           H  
HETATM   26  H3  UNL     1       0.823  -0.873   1.249  1.00  0.00           H  
HETATM   27  H4  UNL     1       2.023  -1.614  -0.890  1.00  0.00           H  
HETATM   28  H5  UNL     1       0.786  -0.649  -1.771  1.00  0.00           H  
HETATM   29  H6  UNL     1       0.954  -3.891   0.414  1.00  0.00           H  
HETATM   30  H7  UNL     1      -1.186  -5.323  -0.051  1.00  0.00           H  
HETATM   31  H8  UNL     1      -1.609  -1.600  -2.099  1.00  0.00           H  
HETATM   32  H9  UNL     1      -1.676  -1.060   0.975  1.00  0.00           H  
HETATM   33  H10 UNL     1      -1.130   0.310   2.056  1.00  0.00           H  
HETATM   34  H11 UNL     1      -1.997   1.795  -1.072  1.00  0.00           H  
HETATM   35  H12 UNL     1      -4.298   2.913  -1.361  1.00  0.00           H  
HETATM   36  H13 UNL     1       3.314   3.301   1.892  1.00  0.00           H  
CONECT    1    2
CONECT    2    3    3   23
CONECT    3    4   24
CONECT    4    5    5   25
CONECT    5    6   21
CONECT    6    7   13   26
CONECT    7    8   27   28
CONECT    8    9   12
CONECT    9   10   10   29
CONECT   10   11   30
CONECT   11   12   12
CONECT   12   31
CONECT   13   14
CONECT   14   15   32   33
CONECT   15   16   19   19
CONECT   16   17   17   34
CONECT   17   18   35
CONECT   18   19
CONECT   19   20
CONECT   21   22   23   23
CONECT   23   36
END