COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.760   1.698   0.881  1.00  0.00           C  
HETATM    2  C   UNL     1       0.877   0.185   0.647  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.549   0.063  -0.150  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.552  -0.991   0.049  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.784  -2.380   0.032  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.176  -0.810   0.294  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.255   0.173  -0.416  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.624   1.639  -1.613  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.861   0.801  -0.355  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.852  -0.257  -0.274  1.00  0.00           N  
HETATM   11  O   UNL     1      -3.200   1.228  -0.203  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.653  -2.997   0.247  1.00  0.00           N  
HETATM   13  N   UNL     1      -0.631  -2.056   0.415  1.00  0.00           N  
HETATM   14  N   UNL     1      -0.420   0.282   0.411  1.00  0.00           N  
HETATM   15  C   UNL     1       1.474  -1.085   0.777  1.00  0.00           C  
HETATM   16  C   UNL     1       0.706  -2.193   0.659  1.00  0.00           C  
HETATM   17  N   UNL     1       1.648   1.326   0.759  1.00  0.00           N  
HETATM   18  S   UNL     1       3.290   1.203   0.929  1.00  0.00           S  
HETATM   19  O   UNL     1       3.784   2.531   1.037  1.00  0.00           O  
HETATM   20  O   UNL     1       3.518   0.207   1.917  1.00  0.00           O  
HETATM   21  C   UNL     1       3.924   0.558  -0.583  1.00  0.00           C  
HETATM   22  C   UNL     1       4.149   1.260  -1.718  1.00  0.00           C  
HETATM   23  C   UNL     1       4.653   0.376  -2.678  1.00  0.00           C  
HETATM   24  N   UNL     1       4.728  -0.814  -2.138  1.00  0.00           N  
HETATM   25  N   UNL     1       4.279  -0.724  -0.815  1.00  0.00           N  
HETATM   26  C   UNL     1       4.203  -1.826   0.147  1.00  0.00           C  
HETATM   27  H   UNL     1      -6.459   2.529   0.785  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.004   1.118   1.771  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.745   2.085   0.967  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.740  -2.856  -0.132  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.327  -0.465  -1.297  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.425  -0.423   0.480  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.007   0.961  -0.476  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.631   2.086  -1.569  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.696   1.000  -2.493  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.375   2.426  -1.673  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.121  -1.188  -0.310  1.00  0.00           H  
HETATM   38  H   UNL     1       2.533  -1.174   0.970  1.00  0.00           H  
HETATM   39  H   UNL     1       1.146  -3.175   0.756  1.00  0.00           H  
HETATM   40  H   UNL     1       1.227   2.200   0.738  1.00  0.00           H  
HETATM   41  H   UNL     1       3.970   2.316  -1.858  1.00  0.00           H  
HETATM   42  H   UNL     1       4.931   0.631  -3.690  1.00  0.00           H  
HETATM   43  H   UNL     1       3.269  -2.369   0.004  1.00  0.00           H  
HETATM   44  H   UNL     1       5.044  -2.502  -0.009  1.00  0.00           H  
HETATM   45  H   UNL     1       4.241  -1.427   1.161  1.00  0.00           H  
CONECT    1    9   27   28   29                                       
CONECT    2   17   15   14   14                                       
CONECT    3   10    4   11   11                                       
CONECT    4    6    6    3    5                                       
CONECT    5   12   12    4   30                                       
CONECT    6   14   13    4    4                                       
CONECT    7    9   31   32   33                                       
CONECT    8    9   34   35   36                                       
CONECT    9    8   10    1    7                                       
CONECT   10    9    3   37                                            
CONECT   11    3    3                                                 
CONECT   12   13    5    5                                            
CONECT   13   16    6   12                                            
CONECT   14    2    2    6                                            
CONECT   15    2   16   16   38                                       
CONECT   16   15   15   13   39                                       
CONECT   17   18    2   40                                            
CONECT   18   19   19   17   20                                       
CONECT   18   20   21                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   18   25   22   22                                       
CONECT   22   21   21   23   41                                       
CONECT   23   22   24   24   42                                       
CONECT   24   25   23   23                                            
CONECT   25   26   21   24                                            
CONECT   26   25   43   44   45                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
