COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.856  -4.219   2.558  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.797  -3.501   1.679  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.722  -2.572   0.540  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.264  -2.426   0.097  1.00  0.00           C  
HETATM    5  S   UNL     1      -3.171  -1.284  -1.304  1.00  0.00           S  
HETATM    6  C   UNL     1      -3.408   0.248  -0.465  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.307   0.983   0.042  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.547   2.207   0.708  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.801   2.663   0.854  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.835   2.007   0.396  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.692   0.785  -0.283  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.874   0.075  -0.791  1.00  0.00           C  
HETATM   13  O   UNL     1      -7.104   0.597  -0.612  1.00  0.00           O  
HETATM   14  C   UNL     1      -8.225  -0.159  -1.141  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.528   0.586  -0.843  1.00  0.00           C  
HETATM   16  O   UNL     1      -5.743  -0.985  -1.374  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.458   2.937   1.212  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.191   2.465   1.058  1.00  0.00           C  
HETATM   19  C   UNL     1       0.050   1.256   0.401  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.995   0.515  -0.104  1.00  0.00           C  
HETATM   21  O   UNL     1       1.326   0.808   0.261  1.00  0.00           O  
HETATM   22  C   UNL     1       2.364   1.623   0.808  1.00  0.00           C  
HETATM   23  C   UNL     1       3.700   0.970   0.558  1.00  0.00           C  
HETATM   24  C   UNL     1       4.407   1.249  -0.594  1.00  0.00           C  
HETATM   25  N   UNL     1       5.577   0.684  -0.823  1.00  0.00           N  
HETATM   26  C   UNL     1       6.117  -0.167   0.036  1.00  0.00           C  
HETATM   27  C   UNL     1       5.459  -0.494   1.217  1.00  0.00           C  
HETATM   28  C   UNL     1       4.233   0.087   1.487  1.00  0.00           C  
HETATM   29  N   UNL     1       7.352  -0.740  -0.246  1.00  0.00           N  
HETATM   30  C   UNL     1       7.871  -0.264  -1.536  1.00  0.00           C  
HETATM   31  C   UNL     1       9.190  -0.976  -1.846  1.00  0.00           C  
HETATM   32  N   UNL     1      10.151  -0.714  -0.765  1.00  0.00           N  
HETATM   33  C   UNL     1       9.632  -1.189   0.525  1.00  0.00           C  
HETATM   34  C   UNL     1       8.313  -0.478   0.834  1.00  0.00           C  
HETATM   35  H   UNL     1      -5.315  -2.962  -0.287  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.110  -1.599   0.839  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.671  -2.036   0.924  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.876  -3.400  -0.202  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.804  -0.420  -0.611  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.627   3.874   1.722  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.824   2.417   0.539  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.110  -0.274  -2.218  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.254  -1.142  -0.671  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.643   0.701   0.234  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.500   1.569  -1.313  1.00  0.00           H  
HETATM   46  H   UNL     1     -10.370   0.018  -1.240  1.00  0.00           H  
HETATM   47  H   UNL     1       0.640   3.033   1.448  1.00  0.00           H  
HETATM   48  H   UNL     1       2.345   2.604   0.332  1.00  0.00           H  
HETATM   49  H   UNL     1       2.210   1.736   1.881  1.00  0.00           H  
HETATM   50  H   UNL     1       3.998   1.939  -1.318  1.00  0.00           H  
HETATM   51  H   UNL     1       3.701  -0.144   2.398  1.00  0.00           H  
HETATM   52  H   UNL     1       5.901  -1.189   1.916  1.00  0.00           H  
HETATM   53  H   UNL     1       7.148  -0.481  -2.322  1.00  0.00           H  
HETATM   54  H   UNL     1       8.042   0.811  -1.485  1.00  0.00           H  
HETATM   55  H   UNL     1       8.488   0.595   0.912  1.00  0.00           H  
HETATM   56  H   UNL     1       7.911  -0.850   1.777  1.00  0.00           H  
HETATM   57  H   UNL     1       9.015  -2.049  -1.924  1.00  0.00           H  
HETATM   58  H   UNL     1       9.592  -0.604  -2.788  1.00  0.00           H  
HETATM   59  H   UNL     1      11.047  -1.129  -0.970  1.00  0.00           H  
HETATM   60  H   UNL     1       9.461  -2.265   0.474  1.00  0.00           H  
HETATM   61  H   UNL     1      10.355  -0.973   1.310  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    1    1    1    3                                       
CONECT    3    2    4   35   36                                       
CONECT    4    3    5   37   38                                       
CONECT    5    4    6                                                 
CONECT    6    5    7   11   11                                       
CONECT    7    6    8    8   20                                       
CONECT    8    7    7    9   17                                       
CONECT    9    8   10   10                                            
CONECT   10    9    9   11   41                                       
CONECT   11    6    6   10   12                                       
CONECT   12   11   13   16   16                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   42   43                                       
CONECT   15   14   44   45   46                                       
CONECT   16   12   12                                                 
CONECT   17    8   18   18   40                                       
CONECT   18   17   17   19   47                                       
CONECT   19   18   20   20   21                                       
CONECT   20    7   19   19   39                                       
CONECT   21   19   22                                                 
CONECT   22   21   23   48   49                                       
CONECT   23   22   24   28   28                                       
CONECT   24   23   25   25   50                                       
CONECT   25   24   24   26                                            
CONECT   26   25   27   27   29                                       
CONECT   27   26   26   28   52                                       
CONECT   28   23   23   27   51                                       
CONECT   29   26   30   34                                            
CONECT   30   29   31   53   54                                       
CONECT   31   30   32   57   58                                       
CONECT   32   31   33   59                                            
CONECT   33   32   34   60   61                                       
CONECT   34   29   33   55   56                                       
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39   20                                                      
CONECT   40   17                                                      
CONECT   41   10                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   18                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   24                                                      
CONECT   51   28                                                      
CONECT   52   27                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
CONECT   55   34                                                      
CONECT   56   34                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
CONECT   61   33                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
