COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.714  -2.273   0.206  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.953  -1.764  -0.869  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.852  -2.584  -2.129  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.315  -0.468  -0.935  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.419   0.327   0.291  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.462  -0.301   1.219  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.821  -0.220   0.575  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.264  -1.247  -0.238  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.511  -1.172  -0.829  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.316  -0.070  -0.609  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.874   0.957   0.204  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.629   0.880   0.800  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.062   0.358   0.996  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.164   1.133   2.192  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.020   0.985   0.069  1.00  0.00           C  
HETATM   16  N   UNL     1       0.306   0.906   0.697  1.00  0.00           N  
HETATM   17  C   UNL     1       1.351   1.387  -0.217  1.00  0.00           C  
HETATM   18  C   UNL     1       1.487   2.909  -0.096  1.00  0.00           C  
HETATM   19  C   UNL     1       2.769   3.357  -0.805  1.00  0.00           C  
HETATM   20  C   UNL     1       2.844   4.885  -0.808  1.00  0.00           C  
HETATM   21  C   UNL     1       2.762   2.842  -2.246  1.00  0.00           C  
HETATM   22  C   UNL     1       2.690   0.765   0.160  1.00  0.00           C  
HETATM   23  C   UNL     1       2.869  -0.571   0.502  1.00  0.00           C  
HETATM   24  C   UNL     1       4.115  -0.926   0.801  1.00  0.00           C  
HETATM   25  S   UNL     1       5.178   0.467   0.662  1.00  0.00           S  
HETATM   26  C   UNL     1       3.832   1.490   0.189  1.00  0.00           C  
HETATM   27  O   UNL     1       3.901   2.821  -0.110  1.00  0.00           O  
HETATM   28  C   UNL     1       4.549  -2.313   1.199  1.00  0.00           C  
HETATM   29  C   UNL     1       4.938  -3.104  -0.051  1.00  0.00           C  
HETATM   30  C   UNL     1       3.734  -3.197  -0.990  1.00  0.00           C  
HETATM   31  C   UNL     1       6.089  -2.395  -0.767  1.00  0.00           C  
HETATM   32  C   UNL     1       5.379  -4.512   0.353  1.00  0.00           C  
HETATM   33  H   UNL     1      -2.554  -3.601  -1.878  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.820  -2.602  -2.630  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.109  -2.140  -2.792  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.507  -0.061  -1.794  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.722   1.344   0.041  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.206  -1.345   1.398  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.476   0.238   2.167  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.635  -2.108  -0.410  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.856  -1.975  -1.464  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.290  -0.012  -1.071  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.502   1.818   0.376  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.283   1.682   1.435  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.760  -0.659   1.247  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.429   2.051   2.045  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.005   0.447  -0.879  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.275   2.030  -0.111  1.00  0.00           H  
HETATM   49  H   UNL     1       0.325   1.416   1.567  1.00  0.00           H  
HETATM   50  H   UNL     1       1.095   1.120  -1.242  1.00  0.00           H  
HETATM   51  H   UNL     1       0.626   3.389  -0.560  1.00  0.00           H  
HETATM   52  H   UNL     1       1.537   3.188   0.957  1.00  0.00           H  
HETATM   53  H   UNL     1       2.851   5.251   0.218  1.00  0.00           H  
HETATM   54  H   UNL     1       3.756   5.203  -1.314  1.00  0.00           H  
HETATM   55  H   UNL     1       1.979   5.291  -1.332  1.00  0.00           H  
HETATM   56  H   UNL     1       1.897   3.245  -2.772  1.00  0.00           H  
HETATM   57  H   UNL     1       3.675   3.162  -2.750  1.00  0.00           H  
HETATM   58  H   UNL     1       2.711   1.753  -2.243  1.00  0.00           H  
HETATM   59  H   UNL     1       2.050  -1.274   0.523  1.00  0.00           H  
HETATM   60  H   UNL     1       5.407  -2.247   1.868  1.00  0.00           H  
HETATM   61  H   UNL     1       3.729  -2.819   1.709  1.00  0.00           H  
HETATM   62  H   UNL     1       4.010  -3.761  -1.881  1.00  0.00           H  
HETATM   63  H   UNL     1       2.913  -3.703  -0.481  1.00  0.00           H  
HETATM   64  H   UNL     1       3.419  -2.194  -1.278  1.00  0.00           H  
HETATM   65  H   UNL     1       6.947  -2.329  -0.097  1.00  0.00           H  
HETATM   66  H   UNL     1       6.366  -2.959  -1.658  1.00  0.00           H  
HETATM   67  H   UNL     1       5.775  -1.392  -1.055  1.00  0.00           H  
HETATM   68  H   UNL     1       6.237  -4.446   1.022  1.00  0.00           H  
HETATM   69  H   UNL     1       4.559  -5.018   0.863  1.00  0.00           H  
HETATM   70  H   UNL     1       5.656  -5.076  -0.538  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   33   34   35                                       
CONECT    4    5    2   36                                            
CONECT    5    6   13    4   37                                       
CONECT    6    7    5   38   39                                       
CONECT    7   12    8    8    6                                       
CONECT    8    9    7    7   40                                       
CONECT    9   10   10    8   41                                       
CONECT   10    9    9   11   42                                       
CONECT   11   10   12   12   43                                       
CONECT   12   11   11    7   44                                       
CONECT   13   14    5   15   45                                       
CONECT   14   13   46                                                 
CONECT   15   13   16   47   48                                       
CONECT   16   15   17   49                                            
CONECT   17   22   16   18   50                                       
CONECT   18   17   19   51   52                                       
CONECT   19   27   18   21   20                                       
CONECT   20   19   53   54   55                                       
CONECT   21   19   56   57   58                                       
CONECT   22   23   26   26   17                                       
CONECT   23   24   24   22   59                                       
CONECT   24   28   23   23   25                                       
CONECT   25   24   26                                                 
CONECT   26   25   22   22   27                                       
CONECT   27   26   19                                                 
CONECT   28   29   24   60   61                                       
CONECT   29   32   31   28   30                                       
CONECT   30   29   62   63   64                                       
CONECT   31   29   65   66   67                                       
CONECT   32   29   68   69   70                                       
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   23                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
