COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.097  -3.658  -1.781  1.00  0.00           C  
HETATM    2  C   UNL     1      10.347  -2.169  -1.532  1.00  0.00           C  
HETATM    3  C   UNL     1       8.753  -1.844   0.261  1.00  0.00           C  
HETATM    4  C   UNL     1       7.372  -1.276   0.597  1.00  0.00           C  
HETATM    5  C   UNL     1       7.386   0.241   0.393  1.00  0.00           C  
HETATM    6  C   UNL     1       7.787   0.551  -1.052  1.00  0.00           C  
HETATM    7  C   UNL     1       5.837   1.743   1.661  1.00  0.00           C  
HETATM    8  C   UNL     1       4.583   2.261   1.911  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.158   2.556   0.867  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.261   2.046   0.196  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.502   2.642   0.389  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.446   4.185   1.881  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.282   3.595   1.680  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.077   0.949   0.109  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.063  -1.555   0.821  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.794   0.426  -2.304  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.290   1.331  -3.433  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.630   2.297  -5.525  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.461  -2.996   2.448  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.637  -1.948   2.578  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.285  -3.643   0.999  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.492  -5.749   1.206  1.00  0.00           C  
HETATM   23  O   UNL     1      -7.000  -3.359   0.058  1.00  0.00           O  
HETATM   24  O   UNL     1       9.219  -3.813  -2.897  1.00  0.00           O  
HETATM   25  N   UNL     1       9.090  -1.522  -1.132  1.00  0.00           N  
HETATM   26  C   UNL     1       9.156  -0.070  -1.340  1.00  0.00           C  
HETATM   27  C   UNL     1       6.013   0.799   0.665  1.00  0.00           C  
HETATM   28  C   UNL     1       3.491   1.832   1.156  1.00  0.00           C  
HETATM   29  C   UNL     1       2.145   2.383   1.418  1.00  0.00           C  
HETATM   30  O   UNL     1       1.987   3.213   2.293  1.00  0.00           O  
HETATM   31  N   UNL     1       1.092   1.966   0.688  1.00  0.00           N  
HETATM   32  C   UNL     1      -2.587   3.732   1.254  1.00  0.00           C  
HETATM   33  O   UNL     1      -3.605   2.173  -0.249  1.00  0.00           O  
HETATM   34  C   UNL     1      -3.508   0.274   1.170  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.997  -0.982   1.533  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.634  -0.860  -0.239  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.141   0.380  -0.595  1.00  0.00           C  
HETATM   38  O   UNL     1      -5.702   1.057  -1.633  1.00  0.00           O  
HETATM   39  O   UNL     1      -6.266   1.467  -4.421  1.00  0.00           O  
HETATM   40  N   UNL     1      -5.326  -2.785   1.400  1.00  0.00           N  
HETATM   41  N   UNL     1      -6.451  -4.816   1.641  1.00  0.00           N  
HETATM   42  C   UNL     1       3.675   0.879   0.152  1.00  0.00           C  
HETATM   43  C   UNL     1       4.933   0.365  -0.084  1.00  0.00           C  
HETATM   44  H   UNL     1      11.044  -4.154  -1.992  1.00  0.00           H  
HETATM   45  H   UNL     1       9.643  -4.103  -0.896  1.00  0.00           H  
HETATM   46  H   UNL     1      11.085  -2.052  -0.739  1.00  0.00           H  
HETATM   47  H   UNL     1      10.719  -1.705  -2.446  1.00  0.00           H  
HETATM   48  H   UNL     1       9.498  -1.406   0.925  1.00  0.00           H  
HETATM   49  H   UNL     1       8.742  -2.926   0.391  1.00  0.00           H  
HETATM   50  H   UNL     1       6.625  -1.724  -0.058  1.00  0.00           H  
HETATM   51  H   UNL     1       7.128  -1.502   1.635  1.00  0.00           H  
HETATM   52  H   UNL     1       8.106   0.694   1.076  1.00  0.00           H  
HETATM   53  H   UNL     1       7.047   0.131  -1.733  1.00  0.00           H  
HETATM   54  H   UNL     1       7.841   1.630  -1.192  1.00  0.00           H  
HETATM   55  H   UNL     1       6.684   2.077   2.241  1.00  0.00           H  
HETATM   56  H   UNL     1       4.448   2.997   2.690  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.156   1.200  -0.466  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.506   5.029   2.552  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.604   0.251  -1.596  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.463  -0.525  -2.720  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.178   0.892  -3.888  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.538   2.313  -3.030  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.504   1.878  -6.023  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.864   3.299  -5.165  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.800   2.349  -6.230  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.448  -3.877   3.073  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.855  -1.835   3.314  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.475  -6.636   1.839  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.467  -5.267   1.282  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.311  -6.039   0.170  1.00  0.00           H  
HETATM   71  H   UNL     1       9.016  -4.734  -3.113  1.00  0.00           H  
HETATM   72  H   UNL     1       9.438   0.136  -2.373  1.00  0.00           H  
HETATM   73  H   UNL     1       9.899   0.360  -0.668  1.00  0.00           H  
HETATM   74  H   UNL     1       1.204   1.255   0.037  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.535   4.219   1.428  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.688   0.716   1.717  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.454  -1.295  -0.791  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.880  -5.043   2.392  1.00  0.00           H  
HETATM   79  H   UNL     1       2.833   0.543  -0.435  1.00  0.00           H  
HETATM   80  H   UNL     1       5.077  -0.372  -0.860  1.00  0.00           H  
CONECT    1    2   24   44   45                                       
CONECT    2   25    1   46   47                                       
CONECT    3    4   25   48   49                                       
CONECT    4    5    3   50   51                                       
CONECT    5   27    6    4   52                                       
CONECT    6    5   26   53   54                                       
CONECT    7    8    8   27   55                                       
CONECT    8    7    7   28   56                                       
CONECT    9   10   10   13   31                                       
CONECT   10   11    9    9   57                                       
CONECT   11   33   32   32   10                                       
CONECT   12   32   13   13   58                                       
CONECT   13   12   12    9                                            
CONECT   14   37   37   34   33                                       
CONECT   15   40   36   36   35                                       
CONECT   16   17   38   59   60                                       
CONECT   17   16   39   61   62                                       
CONECT   18   39   63   64   65                                       
CONECT   19   40   20   20   66                                       
CONECT   20   19   19   35   67                                       
CONECT   21   41   23   23   40                                       
CONECT   22   41   68   69   70                                       
CONECT   23   21   21                                                 
CONECT   24    1   71                                                 
CONECT   25   26    3    2                                            
CONECT   26    6   25   72   73                                       
CONECT   27    7    5   43   43                                       
CONECT   28    8   29   42   42                                       
CONECT   29   30   30   31   28                                       
CONECT   30   29   29                                                 
CONECT   31    9   29   74                                            
CONECT   32   11   11   12   75                                       
CONECT   33   14   11                                                 
CONECT   34   35   35   14   76                                       
CONECT   35   15   20   34   34                                       
CONECT   36   15   15   37   77                                       
CONECT   37   36   38   14   14                                       
CONECT   38   16   37                                                 
CONECT   39   17   18                                                 
CONECT   40   21   15   19                                            
CONECT   41   22   21   78                                            
CONECT   42   28   28   43   79                                       
CONECT   43   27   27   42   80                                       
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57   10                                                      
CONECT   58   12                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   24                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   34                                                      
CONECT   77   36                                                      
CONECT   78   41                                                      
CONECT   79   42                                                      
CONECT   80   43                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
