COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.374   0.192  -0.199  1.00  0.00           O  
HETATM    2  C   UNL     1       4.002   1.142  -0.856  1.00  0.00           C  
HETATM    3  N   UNL     1       4.885   2.090  -1.229  1.00  0.00           N  
HETATM    4  C   UNL     1       6.210   2.029  -0.779  1.00  0.00           C  
HETATM    5  C   UNL     1       6.827   0.804  -0.619  1.00  0.00           C  
HETATM    6  C   UNL     1       8.148   0.752  -0.170  1.00  0.00           C  
HETATM    7  C   UNL     1       9.087  -0.341   0.106  1.00  0.00           C  
HETATM    8  C   UNL     1       8.814  -1.789  -0.048  1.00  0.00           C  
HETATM    9  C   UNL     1       9.816  -2.668  -0.470  1.00  0.00           C  
HETATM   10  C   UNL     1       9.519  -4.009  -0.600  1.00  0.00           C  
HETATM   11  N   UNL     1       8.309  -4.463  -0.333  1.00  0.00           N  
HETATM   12  C   UNL     1       7.335  -3.668   0.067  1.00  0.00           C  
HETATM   13  C   UNL     1       7.548  -2.315   0.229  1.00  0.00           C  
HETATM   14  N   UNL     1      10.211   0.197   0.513  1.00  0.00           N  
HETATM   15  N   UNL     1      10.096   1.590   0.531  1.00  0.00           N  
HETATM   16  C   UNL     1       8.836   1.946   0.115  1.00  0.00           C  
HETATM   17  C   UNL     1       8.192   3.169  -0.055  1.00  0.00           C  
HETATM   18  C   UNL     1       6.902   3.207  -0.499  1.00  0.00           C  
HETATM   19  C   UNL     1       2.555   1.259  -1.259  1.00  0.00           C  
HETATM   20  C   UNL     1       1.913   2.501  -0.600  1.00  0.00           C  
HETATM   21  C   UNL     1       1.752   0.059  -0.723  1.00  0.00           C  
HETATM   22  N   UNL     1       0.737   0.598   0.209  1.00  0.00           N  
HETATM   23  C   UNL     1       0.497   2.000  -0.220  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.501  -0.190   0.152  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.414   0.227   1.275  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.068   1.095   2.048  1.00  0.00           O  
HETATM   27  N   UNL     1      -2.617  -0.364   1.422  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.523   0.028   2.511  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.901   0.330   1.913  1.00  0.00           C  
HETATM   30  N   UNL     1      -5.349  -0.820   1.117  1.00  0.00           N  
HETATM   31  C   UNL     1      -4.453  -1.059  -0.023  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.059  -1.414   0.492  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.665  -0.651   0.690  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.362   0.503   1.032  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.663   0.673   0.612  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.281  -0.313  -0.157  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.580  -1.470  -0.499  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.277  -1.633  -0.081  1.00  0.00           C  
HETATM   39  C   UNL     1     -10.680  -0.133  -0.610  1.00  0.00           C  
HETATM   40  N   UNL     1     -11.252  -1.082  -1.341  1.00  0.00           N  
HETATM   41  C   UNL     1     -12.498  -0.952  -1.761  1.00  0.00           C  
HETATM   42  C   UNL     1     -13.209   0.192  -1.429  1.00  0.00           C  
HETATM   43  C   UNL     1     -12.581   1.164  -0.664  1.00  0.00           C  
HETATM   44  N   UNL     1     -11.334   0.970  -0.271  1.00  0.00           N  
HETATM   45  H   UNL     1       4.602   2.813  -1.810  1.00  0.00           H  
HETATM   46  H   UNL     1       6.291  -0.108  -0.840  1.00  0.00           H  
HETATM   47  H   UNL     1      10.808  -2.303  -0.691  1.00  0.00           H  
HETATM   48  H   UNL     1      10.286  -4.695  -0.926  1.00  0.00           H  
HETATM   49  H   UNL     1       6.360  -4.083   0.275  1.00  0.00           H  
HETATM   50  H   UNL     1       6.746  -1.670   0.558  1.00  0.00           H  
HETATM   51  H   UNL     1      10.795   2.208   0.796  1.00  0.00           H  
HETATM   52  H   UNL     1       8.715   4.089   0.163  1.00  0.00           H  
HETATM   53  H   UNL     1       6.411   4.160  -0.632  1.00  0.00           H  
HETATM   54  H   UNL     1       2.469   1.317  -2.344  1.00  0.00           H  
HETATM   55  H   UNL     1       2.469   2.797   0.289  1.00  0.00           H  
HETATM   56  H   UNL     1       1.852   3.326  -1.310  1.00  0.00           H  
HETATM   57  H   UNL     1       1.261  -0.458  -1.547  1.00  0.00           H  
HETATM   58  H   UNL     1       2.415  -0.625  -0.194  1.00  0.00           H  
HETATM   59  H   UNL     1       0.088   2.588   0.601  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.166   2.029  -1.084  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.998  -0.017  -0.803  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.263  -1.249   0.251  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.607  -0.788   3.230  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.136   0.918   3.008  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.614   0.515   2.717  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.835   1.212   1.276  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.841  -1.882  -0.624  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.394  -0.159  -0.635  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.365  -1.480  -0.346  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.095  -2.369   1.018  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.884   1.266   1.628  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.205   1.569   0.877  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.056  -2.235  -1.094  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.732  -2.526  -0.348  1.00  0.00           H  
HETATM   75  H   UNL     1     -12.958  -1.727  -2.356  1.00  0.00           H  
HETATM   76  H   UNL     1     -14.229   0.323  -1.759  1.00  0.00           H  
HETATM   77  H   UNL     1     -13.107   2.066  -0.388  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3   19    1    1                                       
CONECT    3    4    2   45                                            
CONECT    4    5    3   18   18                                       
CONECT    5    6    6    4   46                                       
CONECT    6    7    5    5   16                                       
CONECT    7    8   14   14    6                                       
CONECT    8   13   13    9    7                                       
CONECT    9   10   10    8   47                                       
CONECT   10   11    9    9   48                                       
CONECT   11   12   12   10                                            
CONECT   12   11   11   13   49                                       
CONECT   13   12    8    8   50                                       
CONECT   14    7    7   15                                            
CONECT   15   14   16   51                                            
CONECT   16    6   15   17   17                                       
CONECT   17   16   16   18   52                                       
CONECT   18    4    4   17   53                                       
CONECT   19   21    2   20   54                                       
CONECT   20   19   23   55   56                                       
CONECT   21   19   22   57   58                                       
CONECT   22   21   24   23                                            
CONECT   23   20   22   59   60                                       
CONECT   24   22   25   61   62                                       
CONECT   25   24   27   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   32   25   28                                            
CONECT   28   27   29   63   64                                       
CONECT   29   30   28   65   66                                       
CONECT   30   31   33   29                                            
CONECT   31   32   30   67   68                                       
CONECT   32   31   27   69   70                                       
CONECT   33   34   30   38   38                                       
CONECT   34   35   35   33   71                                       
CONECT   35   34   34   36   72                                       
CONECT   36   35   39   37   37                                       
CONECT   37   36   36   38   73                                       
CONECT   38   33   33   37   74                                       
CONECT   39   44   36   40   40                                       
CONECT   40   39   39   41                                            
CONECT   41   42   42   40   75                                       
CONECT   42   43   41   41   76                                       
CONECT   43   44   44   42   77                                       
CONECT   44   43   43   39                                            
CONECT   45    3                                                      
CONECT   46    5                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   15                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   29                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   41                                                      
CONECT   76   42                                                      
CONECT   77   43                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
