COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.172  -3.966  -0.649  1.00  0.00           C  
HETATM    2  N   UNL     1      -7.614   5.462  -0.783  1.00  0.00           N  
HETATM    3  C   UNL     1      -7.676   5.111   0.488  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.309  -5.032  -0.097  1.00  0.00           O  
HETATM    5  C   UNL     1       1.124  -3.639  -1.345  1.00  0.00           C  
HETATM    6  N   UNL     1      -7.178   3.977   0.934  1.00  0.00           N  
HETATM    7  C   UNL     1      -6.582   3.127   0.105  1.00  0.00           C  
HETATM    8  N   UNL     1       1.851  -4.882  -1.635  1.00  0.00           N  
HETATM    9  C   UNL     1      -6.489   3.454  -1.258  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.036   4.676  -1.686  1.00  0.00           C  
HETATM   11  N   UNL     1      -6.976   5.051  -3.017  1.00  0.00           N  
HETATM   12  C   UNL     1       1.977  -2.747  -0.442  1.00  0.00           C  
HETATM   13  N   UNL     1      -5.845   2.432  -1.871  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.544   1.521  -0.992  1.00  0.00           C  
HETATM   15  C   UNL     1       3.236  -2.313  -1.196  1.00  0.00           C  
HETATM   16  N   UNL     1      -5.977   1.903   0.243  1.00  0.00           N  
HETATM   17  P   UNL     1      -2.530  -3.501   0.114  1.00  0.00           P  
HETATM   18  C   UNL     1      -5.825   1.146   1.488  1.00  0.00           C  
HETATM   19  C   UNL     1       4.090  -1.421  -0.293  1.00  0.00           C  
HETATM   20  C   UNL     1       5.348  -0.988  -1.047  1.00  0.00           C  
HETATM   21  N   UNL     1       6.166  -0.133  -0.182  1.00  0.00           N  
HETATM   22  O   UNL     1      -2.213  -3.887   1.508  1.00  0.00           O  
HETATM   23  C   UNL     1      -7.137   0.408   1.832  1.00  0.00           C  
HETATM   24  O   UNL     1      -7.316   0.339   3.248  1.00  0.00           O  
HETATM   25  C   UNL     1       7.330   0.370  -0.638  1.00  0.00           C  
HETATM   26  O   UNL     1       7.702   0.115  -1.767  1.00  0.00           O  
HETATM   27  O   UNL     1       8.082   1.155   0.157  1.00  0.00           O  
HETATM   28  C   UNL     1       9.323   1.662  -0.400  1.00  0.00           C  
HETATM   29  C   UNL     1      10.034   2.527   0.642  1.00  0.00           C  
HETATM   30  C   UNL     1      10.498   1.664   1.841  1.00  0.00           C  
HETATM   31  C   UNL     1      12.052   1.826   1.834  1.00  0.00           C  
HETATM   32  C   UNL     1      12.493   1.134   0.538  1.00  0.00           C  
HETATM   33  O   UNL     1      -3.202  -4.750  -0.648  1.00  0.00           O  
HETATM   34  C   UNL     1      -6.938  -1.006   1.242  1.00  0.00           C  
HETATM   35  O   UNL     1      -7.924  -1.275   0.243  1.00  0.00           O  
HETATM   36  C   UNL     1      12.098   1.868  -0.482  1.00  0.00           C  
HETATM   37  C   UNL     1      11.366   3.101   0.062  1.00  0.00           C  
HETATM   38  C   UNL     1      12.178   3.329   1.390  1.00  0.00           C  
HETATM   39  O   UNL     1      -1.176  -3.075  -0.645  1.00  0.00           O  
HETATM   40  C   UNL     1      -5.529  -0.955   0.611  1.00  0.00           C  
HETATM   41  O   UNL     1      -4.844   0.099   1.323  1.00  0.00           O  
HETATM   42  C   UNL     1      -4.807  -2.289   0.810  1.00  0.00           C  
HETATM   43  O   UNL     1      -3.555  -2.260   0.120  1.00  0.00           O  
HETATM   44  H   UNL     1      -8.154   5.780   1.189  1.00  0.00           H  
HETATM   45  H   UNL     1       0.913  -3.116  -2.278  1.00  0.00           H  
HETATM   46  H   UNL     1       2.059  -5.386  -0.786  1.00  0.00           H  
HETATM   47  H   UNL     1       1.336  -5.460  -2.282  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.357   5.897  -3.300  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.552   4.469  -3.666  1.00  0.00           H  
HETATM   50  H   UNL     1       1.404  -1.866  -0.155  1.00  0.00           H  
HETATM   51  H   UNL     1       2.263  -3.302   0.452  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.027   0.598  -1.209  1.00  0.00           H  
HETATM   53  H   UNL     1       3.809  -3.195  -1.483  1.00  0.00           H  
HETATM   54  H   UNL     1       2.951  -1.758  -2.090  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.538   1.811   2.303  1.00  0.00           H  
HETATM   56  H   UNL     1       3.516  -0.540  -0.006  1.00  0.00           H  
HETATM   57  H   UNL     1       4.375  -1.976   0.601  1.00  0.00           H  
HETATM   58  H   UNL     1       5.922  -1.869  -1.334  1.00  0.00           H  
HETATM   59  H   UNL     1       5.063  -0.433  -1.941  1.00  0.00           H  
HETATM   60  H   UNL     1       5.870   0.070   0.719  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.988   0.903   1.364  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.125  -0.115   3.521  1.00  0.00           H  
HETATM   63  H   UNL     1       9.965   0.825  -0.677  1.00  0.00           H  
HETATM   64  H   UNL     1       9.106   2.262  -1.284  1.00  0.00           H  
HETATM   65  H   UNL     1       9.382   3.332   0.979  1.00  0.00           H  
HETATM   66  H   UNL     1      10.078   2.044   2.772  1.00  0.00           H  
HETATM   67  H   UNL     1      10.221   0.620   1.692  1.00  0.00           H  
HETATM   68  H   UNL     1      12.573   1.527   2.743  1.00  0.00           H  
HETATM   69  H   UNL     1      13.035   0.202   0.473  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.978  -1.758   2.030  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.833  -1.260   0.574  1.00  0.00           H  
HETATM   72  H   UNL     1      12.262   1.641  -1.525  1.00  0.00           H  
HETATM   73  H   UNL     1      11.271   3.947  -0.618  1.00  0.00           H  
HETATM   74  H   UNL     1      11.674   4.011   2.075  1.00  0.00           H  
HETATM   75  H   UNL     1      13.210   3.624   1.202  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.597  -0.714  -0.450  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.632  -2.452   1.873  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.421  -3.097   0.414  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.437  -4.569  -1.569  1.00  0.00           H  
CONECT    1    4    4    5   39                                       
CONECT    2    3    3   10                                            
CONECT    3    2    2    6   44                                       
CONECT    4    1    1                                                 
CONECT    5    1    8   12   45                                       
CONECT    6    3    7    7                                            
CONECT    7    6    6    9   16                                       
CONECT    8    5   46   47                                            
CONECT    9    7   10   10   13                                       
CONECT   10    2    9    9   11                                       
CONECT   11   10   48   49                                            
CONECT   12    5   15   50   51                                       
CONECT   13    9   14   14                                            
CONECT   14   13   13   16   52                                       
CONECT   15   12   19   53   54                                       
CONECT   16    7   14   18                                            
CONECT   17   22   22   33   39                                       
CONECT   17   43                                                      
CONECT   18   16   23   41   55                                       
CONECT   19   15   20   56   57                                       
CONECT   20   19   21   58   59                                       
CONECT   21   20   25   60                                            
CONECT   22   17   17                                                 
CONECT   23   18   24   34   61                                       
CONECT   24   23   62                                                 
CONECT   25   21   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28                                                 
CONECT   28   27   29   63   64                                       
CONECT   29   28   30   37   65                                       
CONECT   30   29   31   66   67                                       
CONECT   31   30   32   38   68                                       
CONECT   32   31   36   36   69                                       
CONECT   33   17   79                                                 
CONECT   34   23   35   40   70                                       
CONECT   35   34   71                                                 
CONECT   36   32   32   37   72                                       
CONECT   37   29   36   38   73                                       
CONECT   38   31   37   74   75                                       
CONECT   39    1   17                                                 
CONECT   40   34   41   42   76                                       
CONECT   41   18   40                                                 
CONECT   42   40   43   77   78                                       
CONECT   43   17   42                                                 
CONECT   44    3                                                      
CONECT   45    5                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   38                                                      
CONECT   76   40                                                      
CONECT   77   42                                                      
CONECT   78   42                                                      
CONECT   79   33                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
