COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.359  -3.474   1.999  1.00  0.00           C  
HETATM    2  N   UNL     1     -10.138  -2.368   0.925  1.00  0.00           N  
HETATM    3  O   UNL     1      -7.598  -1.904  -2.346  1.00  0.00           O  
HETATM    4  C   UNL     1      -7.502  -3.126   0.970  1.00  0.00           C  
HETATM    5  N   UNL     1      -5.845  -1.693  -1.000  1.00  0.00           N  
HETATM    6  O   UNL     1       6.446  -1.193  -0.314  1.00  0.00           O  
HETATM    7  C   UNL     1      -8.015  -2.376  -0.095  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.872   1.168  -0.251  1.00  0.00           N  
HETATM    9  O   UNL     1       1.464   6.956  -0.070  1.00  0.00           O  
HETATM   10  C   UNL     1      -9.361  -2.012  -0.077  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.472   2.432  -0.200  1.00  0.00           N  
HETATM   12  C   UNL     1      -9.682  -3.074   1.943  1.00  0.00           C  
HETATM   13  N   UNL     1       0.979   2.246   0.411  1.00  0.00           N  
HETATM   14  C   UNL     1      -7.143  -1.977  -1.221  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.495   0.492   0.013  1.00  0.00           N  
HETATM   16  C   UNL     1      -5.305  -1.672   0.366  1.00  0.00           C  
HETATM   17  N   UNL     1       5.018  -2.714   0.449  1.00  0.00           N  
HETATM   18  C   UNL     1      -4.609  -0.328   0.601  1.00  0.00           C  
HETATM   19  N   UNL     1       7.300  -3.165   0.247  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.562  -0.102  -0.491  1.00  0.00           C  
HETATM   21  N   UNL     1      11.143  -1.866  -0.527  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.249  -0.058  -1.858  1.00  0.00           C  
HETATM   23  N   UNL     1       0.278   4.488   0.553  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.940  -1.405  -2.121  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.533   1.323  -0.045  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.311   2.703   0.136  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.566   3.339   0.031  1.00  0.00           C  
HETATM   28  C   UNL     1       0.006   3.146   0.370  1.00  0.00           C  
HETATM   29  C   UNL     1       0.726   0.952   0.236  1.00  0.00           C  
HETATM   30  C   UNL     1       1.852  -0.010   0.292  1.00  0.00           C  
HETATM   31  C   UNL     1       1.616  -1.373   0.111  1.00  0.00           C  
HETATM   32  C   UNL     1       2.665  -2.265   0.164  1.00  0.00           C  
HETATM   33  C   UNL     1       3.957  -1.808   0.396  1.00  0.00           C  
HETATM   34  C   UNL     1       4.194  -0.450   0.577  1.00  0.00           C  
HETATM   35  C   UNL     1       3.150   0.447   0.519  1.00  0.00           C  
HETATM   36  C   UNL     1       6.261  -2.317   0.112  1.00  0.00           C  
HETATM   37  C   UNL     1       8.598  -2.726  -0.014  1.00  0.00           C  
HETATM   38  C   UNL     1       9.691  -3.297   0.636  1.00  0.00           C  
HETATM   39  C   UNL     1      10.958  -2.835   0.350  1.00  0.00           C  
HETATM   40  C   UNL     1      10.134  -1.299  -1.163  1.00  0.00           C  
HETATM   41  C   UNL     1       8.836  -1.705  -0.933  1.00  0.00           C  
HETATM   42  C   UNL     1       1.713   4.709   0.780  1.00  0.00           C  
HETATM   43  C   UNL     1       1.961   6.198   1.036  1.00  0.00           C  
HETATM   44  C   UNL     1       0.069   6.765  -0.319  1.00  0.00           C  
HETATM   45  C   UNL     1      -0.198   5.282  -0.589  1.00  0.00           C  
HETATM   46  H   UNL     1      -8.000  -4.056   2.835  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.465  -3.425   0.989  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.771  -1.434  -0.892  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.354  -3.344   2.744  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.118  -1.793   1.082  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.585  -2.482   0.488  1.00  0.00           H  
HETATM   52  H   UNL     1       4.861  -3.630   0.728  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.347   0.474   0.570  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.122  -0.336   1.576  1.00  0.00           H  
HETATM   55  H   UNL     1       7.145  -4.081   0.526  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.839  -0.918  -0.475  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.991   0.741  -1.867  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.506   0.126  -2.634  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.191  -2.193  -2.199  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.512  -1.349  -3.047  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.745   4.400   0.121  1.00  0.00           H  
HETATM   62  H   UNL     1       0.612  -1.729  -0.069  1.00  0.00           H  
HETATM   63  H   UNL     1       2.483  -3.320   0.024  1.00  0.00           H  
HETATM   64  H   UNL     1       5.199  -0.097   0.758  1.00  0.00           H  
HETATM   65  H   UNL     1       3.336   1.502   0.654  1.00  0.00           H  
HETATM   66  H   UNL     1       9.547  -4.091   1.355  1.00  0.00           H  
HETATM   67  H   UNL     1      11.811  -3.271   0.849  1.00  0.00           H  
HETATM   68  H   UNL     1      10.328  -0.509  -1.873  1.00  0.00           H  
HETATM   69  H   UNL     1       8.016  -1.237  -1.457  1.00  0.00           H  
HETATM   70  H   UNL     1       2.038   4.132   1.646  1.00  0.00           H  
HETATM   71  H   UNL     1       2.273   4.393  -0.100  1.00  0.00           H  
HETATM   72  H   UNL     1       3.030   6.375   1.149  1.00  0.00           H  
HETATM   73  H   UNL     1       1.443   6.501   1.947  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.503   7.085   0.552  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.229   7.353  -1.188  1.00  0.00           H  
HETATM   76  H   UNL     1       0.332   4.975  -1.491  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.268   5.123  -0.723  1.00  0.00           H  
CONECT    1    4    4   12   46                                       
CONECT    2   10   12   12                                            
CONECT    3   14   14                                                 
CONECT    4    1    1    7   47                                       
CONECT    5   14   16   24                                            
CONECT    6   36   36                                                 
CONECT    7    4   10   10   14                                       
CONECT    8   11   20   25                                            
CONECT    9   43   44                                                 
CONECT   10    2    7    7   48                                       
CONECT   11    8   27   27                                            
CONECT   12    1    2    2   49                                       
CONECT   13   28   28   29                                            
CONECT   14    3    3    5    7                                       
CONECT   15   25   29   29                                            
CONECT   16    5   18   50   51                                       
CONECT   17   33   36   52                                            
CONECT   18   16   20   53   54                                       
CONECT   19   36   37   55                                            
CONECT   20    8   18   22   56                                       
CONECT   21   39   39   40                                            
CONECT   22   20   24   57   58                                       
CONECT   23   28   42   45                                            
CONECT   24    5   22   59   60                                       
CONECT   25    8   15   26   26                                       
CONECT   26   25   25   27   28                                       
CONECT   27   11   11   26   61                                       
CONECT   28   13   13   23   26                                       
CONECT   29   13   15   15   30                                       
CONECT   30   29   31   31   35                                       
CONECT   31   30   30   32   62                                       
CONECT   32   31   33   33   63                                       
CONECT   33   17   32   32   34                                       
CONECT   34   33   35   35   64                                       
CONECT   35   30   34   34   65                                       
CONECT   36    6    6   17   19                                       
CONECT   37   19   38   38   41                                       
CONECT   38   37   37   39   66                                       
CONECT   39   21   21   38   67                                       
CONECT   40   21   41   41   68                                       
CONECT   41   37   40   40   69                                       
CONECT   42   23   43   70   71                                       
CONECT   43    9   42   72   73                                       
CONECT   44    9   45   74   75                                       
CONECT   45   23   44   76   77                                       
CONECT   46    1                                                      
CONECT   47    4                                                      
CONECT   48   10                                                      
CONECT   49   12                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   27                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   38                                                      
CONECT   67   39                                                      
CONECT   68   40                                                      
CONECT   69   41                                                      
CONECT   70   42                                                      
CONECT   71   42                                                      
CONECT   72   43                                                      
CONECT   73   43                                                      
CONECT   74   44                                                      
CONECT   75   44                                                      
CONECT   76   45                                                      
CONECT   77   45                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
