COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.086  -2.665  -1.266  1.00  0.00           O  
HETATM    2  C   UNL     1       3.753  -3.179  -0.217  1.00  0.00           C  
HETATM    3  C   UNL     1       4.219  -2.609   1.064  1.00  0.00           C  
HETATM    4  C   UNL     1       4.296  -1.225   1.230  1.00  0.00           C  
HETATM    5  C   UNL     1       3.904  -0.307   0.101  1.00  0.00           C  
HETATM    6  C   UNL     1       2.859   0.660   0.589  1.00  0.00           C  
HETATM    7  C   UNL     1       1.552   0.226   0.733  1.00  0.00           C  
HETATM    8  C   UNL     1       0.575   1.093   1.181  1.00  0.00           C  
HETATM    9  C   UNL     1       0.903   2.408   1.489  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.083   3.287   1.943  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.464   2.824   2.095  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.665   2.274   3.508  1.00  0.00           C  
HETATM   13  C   UNL     1       0.265   4.673   2.267  1.00  0.00           C  
HETATM   14  C   UNL     1       0.105   5.544   1.019  1.00  0.00           C  
HETATM   15  C   UNL     1       2.211   2.845   1.345  1.00  0.00           C  
HETATM   16  C   UNL     1       3.192   1.970   0.894  1.00  0.00           C  
HETATM   17  O   UNL     1       4.464   2.416   0.762  1.00  0.00           O  
HETATM   18  C   UNL     1       5.339   1.753  -0.030  1.00  0.00           C  
HETATM   19  C   UNL     1       6.472   2.414  -0.489  1.00  0.00           C  
HETATM   20  C   UNL     1       7.382   1.753  -1.300  1.00  0.00           C  
HETATM   21  N   UNL     1       8.521   2.417  -1.761  1.00  0.00           N  
HETATM   22  C   UNL     1       8.755   3.815  -1.388  1.00  0.00           C  
HETATM   23  C   UNL     1       9.562   3.868  -0.090  1.00  0.00           C  
HETATM   24  C   UNL     1       9.481   1.717  -2.617  1.00  0.00           C  
HETATM   25  C   UNL     1       9.090   1.906  -4.084  1.00  0.00           C  
HETATM   26  C   UNL     1       7.159   0.427  -1.652  1.00  0.00           C  
HETATM   27  C   UNL     1       6.033  -0.227  -1.194  1.00  0.00           C  
HETATM   28  C   UNL     1       5.122   0.431  -0.385  1.00  0.00           C  
HETATM   29  C   UNL     1       4.732  -0.701   2.429  1.00  0.00           C  
HETATM   30  C   UNL     1       5.093  -1.542   3.466  1.00  0.00           C  
HETATM   31  C   UNL     1       5.019  -2.915   3.308  1.00  0.00           C  
HETATM   32  C   UNL     1       4.579  -3.453   2.117  1.00  0.00           C  
HETATM   33  O   UNL     1       2.956  -4.264  -0.221  1.00  0.00           O  
HETATM   34  C   UNL     1       2.532  -4.766  -1.516  1.00  0.00           C  
HETATM   35  C   UNL     1       1.639  -5.992  -1.321  1.00  0.00           C  
HETATM   36  O   UNL     1       0.436  -5.605  -0.654  1.00  0.00           O  
HETATM   37  C   UNL     1      -0.473  -6.683  -0.421  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.717  -6.155   0.296  1.00  0.00           C  
HETATM   39  O   UNL     1      -2.415  -5.251  -0.565  1.00  0.00           O  
HETATM   40  C   UNL     1      -3.599  -4.698   0.011  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.260  -3.751  -0.993  1.00  0.00           C  
HETATM   42  N   UNL     1      -5.475  -3.183  -0.402  1.00  0.00           N  
HETATM   43  C   UNL     1      -5.756  -1.865  -0.280  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.969  -1.792   0.316  1.00  0.00           C  
HETATM   45  N   UNL     1      -7.365  -3.053   0.527  1.00  0.00           N  
HETATM   46  N   UNL     1      -6.460  -3.853   0.085  1.00  0.00           N  
HETATM   47  C   UNL     1      -7.722  -0.538   0.677  1.00  0.00           C  
HETATM   48  O   UNL     1      -6.959   0.605   0.285  1.00  0.00           O  
HETATM   49  C   UNL     1      -7.587   1.853   0.585  1.00  0.00           C  
HETATM   50  O   UNL     1      -8.784   1.981  -0.185  1.00  0.00           O  
HETATM   51  C   UNL     1      -8.580   1.917  -1.598  1.00  0.00           C  
HETATM   52  C   UNL     1      -9.926   2.036  -2.314  1.00  0.00           C  
HETATM   53  C   UNL     1      -7.667   3.066  -2.032  1.00  0.00           C  
HETATM   54  O   UNL     1      -8.301   4.314  -1.746  1.00  0.00           O  
HETATM   55  C   UNL     1      -6.344   2.975  -1.266  1.00  0.00           C  
HETATM   56  O   UNL     1      -5.514   4.086  -1.612  1.00  0.00           O  
HETATM   57  C   UNL     1      -6.634   3.000   0.238  1.00  0.00           C  
HETATM   58  O   UNL     1      -5.413   2.843   0.963  1.00  0.00           O  
HETATM   59  H   UNL     1       1.295  -0.795   0.494  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.443   0.749   1.292  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.147   3.657   1.928  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.666   2.037   1.367  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.693   1.929   3.622  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.982   1.441   3.675  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.463   3.060   4.236  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.397   5.039   3.052  1.00  0.00           H  
HETATM   67  H   UNL     1       1.298   4.718   2.611  1.00  0.00           H  
HETATM   68  H   UNL     1       0.364   6.575   1.260  1.00  0.00           H  
HETATM   69  H   UNL     1       0.766   5.177   0.233  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.928   5.499   0.674  1.00  0.00           H  
HETATM   71  H   UNL     1       2.468   3.866   1.583  1.00  0.00           H  
HETATM   72  H   UNL     1       6.643   3.444  -0.215  1.00  0.00           H  
HETATM   73  H   UNL     1       9.310   4.314  -2.182  1.00  0.00           H  
HETATM   74  H   UNL     1       7.798   4.317  -1.242  1.00  0.00           H  
HETATM   75  H   UNL     1       9.736   4.908   0.187  1.00  0.00           H  
HETATM   76  H   UNL     1       9.007   3.368   0.704  1.00  0.00           H  
HETATM   77  H   UNL     1      10.518   3.366  -0.236  1.00  0.00           H  
HETATM   78  H   UNL     1      10.479   2.124  -2.452  1.00  0.00           H  
HETATM   79  H   UNL     1       9.477   0.654  -2.374  1.00  0.00           H  
HETATM   80  H   UNL     1       8.092   1.500  -4.249  1.00  0.00           H  
HETATM   81  H   UNL     1       9.094   2.969  -4.327  1.00  0.00           H  
HETATM   82  H   UNL     1       9.804   1.385  -4.721  1.00  0.00           H  
HETATM   83  H   UNL     1       7.865  -0.091  -2.283  1.00  0.00           H  
HETATM   84  H   UNL     1       5.861  -1.257  -1.469  1.00  0.00           H  
HETATM   85  H   UNL     1       4.792   0.370   2.558  1.00  0.00           H  
HETATM   86  H   UNL     1       5.434  -1.126   4.402  1.00  0.00           H  
HETATM   87  H   UNL     1       5.302  -3.567   4.122  1.00  0.00           H  
HETATM   88  H   UNL     1       4.521  -4.525   1.996  1.00  0.00           H  
HETATM   89  H   UNL     1       1.974  -3.990  -2.041  1.00  0.00           H  
HETATM   90  H   UNL     1       3.407  -5.043  -2.103  1.00  0.00           H  
HETATM   91  H   UNL     1       1.393  -6.421  -2.293  1.00  0.00           H  
HETATM   92  H   UNL     1       2.166  -6.733  -0.720  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.762  -7.126  -1.373  1.00  0.00           H  
HETATM   94  H   UNL     1       0.010  -7.438   0.199  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.370  -6.989   0.552  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.419  -5.633   1.205  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.291  -5.502   0.262  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.341  -4.146   0.915  1.00  0.00           H  
HETATM   99  H   UNL     1      -3.568  -2.947  -1.243  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.519  -4.302  -1.896  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.137  -1.038  -0.595  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.682  -0.529   0.160  1.00  0.00           H  
HETATM  103  H   UNL     1      -7.889  -0.512   1.754  1.00  0.00           H  
HETATM  104  H   UNL     1      -7.831   1.892   1.646  1.00  0.00           H  
HETATM  105  H   UNL     1      -8.114   0.965  -1.854  1.00  0.00           H  
HETATM  106  H   UNL     1     -10.392   2.987  -2.058  1.00  0.00           H  
HETATM  107  H   UNL     1      -9.770   1.986  -3.392  1.00  0.00           H  
HETATM  108  H   UNL     1     -10.576   1.218  -2.004  1.00  0.00           H  
HETATM  109  H   UNL     1      -7.474   2.993  -3.103  1.00  0.00           H  
HETATM  110  H   UNL     1      -9.148   4.438  -2.195  1.00  0.00           H  
HETATM  111  H   UNL     1      -5.836   2.046  -1.525  1.00  0.00           H  
HETATM  112  H   UNL     1      -4.657   4.092  -1.162  1.00  0.00           H  
HETATM  113  H   UNL     1      -7.097   3.951   0.503  1.00  0.00           H  
HETATM  114  H   UNL     1      -5.523   2.845   1.923  1.00  0.00           H  
HETATM  115  H   UNL     1       3.493  -0.898  -0.717  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3   33    1    1                                       
CONECT    3    4    4   32    2                                       
CONECT    4   29    5    3    3                                       
CONECT    5    4    6   28  115                                       
CONECT    6    5    7   16   16                                       
CONECT    7    6    8    8   59                                       
CONECT    8    7    7    9   60                                       
CONECT    9    8   15   15   10                                       
CONECT   10   13    9   11                                            
CONECT   11   10   12   61   62                                       
CONECT   12   11   63   64   65                                       
CONECT   13   10   14   66   67                                       
CONECT   14   13   68   69   70                                       
CONECT   15   16    9    9   71                                       
CONECT   16    6    6   17   15                                       
CONECT   17   16   18                                                 
CONECT   18   28   28   17   19                                       
CONECT   19   18   20   20   72                                       
CONECT   20   26   21   19   19                                       
CONECT   21   22   20   24                                            
CONECT   22   23   21   73   74                                       
CONECT   23   22   75   76   77                                       
CONECT   24   21   25   78   79                                       
CONECT   25   24   80   81   82                                       
CONECT   26   27   27   20   83                                       
CONECT   27   28   26   26   84                                       
CONECT   28    5   27   18   18                                       
CONECT   29   30   30    4   85                                       
CONECT   30   29   29   31   86                                       
CONECT   31   30   32   32   87                                       
CONECT   32   31   31    3   88                                       
CONECT   33   34    2                                                 
CONECT   34   35   33   89   90                                       
CONECT   35   34   36   91   92                                       
CONECT   36   35   37                                                 
CONECT   37   36   38   93   94                                       
CONECT   38   37   39   95   96                                       
CONECT   39   38   40                                                 
CONECT   40   39   41   97   98                                       
CONECT   41   40   42   99  100                                       
CONECT   42   43   46   41                                            
CONECT   43   44   44   42  101                                       
CONECT   44   47   45   43   43                                       
CONECT   45   44   46   46                                            
CONECT   46   45   45   42                                            
CONECT   47   44   48  102  103                                       
CONECT   48   47   49                                                 
CONECT   49   48   50   57  104                                       
CONECT   50   49   51                                                 
CONECT   51   50   52   53  105                                       
CONECT   52   51  106  107  108                                       
CONECT   53   51   55   54  109                                       
CONECT   54   53  110                                                 
CONECT   55   57   53   56  111                                       
CONECT   56   55  112                                                 
CONECT   57   49   58   55  113                                       
CONECT   58   57  114                                                 
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61   11                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   12                                                      
CONECT   65   12                                                      
CONECT   66   13                                                      
CONECT   67   13                                                      
CONECT   68   14                                                      
CONECT   69   14                                                      
CONECT   70   14                                                      
CONECT   71   15                                                      
CONECT   72   19                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   24                                                      
CONECT   79   24                                                      
CONECT   80   25                                                      
CONECT   81   25                                                      
CONECT   82   25                                                      
CONECT   83   26                                                      
CONECT   84   27                                                      
CONECT   85   29                                                      
CONECT   86   30                                                      
CONECT   87   31                                                      
CONECT   88   32                                                      
CONECT   89   34                                                      
CONECT   90   34                                                      
CONECT   91   35                                                      
CONECT   92   35                                                      
CONECT   93   37                                                      
CONECT   94   37                                                      
CONECT   95   38                                                      
CONECT   96   38                                                      
CONECT   97   40                                                      
CONECT   98   40                                                      
CONECT   99   41                                                      
CONECT  100   41                                                      
CONECT  101   43                                                      
CONECT  102   47                                                      
CONECT  103   47                                                      
CONECT  104   49                                                      
CONECT  105   51                                                      
CONECT  106   52                                                      
CONECT  107   52                                                      
CONECT  108   52                                                      
CONECT  109   53                                                      
CONECT  110   54                                                      
CONECT  111   55                                                      
CONECT  112   56                                                      
CONECT  113   57                                                      
CONECT  114   58                                                      
CONECT  115    5                                                      
MASTER        0    0    0    0    0    0    0    0  115    0  115    0
END
