COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       5.506   3.080  -0.854  1.00  0.00           P  
HETATM    2  O   UNL     1       6.216   3.162  -2.296  1.00  0.00           O  
HETATM    3  O   UNL     1       5.532   4.415  -0.214  1.00  0.00           O  
HETATM    4  O   UNL     1       6.294   2.026   0.073  1.00  0.00           O  
HETATM    5  C   UNL     1       7.642   2.224   0.504  1.00  0.00           C  
HETATM    6  C   UNL     1       8.082   1.038   1.365  1.00  0.00           C  
HETATM    7  O   UNL     1       8.146  -0.152   0.562  1.00  0.00           O  
HETATM    8  C   UNL     1       9.496   1.291   1.923  1.00  0.00           C  
HETATM    9  O   UNL     1       9.476   1.294   3.352  1.00  0.00           O  
HETATM   10  C   UNL     1      10.331   0.100   1.395  1.00  0.00           C  
HETATM   11  O   UNL     1      11.223  -0.384   2.401  1.00  0.00           O  
HETATM   12  C   UNL     1       9.236  -0.949   1.075  1.00  0.00           C  
HETATM   13  N   UNL     1       9.707  -1.894   0.060  1.00  0.00           N  
HETATM   14  C   UNL     1       9.563  -1.766  -1.289  1.00  0.00           C  
HETATM   15  N   UNL     1      10.099  -2.788  -1.892  1.00  0.00           N  
HETATM   16  C   UNL     1      10.619  -3.633  -0.970  1.00  0.00           C  
HETATM   17  C   UNL     1      11.299  -4.861  -1.029  1.00  0.00           C  
HETATM   18  N   UNL     1      11.570  -5.464  -2.245  1.00  0.00           N  
HETATM   19  N   UNL     1      11.677  -5.431   0.111  1.00  0.00           N  
HETATM   20  C   UNL     1      11.424  -4.863   1.276  1.00  0.00           C  
HETATM   21  N   UNL     1      10.790  -3.714   1.379  1.00  0.00           N  
HETATM   22  C   UNL     1      10.378  -3.068   0.293  1.00  0.00           C  
HETATM   23  N   UNL     1      -5.578  -0.640  -1.994  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.775  -1.839  -2.576  1.00  0.00           C  
HETATM   25  O   UNL     1      -5.780  -1.916  -3.789  1.00  0.00           O  
HETATM   26  N   UNL     1      -5.968  -2.954  -1.849  1.00  0.00           N  
HETATM   27  C   UNL     1      -6.254  -2.888  -0.531  1.00  0.00           C  
HETATM   28  O   UNL     1      -6.352  -3.899   0.131  1.00  0.00           O  
HETATM   29  C   UNL     1      -6.447  -1.537   0.100  1.00  0.00           C  
HETATM   30  N   UNL     1      -6.136  -1.563   1.536  1.00  0.00           N  
HETATM   31  C   UNL     1      -5.902  -0.313   2.144  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.864  -0.230   3.527  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.638   0.989   4.141  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.596   1.080   5.644  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.448   2.124   3.374  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.202   3.450   4.045  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.483   2.047   1.995  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.710   0.827   1.367  1.00  0.00           C  
HETATM   39  N   UNL     1      -5.737   0.789  -0.034  1.00  0.00           N  
HETATM   40  C   UNL     1      -5.459  -0.553  -0.543  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.807   1.772  -0.606  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.369   1.362  -0.281  1.00  0.00           C  
HETATM   43  O   UNL     1      -3.185   1.353   1.136  1.00  0.00           O  
HETATM   44  C   UNL     1      -2.399   2.362  -0.914  1.00  0.00           C  
HETATM   45  O   UNL     1      -2.582   2.372  -2.331  1.00  0.00           O  
HETATM   46  C   UNL     1      -0.961   1.953  -0.588  1.00  0.00           C  
HETATM   47  O   UNL     1      -0.777   1.943   0.829  1.00  0.00           O  
HETATM   48  C   UNL     1       0.009   2.953  -1.221  1.00  0.00           C  
HETATM   49  O   UNL     1       1.352   2.508  -1.017  1.00  0.00           O  
HETATM   50  P   UNL     1       2.635   3.319  -1.552  1.00  0.00           P  
HETATM   51  O   UNL     1       2.589   4.708  -1.042  1.00  0.00           O  
HETATM   52  O   UNL     1       2.625   3.338  -3.162  1.00  0.00           O  
HETATM   53  O   UNL     1       3.979   2.601  -1.033  1.00  0.00           O  
HETATM   54  C   UNL     1      -9.536  -1.690   1.662  1.00  0.00           C  
HETATM   55  C   UNL     1     -10.409  -2.590   2.245  1.00  0.00           C  
HETATM   56  C   UNL     1     -10.583  -3.844   1.689  1.00  0.00           C  
HETATM   57  C   UNL     1      -9.884  -4.198   0.550  1.00  0.00           C  
HETATM   58  C   UNL     1      -9.011  -3.298  -0.033  1.00  0.00           C  
HETATM   59  C   UNL     1      -8.837  -2.045   0.523  1.00  0.00           C  
HETATM   60  C   UNL     1      -7.886  -1.064  -0.113  1.00  0.00           C  
HETATM   61  C   UNL     1      -8.176  -0.971  -1.612  1.00  0.00           C  
HETATM   62  C   UNL     1      -9.556  -0.403  -1.823  1.00  0.00           C  
HETATM   63  N   UNL     1     -10.278  -0.085  -0.816  1.00  0.00           N  
HETATM   64  C   UNL     1     -10.086  -0.209  -3.221  1.00  0.00           C  
HETATM   65  C   UNL     1     -11.497   0.377  -3.155  1.00  0.00           C  
HETATM   66  H   UNL     1       6.234   2.321  -2.774  1.00  0.00           H  
HETATM   67  H   UNL     1       8.294   2.302  -0.366  1.00  0.00           H  
HETATM   68  H   UNL     1       7.706   3.141   1.089  1.00  0.00           H  
HETATM   69  H   UNL     1       7.378   0.894   2.185  1.00  0.00           H  
HETATM   70  H   UNL     1       9.891   2.234   1.546  1.00  0.00           H  
HETATM   71  H   UNL     1       8.933  -1.475   1.981  1.00  0.00           H  
HETATM   72  H   UNL     1      10.341   1.449   3.757  1.00  0.00           H  
HETATM   73  H   UNL     1      10.878   0.378   0.494  1.00  0.00           H  
HETATM   74  H   UNL     1      11.871   0.269   2.699  1.00  0.00           H  
HETATM   75  H   UNL     1       9.076  -0.940  -1.785  1.00  0.00           H  
HETATM   76  H   UNL     1      11.289  -5.039  -3.070  1.00  0.00           H  
HETATM   77  H   UNL     1      12.040  -6.312  -2.272  1.00  0.00           H  
HETATM   78  H   UNL     1      11.749  -5.360   2.178  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.512   0.161  -2.537  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.445  -0.829  -0.254  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.899  -3.821  -2.279  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.095  -2.393   2.037  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.017  -0.083   0.343  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.013  -1.116   4.126  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.575   0.922   5.990  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.938   2.066   5.958  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.247   0.317   6.072  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.131   3.590   4.191  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.591   4.252   3.418  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.705   3.467   5.012  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.334   2.938   1.403  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.938   1.810  -1.687  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.010   2.754  -0.180  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.176   0.366  -0.679  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.240   2.227   1.546  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.592   3.358  -0.515  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.427   1.516  -2.753  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.767   0.957  -0.987  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.933   2.799   1.252  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.191   3.026  -2.290  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.124   3.931  -0.759  1.00  0.00           H  
HETATM  102  H   UNL     1       2.654   2.460  -3.566  1.00  0.00           H  
HETATM  103  H   UNL     1      -9.404  -0.709   2.093  1.00  0.00           H  
HETATM  104  H   UNL     1     -10.955  -2.313   3.135  1.00  0.00           H  
HETATM  105  H   UNL     1     -11.264  -4.547   2.145  1.00  0.00           H  
HETATM  106  H   UNL     1     -10.019  -5.178   0.116  1.00  0.00           H  
HETATM  107  H   UNL     1      -8.465  -3.575  -0.922  1.00  0.00           H  
HETATM  108  H   UNL     1      -7.440  -0.322  -2.086  1.00  0.00           H  
HETATM  109  H   UNL     1      -8.121  -1.966  -2.055  1.00  0.00           H  
HETATM  110  H   UNL     1     -11.166   0.280  -0.952  1.00  0.00           H  
HETATM  111  H   UNL     1      -9.434   0.474  -3.765  1.00  0.00           H  
HETATM  112  H   UNL     1     -10.115  -1.170  -3.735  1.00  0.00           H  
HETATM  113  H   UNL     1     -11.880   0.517  -4.166  1.00  0.00           H  
HETATM  114  H   UNL     1     -12.149  -0.306  -2.611  1.00  0.00           H  
HETATM  115  H   UNL     1     -11.468   1.338  -2.641  1.00  0.00           H  
CONECT    1    2    3    3    4                                       
CONECT    1   53                                                      
CONECT    2    1   66                                                 
CONECT    3    1    1                                                 
CONECT    4    1    5                                                 
CONECT    5    4    6   67   68                                       
CONECT    6    5    7    8   69                                       
CONECT    7    6   12                                                 
CONECT    8    6    9   10   70                                       
CONECT    9    8   72                                                 
CONECT   10    8   11   12   73                                       
CONECT   11   10   74                                                 
CONECT   12    7   10   13   71                                       
CONECT   13   12   14   22                                            
CONECT   14   13   15   15   75                                       
CONECT   15   14   14   16                                            
CONECT   16   15   17   17   22                                       
CONECT   17   16   16   18   19                                       
CONECT   18   17   76   77                                            
CONECT   19   17   20   20                                            
CONECT   20   19   19   21   78                                       
CONECT   21   20   22   22                                            
CONECT   22   13   16   21   21                                       
CONECT   23   24   40   79                                            
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   81                                            
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   40   60                                       
CONECT   30   29   31   82                                            
CONECT   31   30   32   38   38                                       
CONECT   32   31   33   33   84                                       
CONECT   33   32   32   34   35                                       
CONECT   34   33   85   86   87                                       
CONECT   35   33   36   37   37                                       
CONECT   36   35   88   89   90                                       
CONECT   37   35   35   38   91                                       
CONECT   38   31   31   37   39                                       
CONECT   39   38   40   41                                            
CONECT   40   23   29   39   80                                       
CONECT   41   39   42   92   93                                       
CONECT   42   41   43   44   94                                       
CONECT   43   42   95                                                 
CONECT   44   42   45   46   96                                       
CONECT   45   44   97                                                 
CONECT   46   44   47   48   98                                       
CONECT   47   46   99                                                 
CONECT   48   46   49  100  101                                       
CONECT   49   48   50                                                 
CONECT   50   49   51   51   52                                       
CONECT   50   53                                                      
CONECT   51   50   50                                                 
CONECT   52   50  102                                                 
CONECT   53    1   50                                                 
CONECT   54   55   59   59  103                                       
CONECT   55   54   56   56  104                                       
CONECT   56   55   55   57  105                                       
CONECT   57   56   58   58  106                                       
CONECT   58   57   57   59  107                                       
CONECT   59   54   54   58   60                                       
CONECT   60   29   59   61   83                                       
CONECT   61   60   62  108  109                                       
CONECT   62   61   63   63   64                                       
CONECT   63   62   62  110                                            
CONECT   64   62   65  111  112                                       
CONECT   65   64  113  114  115                                       
CONECT   66    2                                                      
CONECT   67    5                                                      
CONECT   68    5                                                      
CONECT   69    6                                                      
CONECT   70    8                                                      
CONECT   71   12                                                      
CONECT   72    9                                                      
CONECT   73   10                                                      
CONECT   74   11                                                      
CONECT   75   14                                                      
CONECT   76   18                                                      
CONECT   77   18                                                      
CONECT   78   20                                                      
CONECT   79   23                                                      
CONECT   80   40                                                      
CONECT   81   26                                                      
CONECT   82   30                                                      
CONECT   83   60                                                      
CONECT   84   32                                                      
CONECT   85   34                                                      
CONECT   86   34                                                      
CONECT   87   34                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   36                                                      
CONECT   91   37                                                      
CONECT   92   41                                                      
CONECT   93   41                                                      
CONECT   94   42                                                      
CONECT   95   43                                                      
CONECT   96   44                                                      
CONECT   97   45                                                      
CONECT   98   46                                                      
CONECT   99   47                                                      
CONECT  100   48                                                      
CONECT  101   48                                                      
CONECT  102   52                                                      
CONECT  103   54                                                      
CONECT  104   55                                                      
CONECT  105   56                                                      
CONECT  106   57                                                      
CONECT  107   58                                                      
CONECT  108   61                                                      
CONECT  109   61                                                      
CONECT  110   63                                                      
CONECT  111   64                                                      
CONECT  112   64                                                      
CONECT  113   65                                                      
CONECT  114   65                                                      
CONECT  115   65                                                      
MASTER        0    0    0    0    0    0    0    0  115    0  115    0
END
