COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.396   6.712  -2.100  1.00  0.00           C  
HETATM    2  C   UNL     1      10.820   5.850  -0.975  1.00  0.00           C  
HETATM    3  C   UNL     1       9.686   4.984  -1.526  1.00  0.00           C  
HETATM    4  C   UNL     1       9.109   4.122  -0.401  1.00  0.00           C  
HETATM    5  C   UNL     1       7.975   3.256  -0.951  1.00  0.00           C  
HETATM    6  C   UNL     1       7.399   2.394   0.174  1.00  0.00           C  
HETATM    7  C   UNL     1       6.264   1.528  -0.377  1.00  0.00           C  
HETATM    8  C   UNL     1       5.688   0.666   0.748  1.00  0.00           C  
HETATM    9  N   UNL     1       4.602  -0.163   0.221  1.00  0.00           N  
HETATM   10  C   UNL     1       3.926  -1.029   1.057  1.00  0.00           C  
HETATM   11  N   UNL     1       4.168  -1.185   2.334  1.00  0.00           N  
HETATM   12  C   UNL     1       3.319  -2.113   2.844  1.00  0.00           C  
HETATM   13  C   UNL     1       3.119  -2.672   4.116  1.00  0.00           C  
HETATM   14  N   UNL     1       2.166  -3.587   4.264  1.00  0.00           N  
HETATM   15  C   UNL     1       1.421  -3.968   3.243  1.00  0.00           C  
HETATM   16  N   UNL     1       1.573  -3.472   2.033  1.00  0.00           N  
HETATM   17  C   UNL     1       2.500  -2.551   1.790  1.00  0.00           C  
HETATM   18  N   UNL     1       2.899  -1.849   0.677  1.00  0.00           N  
HETATM   19  C   UNL     1       2.331  -1.960  -0.669  1.00  0.00           C  
HETATM   20  C   UNL     1       2.734  -3.305  -1.313  1.00  0.00           C  
HETATM   21  C   UNL     1       1.480  -3.731  -2.109  1.00  0.00           C  
HETATM   22  C   UNL     1       0.468  -2.593  -1.852  1.00  0.00           C  
HETATM   23  O   UNL     1       0.889  -2.000  -0.604  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.948  -3.159  -1.722  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.881  -2.083  -1.601  1.00  0.00           O  
HETATM   26  P   UNL     1      -3.467  -2.312  -1.446  1.00  0.00           P  
HETATM   27  O   UNL     1      -4.045  -2.990  -2.787  1.00  0.00           O  
HETATM   28  O   UNL     1      -3.727  -3.202  -0.292  1.00  0.00           O  
HETATM   29  O   UNL     1      -4.193  -0.896  -1.205  1.00  0.00           O  
HETATM   30  P   UNL     1      -5.616  -0.458  -0.593  1.00  0.00           P  
HETATM   31  O   UNL     1      -6.779  -0.769  -1.662  1.00  0.00           O  
HETATM   32  O   UNL     1      -5.873  -1.218   0.651  1.00  0.00           O  
HETATM   33  O   UNL     1      -5.597   1.118  -0.264  1.00  0.00           O  
HETATM   34  C   UNL     1      -6.677   1.791   0.386  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.334   3.274   0.543  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.431   3.997   1.354  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.564   5.386   0.697  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.537   5.386  -0.455  1.00  0.00           C  
HETATM   39  N   UNL     1      -6.340   3.949  -0.780  1.00  0.00           N1+
HETATM   40  O   UNL     1      -7.251   6.413   1.640  1.00  0.00           O  
HETATM   41  O   UNL     1      -7.032   4.130   2.720  1.00  0.00           O  
HETATM   42  O   UNL     1       1.781  -3.828  -3.503  1.00  0.00           O  
HETATM   43  O   UNL     1       3.848  -3.126  -2.191  1.00  0.00           O  
HETATM   44  N   UNL     1       3.897  -2.278   5.193  1.00  0.00           N  
HETATM   45  H   UNL     1      12.205   7.329  -1.708  1.00  0.00           H  
HETATM   46  H   UNL     1      11.782   6.068  -2.890  1.00  0.00           H  
HETATM   47  H   UNL     1      11.603   5.209  -0.571  1.00  0.00           H  
HETATM   48  H   UNL     1       8.902   5.625  -1.930  1.00  0.00           H  
HETATM   49  H   UNL     1      10.071   4.340  -2.316  1.00  0.00           H  
HETATM   50  H   UNL     1       9.893   3.481   0.003  1.00  0.00           H  
HETATM   51  H   UNL     1       8.724   4.766   0.389  1.00  0.00           H  
HETATM   52  H   UNL     1       7.192   3.897  -1.355  1.00  0.00           H  
HETATM   53  H   UNL     1       8.361   2.612  -1.742  1.00  0.00           H  
HETATM   54  H   UNL     1       8.182   1.753   0.578  1.00  0.00           H  
HETATM   55  H   UNL     1       7.013   3.038   0.964  1.00  0.00           H  
HETATM   56  H   UNL     1       5.481   2.169  -0.781  1.00  0.00           H  
HETATM   57  H   UNL     1       6.650   0.884  -1.167  1.00  0.00           H  
HETATM   58  H   UNL     1       6.471   0.025   1.152  1.00  0.00           H  
HETATM   59  H   UNL     1       0.658  -4.715   3.407  1.00  0.00           H  
HETATM   60  H   UNL     1       2.660  -1.127  -1.289  1.00  0.00           H  
HETATM   61  H   UNL     1       2.967  -4.042  -0.544  1.00  0.00           H  
HETATM   62  H   UNL     1       1.095  -4.680  -1.736  1.00  0.00           H  
HETATM   63  H   UNL     1       0.510  -1.859  -2.656  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.186  -3.749  -2.607  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.006  -3.792  -0.837  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.910  -2.461  -3.585  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.675  -0.303  -2.503  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.582   1.689  -0.213  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.840   1.350   1.369  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.364   3.390   1.027  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.373   3.453   1.286  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.572   5.526   0.308  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.934   5.919  -1.319  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.599   5.836  -0.129  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.458   3.812  -1.250  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.318   7.309   1.283  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.682   4.577   3.278  1.00  0.00           H  
HETATM   78  H   UNL     1       2.457  -4.487  -3.714  1.00  0.00           H  
HETATM   79  H   UNL     1       4.143  -3.940  -2.622  1.00  0.00           H  
HETATM   80  H   UNL     1       4.589  -1.609   5.073  1.00  0.00           H  
HETATM   81  H   UNL     1       3.749  -2.671   6.067  1.00  0.00           H  
HETATM   82  H   UNL     1       4.357  -0.104  -0.716  1.00  0.00           H  
HETATM   83  H   UNL     1       5.302   1.310   1.538  1.00  0.00           H  
HETATM   84  H   UNL     1      10.613   7.353  -2.504  1.00  0.00           H  
HETATM   85  H   UNL     1      10.434   6.495  -0.185  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.101   3.608  -1.347  1.00  0.00           H  
CONECT    1    2   45   46   84                                       
CONECT    2    1    3   47   85                                       
CONECT    3    2    4   48   49                                       
CONECT    4    3    5   50   51                                       
CONECT    5    4    6   52   53                                       
CONECT    6    5    7   54   55                                       
CONECT    7    6    8   56   57                                       
CONECT    8    7    9   58   83                                       
CONECT    9    8   10   82                                            
CONECT   10    9   11   11   18                                       
CONECT   11   10   10   12                                            
CONECT   12   11   13   13   17                                       
CONECT   13   12   12   44   14                                       
CONECT   14   13   15   15                                            
CONECT   15   14   14   16   59                                       
CONECT   16   15   17   17                                            
CONECT   17   12   16   16   18                                       
CONECT   18   10   17   19                                            
CONECT   19   18   20   23   60                                       
CONECT   20   19   43   21   61                                       
CONECT   21   20   42   22   62                                       
CONECT   22   21   23   24   63                                       
CONECT   23   19   22                                                 
CONECT   24   22   25   64   65                                       
CONECT   25   24   26                                                 
CONECT   26   25   28   28   27                                       
CONECT   26   29                                                      
CONECT   27   26   66                                                 
CONECT   28   26   26                                                 
CONECT   29   26   30                                                 
CONECT   30   29   32   32   33                                       
CONECT   30   31                                                      
CONECT   31   30   67                                                 
CONECT   32   30   30                                                 
CONECT   33   30   34                                                 
CONECT   34   33   35   68   69                                       
CONECT   35   34   39   36   70                                       
CONECT   36   35   37   41   71                                       
CONECT   37   36   38   40   72                                       
CONECT   38   37   39   73   74                                       
CONECT   39   35   38   75   86                                       
CONECT   40   37   76                                                 
CONECT   41   36   77                                                 
CONECT   42   21   78                                                 
CONECT   43   20   79                                                 
CONECT   44   13   80   81                                            
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59   15                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   27                                                      
CONECT   67   31                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73   38                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
CONECT   79   43                                                      
CONECT   80   44                                                      
CONECT   81   44                                                      
CONECT   82    9                                                      
CONECT   83    8                                                      
CONECT   84    1                                                      
CONECT   85    2                                                      
CONECT   86   39                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
