COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.546   4.850   0.709  1.00  0.00           N  
HETATM    2  C   UNL     1     -21.456  -5.172  -1.292  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.184   4.492  -0.749  1.00  0.00           O  
HETATM    4  C   UNL     1     -20.709  -4.067  -0.543  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.864   1.430  -0.764  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.117   2.536  -0.015  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.746   2.751  -0.659  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.999   3.856   0.090  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.628   4.071  -0.553  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.881   5.177   0.196  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.509   5.392  -0.447  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.773   6.481   0.290  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.530   6.274   0.713  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.747   5.150   0.176  1.00  0.00           C  
HETATM   15  C   UNL     1     -19.338  -3.852  -1.186  1.00  0.00           C  
HETATM   16  C   UNL     1       0.233   3.731   0.174  1.00  0.00           C  
HETATM   17  C   UNL     1       1.549   3.610   0.946  1.00  0.00           C  
HETATM   18  C   UNL     1       2.363   2.441   0.387  1.00  0.00           C  
HETATM   19  C   UNL     1       3.678   2.321   1.159  1.00  0.00           C  
HETATM   20  C   UNL     1       4.492   1.152   0.601  1.00  0.00           C  
HETATM   21  C   UNL     1       3.497  -0.477   2.115  1.00  0.00           C  
HETATM   22  C   UNL     1       2.764  -1.768   2.373  1.00  0.00           C  
HETATM   23  C   UNL     1       1.250  -1.553   2.324  1.00  0.00           C  
HETATM   24  C   UNL     1       3.193  -2.387   3.726  1.00  0.00           C  
HETATM   25  C   UNL     1       3.989  -3.625   2.018  1.00  0.00           C  
HETATM   26  C   UNL     1     -18.591  -2.746  -0.437  1.00  0.00           C  
HETATM   27  C   UNL     1       4.595  -4.799   1.356  1.00  0.00           C  
HETATM   28  C   UNL     1       5.458  -5.636   2.064  1.00  0.00           C  
HETATM   29  C   UNL     1       6.020  -6.730   1.441  1.00  0.00           C  
HETATM   30  C   UNL     1       5.732  -7.003   0.115  1.00  0.00           C  
HETATM   31  C   UNL     1       4.879  -6.183  -0.597  1.00  0.00           C  
HETATM   32  C   UNL     1       4.301  -5.082   0.016  1.00  0.00           C  
HETATM   33  C   UNL     1       5.838   1.109   1.277  1.00  0.00           C  
HETATM   34  C   UNL     1       8.087   1.840   1.574  1.00  0.00           C  
HETATM   35  C   UNL     1       8.087   2.793   2.771  1.00  0.00           C  
HETATM   36  C   UNL     1       9.221   2.220   0.620  1.00  0.00           C  
HETATM   37  C   UNL     1     -17.219  -2.531  -1.081  1.00  0.00           C  
HETATM   38  C   UNL     1       9.300   1.210  -0.495  1.00  0.00           C  
HETATM   39  C   UNL     1      10.307   0.360  -2.544  1.00  0.00           C  
HETATM   40  C   UNL     1      10.971   0.995  -3.768  1.00  0.00           C  
HETATM   41  C   UNL     1      10.547   0.284  -5.040  1.00  0.00           C  
HETATM   42  C   UNL     1      11.050  -1.144  -5.141  1.00  0.00           C  
HETATM   43  C   UNL     1      10.394  -2.030  -4.080  1.00  0.00           C  
HETATM   44  C   UNL     1      11.145  -0.822  -2.103  1.00  0.00           C  
HETATM   45  C   UNL     1     -16.472  -1.426  -0.332  1.00  0.00           C  
HETATM   46  C   UNL     1     -15.101  -1.211  -0.975  1.00  0.00           C  
HETATM   47  C   UNL     1     -14.354  -0.105  -0.226  1.00  0.00           C  
HETATM   48  C   UNL     1     -12.983   0.110  -0.869  1.00  0.00           C  
HETATM   49  C   UNL     1     -12.236   1.215  -0.121  1.00  0.00           C  
HETATM   50  N   UNL     1       3.779  -0.103   0.851  1.00  0.00           N  
HETATM   51  N   UNL     1       3.179  -2.811   1.413  1.00  0.00           N  
HETATM   52  N   UNL     1      10.231   1.342  -1.460  1.00  0.00           N  
HETATM   53  N   UNL     1      11.177  -1.934  -2.837  1.00  0.00           N  
HETATM   54  O   UNL     1       3.833   0.225   3.045  1.00  0.00           O  
HETATM   55  O   UNL     1       4.226  -3.302   3.306  1.00  0.00           O  
HETATM   56  O   UNL     1       3.462  -4.275  -0.683  1.00  0.00           O  
HETATM   57  O   UNL     1       6.037   0.329   2.178  1.00  0.00           O  
HETATM   58  O   UNL     1       6.816   1.937   0.878  1.00  0.00           O  
HETATM   59  O   UNL     1       8.525   0.277  -0.524  1.00  0.00           O  
HETATM   60  O   UNL     1      11.790  -0.756  -1.077  1.00  0.00           O  
HETATM   61  H   UNL     1      -0.196   5.377   1.444  1.00  0.00           H  
HETATM   62  H   UNL     1     -21.585  -4.882  -2.334  1.00  0.00           H  
HETATM   63  H   UNL     1     -20.882  -6.097  -1.241  1.00  0.00           H  
HETATM   64  H   UNL     1     -22.433  -5.325  -0.833  1.00  0.00           H  
HETATM   65  H   UNL     1     -21.283  -3.141  -0.594  1.00  0.00           H  
HETATM   66  H   UNL     1     -20.580  -4.357   0.500  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.993   1.721  -1.807  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.290   0.505  -0.713  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.691   3.461  -0.066  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.988   2.246   1.027  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.172   1.826  -0.608  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.875   3.041  -1.701  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.573   4.782   0.039  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.870   3.566   1.133  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.053   3.146  -0.502  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.757   4.362  -1.596  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.455   6.102   0.145  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.751   4.886   1.238  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.935   4.467  -0.397  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.638   5.682  -1.490  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.256   7.429   0.475  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.094   6.932   1.451  1.00  0.00           H  
HETATM   83  H   UNL     1     -18.764  -4.777  -1.135  1.00  0.00           H  
HETATM   84  H   UNL     1     -19.467  -3.561  -2.229  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.336   2.808   0.281  1.00  0.00           H  
HETATM   86  H   UNL     1       0.445   3.907  -0.880  1.00  0.00           H  
HETATM   87  H   UNL     1       2.118   4.534   0.840  1.00  0.00           H  
HETATM   88  H   UNL     1       1.336   3.434   2.001  1.00  0.00           H  
HETATM   89  H   UNL     1       1.793   1.518   0.494  1.00  0.00           H  
HETATM   90  H   UNL     1       2.575   2.618  -0.667  1.00  0.00           H  
HETATM   91  H   UNL     1       4.248   3.244   1.053  1.00  0.00           H  
HETATM   92  H   UNL     1       3.466   2.145   2.214  1.00  0.00           H  
HETATM   93  H   UNL     1       4.628   1.285  -0.473  1.00  0.00           H  
HETATM   94  H   UNL     1       0.969  -1.168   1.344  1.00  0.00           H  
HETATM   95  H   UNL     1       0.743  -2.501   2.501  1.00  0.00           H  
HETATM   96  H   UNL     1       0.960  -0.837   3.093  1.00  0.00           H  
HETATM   97  H   UNL     1       3.592  -1.625   4.395  1.00  0.00           H  
HETATM   98  H   UNL     1       2.364  -2.920   4.192  1.00  0.00           H  
HETATM   99  H   UNL     1     -19.165  -1.821  -0.488  1.00  0.00           H  
HETATM  100  H   UNL     1     -18.462  -3.037   0.605  1.00  0.00           H  
HETATM  101  H   UNL     1       5.686  -5.426   3.099  1.00  0.00           H  
HETATM  102  H   UNL     1       6.689  -7.377   1.990  1.00  0.00           H  
HETATM  103  H   UNL     1       6.176  -7.862  -0.365  1.00  0.00           H  
HETATM  104  H   UNL     1       4.658  -6.402  -1.632  1.00  0.00           H  
HETATM  105  H   UNL     1       8.233   0.818   1.923  1.00  0.00           H  
HETATM  106  H   UNL     1       7.940   3.815   2.422  1.00  0.00           H  
HETATM  107  H   UNL     1       7.278   2.522   3.451  1.00  0.00           H  
HETATM  108  H   UNL     1       9.040   2.720   3.294  1.00  0.00           H  
HETATM  109  H   UNL     1       9.029   3.208   0.202  1.00  0.00           H  
HETATM  110  H   UNL     1      10.165   2.234   1.165  1.00  0.00           H  
HETATM  111  H   UNL     1     -16.645  -3.456  -1.030  1.00  0.00           H  
HETATM  112  H   UNL     1     -17.348  -2.241  -2.123  1.00  0.00           H  
HETATM  113  H   UNL     1       9.305   0.021  -2.806  1.00  0.00           H  
HETATM  114  H   UNL     1      10.682   2.044  -3.830  1.00  0.00           H  
HETATM  115  H   UNL     1      12.054   0.928  -3.664  1.00  0.00           H  
HETATM  116  H   UNL     1       9.458   0.273  -5.086  1.00  0.00           H  
HETATM  117  H   UNL     1      10.922   0.847  -5.895  1.00  0.00           H  
HETATM  118  H   UNL     1      10.816  -1.537  -6.131  1.00  0.00           H  
HETATM  119  H   UNL     1      12.130  -1.155  -4.998  1.00  0.00           H  
HETATM  120  H   UNL     1       9.375  -1.688  -3.898  1.00  0.00           H  
HETATM  121  H   UNL     1      10.376  -3.063  -4.426  1.00  0.00           H  
HETATM  122  H   UNL     1     -17.047  -0.500  -0.383  1.00  0.00           H  
HETATM  123  H   UNL     1     -16.343  -1.716   0.711  1.00  0.00           H  
HETATM  124  H   UNL     1     -14.527  -2.136  -0.924  1.00  0.00           H  
HETATM  125  H   UNL     1     -15.230  -0.920  -2.018  1.00  0.00           H  
HETATM  126  H   UNL     1     -14.928   0.820  -0.277  1.00  0.00           H  
HETATM  127  H   UNL     1     -14.225  -0.396   0.816  1.00  0.00           H  
HETATM  128  H   UNL     1     -12.408  -0.815  -0.819  1.00  0.00           H  
HETATM  129  H   UNL     1     -13.112   0.400  -1.912  1.00  0.00           H  
HETATM  130  H   UNL     1     -12.106   0.925   0.922  1.00  0.00           H  
HETATM  131  H   UNL     1     -12.810   2.141  -0.172  1.00  0.00           H  
HETATM  132  H   UNL     1       3.510  -0.665   0.108  1.00  0.00           H  
HETATM  133  H   UNL     1      10.851   2.088  -1.437  1.00  0.00           H  
HETATM  134  H   UNL     1      11.719  -2.686  -2.551  1.00  0.00           H  
HETATM  135  H   UNL     1       2.533  -4.539  -0.637  1.00  0.00           H  
CONECT    1   14   16   61                                            
CONECT    2    4   62   63   64                                       
CONECT    3   14   14                                                 
CONECT    4   15    2   65   66                                       
CONECT    5   49    6   67   68                                       
CONECT    6    5    7   69   70                                       
CONECT    7    6    8   71   72                                       
CONECT    8    7    9   73   74                                       
CONECT    9    8   10   75   76                                       
CONECT   10    9   11   77   78                                       
CONECT   11   10   12   79   80                                       
CONECT   12   11   13   13   81                                       
CONECT   13   12   12   14   82                                       
CONECT   14    3    3   13    1                                       
CONECT   15   26    4   83   84                                       
CONECT   16    1   17   85   86                                       
CONECT   17   16   18   87   88                                       
CONECT   18   17   19   89   90                                       
CONECT   19   18   20   91   92                                       
CONECT   20   33   19   50   93                                       
CONECT   21   54   54   50   22                                       
CONECT   22   21   23   51   24                                       
CONECT   23   22   94   95   96                                       
CONECT   24   22   55   97   98                                       
CONECT   25   51   51   27   55                                       
CONECT   26   37   15   99  100                                       
CONECT   27   32   25   28   28                                       
CONECT   28   27   27   29  101                                       
CONECT   29   30   30   28  102                                       
CONECT   30   31   29   29  103                                       
CONECT   31   32   32   30  104                                       
CONECT   32   56   31   31   27                                       
CONECT   33   58   57   57   20                                       
CONECT   34   36   35   58  105                                       
CONECT   35   34  106  107  108                                       
CONECT   36   38   34  109  110                                       
CONECT   37   45   26  111  112                                       
CONECT   38   59   59   36   52                                       
CONECT   39   52   44   40  113                                       
CONECT   40   39   41  114  115                                       
CONECT   41   40   42  116  117                                       
CONECT   42   43   41  118  119                                       
CONECT   43   53   42  120  121                                       
CONECT   44   60   60   39   53                                       
CONECT   45   46   37  122  123                                       
CONECT   46   47   45  124  125                                       
CONECT   47   48   46  126  127                                       
CONECT   48   47   49  128  129                                       
CONECT   49   48    5  130  131                                       
CONECT   50   20   21  132                                            
CONECT   51   22   25   25                                            
CONECT   52   38   39  133                                            
CONECT   53   44   43  134                                            
CONECT   54   21   21                                                 
CONECT   55   25   24                                                 
CONECT   56   32  135                                                 
CONECT   57   33   33                                                 
CONECT   58   34   33                                                 
CONECT   59   38   38                                                 
CONECT   60   44   44                                                 
CONECT   61    1                                                      
CONECT   62    2                                                      
CONECT   63    2                                                      
CONECT   64    2                                                      
CONECT   65    4                                                      
CONECT   66    4                                                      
CONECT   67    5                                                      
CONECT   68    5                                                      
CONECT   69    6                                                      
CONECT   70    6                                                      
CONECT   71    7                                                      
CONECT   72    7                                                      
CONECT   73    8                                                      
CONECT   74    8                                                      
CONECT   75    9                                                      
CONECT   76    9                                                      
CONECT   77   10                                                      
CONECT   78   10                                                      
CONECT   79   11                                                      
CONECT   80   11                                                      
CONECT   81   12                                                      
CONECT   82   13                                                      
CONECT   83   15                                                      
CONECT   84   15                                                      
CONECT   85   16                                                      
CONECT   86   16                                                      
CONECT   87   17                                                      
CONECT   88   17                                                      
CONECT   89   18                                                      
CONECT   90   18                                                      
CONECT   91   19                                                      
CONECT   92   19                                                      
CONECT   93   20                                                      
CONECT   94   23                                                      
CONECT   95   23                                                      
CONECT   96   23                                                      
CONECT   97   24                                                      
CONECT   98   24                                                      
CONECT   99   26                                                      
CONECT  100   26                                                      
CONECT  101   28                                                      
CONECT  102   29                                                      
CONECT  103   30                                                      
CONECT  104   31                                                      
CONECT  105   34                                                      
CONECT  106   35                                                      
CONECT  107   35                                                      
CONECT  108   35                                                      
CONECT  109   36                                                      
CONECT  110   36                                                      
CONECT  111   37                                                      
CONECT  112   37                                                      
CONECT  113   39                                                      
CONECT  114   40                                                      
CONECT  115   40                                                      
CONECT  116   41                                                      
CONECT  117   41                                                      
CONECT  118   42                                                      
CONECT  119   42                                                      
CONECT  120   43                                                      
CONECT  121   43                                                      
CONECT  122   45                                                      
CONECT  123   45                                                      
CONECT  124   46                                                      
CONECT  125   46                                                      
CONECT  126   47                                                      
CONECT  127   47                                                      
CONECT  128   48                                                      
CONECT  129   48                                                      
CONECT  130   49                                                      
CONECT  131   49                                                      
CONECT  132   50                                                      
CONECT  133   52                                                      
CONECT  134   53                                                      
CONECT  135   56                                                      
MASTER        0    0    0    0    0    0    0    0  135    0  135    0
END
