COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.355  -0.906   0.751  1.00  0.00           C  
HETATM    2  C   UNL     1       3.443   0.163   0.565  1.00  0.00           C  
HETATM    3  C   UNL     1       1.436  -1.080  -2.387  1.00  0.00           C  
HETATM    4  C   UNL     1       1.625  -2.022  -3.417  1.00  0.00           C  
HETATM    5  C   UNL     1       2.764  -2.813  -3.427  1.00  0.00           C  
HETATM    6  C   UNL     1       3.713  -2.746  -2.425  1.00  0.00           C  
HETATM    7  C   UNL     1       2.513  -0.896  -1.409  1.00  0.00           C  
HETATM    8  C   UNL     1       0.139  -0.519  -2.564  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.863  -2.811  -2.633  1.00  0.00           C  
HETATM   10  C   UNL     1       5.084  -2.106   2.717  1.00  0.00           C  
HETATM   11  C   UNL     1       0.145  -2.386   3.426  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.299  -2.213   3.082  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.554  -2.802   2.451  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.634  -1.713   2.353  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.336  -1.767   0.997  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.189  -1.108  -1.440  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.035  -0.165  -2.336  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.004  -3.972   1.847  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.603   1.172   0.543  1.00  0.00           C  
HETATM   20  C   UNL     1       2.705   2.278   0.290  1.00  0.00           C  
HETATM   21  C   UNL     1       3.795   2.767  -0.645  1.00  0.00           C  
HETATM   22  O   UNL     1       5.406  -2.832  -0.153  1.00  0.00           O  
HETATM   23  C   UNL     1       2.548   0.156  -0.488  1.00  0.00           C  
HETATM   24  C   UNL     1       3.577  -1.838  -1.354  1.00  0.00           C  
HETATM   25  C   UNL     1       2.608  -2.148   3.051  1.00  0.00           C  
HETATM   26  C   UNL     1       1.375  -3.013   2.773  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.129  -3.192   3.154  1.00  0.00           C  
HETATM   28  C   UNL     1       3.797  -4.101   1.985  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.093  -3.949   3.309  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.958  -2.544  -1.912  1.00  0.00           C  
HETATM   31  C   UNL     1       4.457  -1.856  -0.250  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.536  -1.560  -3.474  1.00  0.00           C  
HETATM   33  C   UNL     1       2.978  -3.789  -4.556  1.00  0.00           C  
HETATM   34  C   UNL     1       3.886  -2.977   3.011  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.611  -0.914  -0.039  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.557  -0.137  -2.437  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.375   0.046  -3.691  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.769  -1.251   1.178  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.076   2.000  -3.387  1.00  0.00           C  
HETATM   40  C   UNL     1       1.953   3.410   0.946  1.00  0.00           C  
HETATM   41  C   UNL     1       3.304   3.867  -1.566  1.00  0.00           C  
HETATM   42  C   UNL     1       1.544   4.472  -0.056  1.00  0.00           C  
HETATM   43  C   UNL     1       3.725   5.423   0.205  1.00  0.00           C  
HETATM   44  C   UNL     1       3.305   6.748   0.845  1.00  0.00           C  
HETATM   45  C   UNL     1       4.273   7.098   1.977  1.00  0.00           C  
HETATM   46  C   UNL     1       3.333   7.855  -0.211  1.00  0.00           C  
HETATM   47  C   UNL     1      -4.919   4.651   1.061  1.00  0.00           C  
HETATM   48  C   UNL     1      -3.746   5.351   1.285  1.00  0.00           C  
HETATM   49  C   UNL     1      -2.528   4.696   1.268  1.00  0.00           C  
HETATM   50  C   UNL     1      -2.474   3.339   1.028  1.00  0.00           C  
HETATM   51  C   UNL     1      -3.653   2.626   0.801  1.00  0.00           C  
HETATM   52  C   UNL     1      -4.880   3.293   0.824  1.00  0.00           C  
HETATM   53  N   UNL     1       5.017  -0.990   1.972  1.00  0.00           N  
HETATM   54  N   UNL     1       3.290   1.363   1.321  1.00  0.00           N  
HETATM   55  N   UNL     1       1.774   1.365  -0.445  1.00  0.00           N  
HETATM   56  N   UNL     1       2.707   5.018  -0.824  1.00  0.00           N  
HETATM   57  O   UNL     1      -2.602  -1.763   4.409  1.00  0.00           O  
HETATM   58  O   UNL     1       6.144  -2.412   3.242  1.00  0.00           O  
HETATM   59  O   UNL     1       4.784  -3.576  -2.496  1.00  0.00           O  
HETATM   60  O   UNL     1       0.580  -1.969  -4.316  1.00  0.00           O  
HETATM   61  O   UNL     1      -0.301   0.513  -2.108  1.00  0.00           O  
HETATM   62  O   UNL     1      -1.647  -1.074  -4.159  1.00  0.00           O  
HETATM   63  O   UNL     1      -5.030   1.190  -2.210  1.00  0.00           O  
HETATM   64  O   UNL     1      -4.743   0.488   0.325  1.00  0.00           O  
HETATM   65  O   UNL     1      -2.535   0.594   0.528  1.00  0.00           O  
HETATM   66  O   UNL     1      -4.059  -0.427   2.568  1.00  0.00           O  
HETATM   67  H   UNL     1      -1.535  -2.536  -1.820  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.342  -3.558  -3.265  1.00  0.00           H  
HETATM   69  H   UNL     1       0.058  -3.221  -2.220  1.00  0.00           H  
HETATM   70  H   UNL     1       0.311  -2.330   4.508  1.00  0.00           H  
HETATM   71  H   UNL     1       0.011  -1.370   3.048  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.976  -1.345   2.492  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.354  -3.161   1.444  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.376  -1.905   3.138  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.381  -2.807   0.666  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.268  -0.918  -1.416  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.716   0.637  -1.662  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.710  -1.105  -1.905  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.160  -4.658   1.914  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.919  -4.537   1.673  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.843  -3.276   1.023  1.00  0.00           H  
HETATM   82  H   UNL     1       4.676   3.070  -0.084  1.00  0.00           H  
HETATM   83  H   UNL     1       4.107   1.913  -1.275  1.00  0.00           H  
HETATM   84  H   UNL     1       6.275  -2.569  -0.485  1.00  0.00           H  
HETATM   85  H   UNL     1       2.653  -1.348   2.310  1.00  0.00           H  
HETATM   86  H   UNL     1       2.503  -1.694   4.042  1.00  0.00           H  
HETATM   87  H   UNL     1       1.513  -4.010   3.184  1.00  0.00           H  
HETATM   88  H   UNL     1       1.252  -3.058   1.689  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.282  -3.889   3.982  1.00  0.00           H  
HETATM   90  H   UNL     1       3.511  -3.688   1.018  1.00  0.00           H  
HETATM   91  H   UNL     1       4.767  -4.591   1.899  1.00  0.00           H  
HETATM   92  H   UNL     1       3.050  -4.827   2.305  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.337  -3.576   4.303  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.990  -4.359   2.845  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.336  -4.729   3.388  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.887  -2.737  -1.978  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.409  -3.237  -1.202  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.412  -2.682  -2.893  1.00  0.00           H  
HETATM   99  H   UNL     1       3.527  -3.300  -5.360  1.00  0.00           H  
HETATM  100  H   UNL     1       3.548  -4.644  -4.194  1.00  0.00           H  
HETATM  101  H   UNL     1       2.012  -4.128  -4.930  1.00  0.00           H  
HETATM  102  H   UNL     1       4.037  -3.422   4.006  1.00  0.00           H  
HETATM  103  H   UNL     1      -3.552  -1.176  -0.055  1.00  0.00           H  
HETATM  104  H   UNL     1      -4.840  -0.443  -3.450  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.164   0.265  -4.422  1.00  0.00           H  
HETATM  106  H   UNL     1      -1.722   0.918  -3.645  1.00  0.00           H  
HETATM  107  H   UNL     1      -6.741  -0.224   1.544  1.00  0.00           H  
HETATM  108  H   UNL     1      -7.289  -1.281   0.221  1.00  0.00           H  
HETATM  109  H   UNL     1      -7.294  -1.879   1.897  1.00  0.00           H  
HETATM  110  H   UNL     1      -5.445   2.992  -3.131  1.00  0.00           H  
HETATM  111  H   UNL     1      -4.074   2.083  -3.810  1.00  0.00           H  
HETATM  112  H   UNL     1      -5.741   1.541  -4.118  1.00  0.00           H  
HETATM  113  H   UNL     1       1.034   2.997   1.401  1.00  0.00           H  
HETATM  114  H   UNL     1       2.527   3.835   1.765  1.00  0.00           H  
HETATM  115  H   UNL     1       4.136   4.256  -2.158  1.00  0.00           H  
HETATM  116  H   UNL     1       2.540   3.475  -2.240  1.00  0.00           H  
HETATM  117  H   UNL     1       0.841   4.056  -0.779  1.00  0.00           H  
HETATM  118  H   UNL     1       1.069   5.311   0.457  1.00  0.00           H  
HETATM  119  H   UNL     1       4.697   5.543  -0.273  1.00  0.00           H  
HETATM  120  H   UNL     1       3.791   4.653   0.974  1.00  0.00           H  
HETATM  121  H   UNL     1       2.296   6.654   1.246  1.00  0.00           H  
HETATM  122  H   UNL     1       5.282   7.192   1.576  1.00  0.00           H  
HETATM  123  H   UNL     1       3.974   8.042   2.432  1.00  0.00           H  
HETATM  124  H   UNL     1       4.253   6.309   2.728  1.00  0.00           H  
HETATM  125  H   UNL     1       4.342   7.950  -0.612  1.00  0.00           H  
HETATM  126  H   UNL     1       2.644   7.606  -1.017  1.00  0.00           H  
HETATM  127  H   UNL     1       3.034   8.799   0.245  1.00  0.00           H  
HETATM  128  H   UNL     1      -5.866   5.169   1.075  1.00  0.00           H  
HETATM  129  H   UNL     1      -3.783   6.414   1.473  1.00  0.00           H  
HETATM  130  H   UNL     1      -1.617   5.249   1.443  1.00  0.00           H  
HETATM  131  H   UNL     1      -1.522   2.829   1.014  1.00  0.00           H  
HETATM  132  H   UNL     1      -5.796   2.747   0.650  1.00  0.00           H  
HETATM  133  H   UNL     1       5.456  -0.171   2.321  1.00  0.00           H  
HETATM  134  H   UNL     1       4.299   1.705   1.381  1.00  0.00           H  
HETATM  135  H   UNL     1       1.053   1.132   0.304  1.00  0.00           H  
HETATM  136  H   UNL     1      -1.848  -1.376   4.874  1.00  0.00           H  
HETATM  137  H   UNL     1       5.537  -3.206  -2.976  1.00  0.00           H  
HETATM  138  H   UNL     1      -3.638  -0.324   3.432  1.00  0.00           H  
CONECT    1   53    2    2   31                                       
CONECT    2   54    1    1   23                                       
CONECT    3    7    8    4    4                                       
CONECT    4    3    3    5   60                                       
CONECT    5    6    6    4   33                                       
CONECT    6   24   59    5    5                                       
CONECT    7   23   23   24    3                                       
CONECT    8   61   61    3   32                                       
CONECT    9   32   67   68   69                                       
CONECT   10   34   58   58   53                                       
CONECT   11   26   27   70   71                                       
CONECT   12   27   13   57   72                                       
CONECT   13   29   12   14   73                                       
CONECT   14   13   15   66   74                                       
CONECT   15   38   14   35   75                                       
CONECT   16   35   30   36   76                                       
CONECT   17   36   37   77   78                                       
CONECT   18   27   79   80   81                                       
CONECT   19   64   51   65   65                                       
CONECT   20   40   54   21   55                                       
CONECT   21   41   20   82   83                                       
CONECT   22   31   84                                                 
CONECT   23    2   55    7    7                                       
CONECT   24   31   31    7    6                                       
CONECT   25   26   34   85   86                                       
CONECT   26   25   11   87   88                                       
CONECT   27   18   11   12   89                                       
CONECT   28   34   90   91   92                                       
CONECT   29   13   93   94   95                                       
CONECT   30   16   96   97   98                                       
CONECT   31    1   22   24   24                                       
CONECT   32    8   62    9   60                                       
CONECT   33    5   99  100  101                                       
CONECT   34   28   25   10  102                                       
CONECT   35   15   64   16  103                                       
CONECT   36   16   17   63  104                                       
CONECT   37   17   62  105  106                                       
CONECT   38   15  107  108  109                                       
CONECT   39   63  110  111  112                                       
CONECT   40   42   20  113  114                                       
CONECT   41   56   21  115  116                                       
CONECT   42   56   40  117  118                                       
CONECT   43   44   56  119  120                                       
CONECT   44   45   46   43  121                                       
CONECT   45   44  122  123  124                                       
CONECT   46   44  125  126  127                                       
CONECT   47   52   52   48  128                                       
CONECT   48   47   49   49  129                                       
CONECT   49   48   48   50  130                                       
CONECT   50   51   51   49  131                                       
CONECT   51   52   19   50   50                                       
CONECT   52   47   47   51  132                                       
CONECT   53   10    1  133                                            
CONECT   54   20    2  134                                            
CONECT   55   20   23  135                                            
CONECT   56   43   42   41                                            
CONECT   57   12  136                                                 
CONECT   58   10   10                                                 
CONECT   59    6  137                                                 
CONECT   60    4   32                                                 
CONECT   61    8    8                                                 
CONECT   62   32   37                                                 
CONECT   63   36   39                                                 
CONECT   64   35   19                                                 
CONECT   65   19   19                                                 
CONECT   66   14  138                                                 
CONECT   67    9                                                      
CONECT   68    9                                                      
CONECT   69    9                                                      
CONECT   70   11                                                      
CONECT   71   11                                                      
CONECT   72   12                                                      
CONECT   73   13                                                      
CONECT   74   14                                                      
CONECT   75   15                                                      
CONECT   76   16                                                      
CONECT   77   17                                                      
CONECT   78   17                                                      
CONECT   79   18                                                      
CONECT   80   18                                                      
CONECT   81   18                                                      
CONECT   82   21                                                      
CONECT   83   21                                                      
CONECT   84   22                                                      
CONECT   85   25                                                      
CONECT   86   25                                                      
CONECT   87   26                                                      
CONECT   88   26                                                      
CONECT   89   27                                                      
CONECT   90   28                                                      
CONECT   91   28                                                      
CONECT   92   28                                                      
CONECT   93   29                                                      
CONECT   94   29                                                      
CONECT   95   29                                                      
CONECT   96   30                                                      
CONECT   97   30                                                      
CONECT   98   30                                                      
CONECT   99   33                                                      
CONECT  100   33                                                      
CONECT  101   33                                                      
CONECT  102   34                                                      
CONECT  103   35                                                      
CONECT  104   36                                                      
CONECT  105   37                                                      
CONECT  106   37                                                      
CONECT  107   38                                                      
CONECT  108   38                                                      
CONECT  109   38                                                      
CONECT  110   39                                                      
CONECT  111   39                                                      
CONECT  112   39                                                      
CONECT  113   40                                                      
CONECT  114   40                                                      
CONECT  115   41                                                      
CONECT  116   41                                                      
CONECT  117   42                                                      
CONECT  118   42                                                      
CONECT  119   43                                                      
CONECT  120   43                                                      
CONECT  121   44                                                      
CONECT  122   45                                                      
CONECT  123   45                                                      
CONECT  124   45                                                      
CONECT  125   46                                                      
CONECT  126   46                                                      
CONECT  127   46                                                      
CONECT  128   47                                                      
CONECT  129   48                                                      
CONECT  130   49                                                      
CONECT  131   50                                                      
CONECT  132   52                                                      
CONECT  133   53                                                      
CONECT  134   54                                                      
CONECT  135   55                                                      
CONECT  136   57                                                      
CONECT  137   59                                                      
CONECT  138   66                                                      
MASTER        0    0    0    0    0    0    0    0  138    0  138    0
END
