COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -6.238   0.846  -0.314  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.120   1.066   0.632  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.052  -0.076   1.613  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.976  -0.501   1.975  1.00  0.00           O  
HETATM    5  C   UNL     1      -5.374   2.375   1.382  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.072   2.192   2.870  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.709   2.580   3.026  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.513   3.404   3.293  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.315   2.918   2.943  1.00  0.00           C  
HETATM   10  C   UNL     1       0.934   3.681   3.155  1.00  0.00           C  
HETATM   11  C   UNL     1       1.868   2.244   1.429  1.00  0.00           C  
HETATM   12  C   UNL     1       2.769   2.605   0.237  1.00  0.00           C  
HETATM   13  C   UNL     1       4.224   2.598   0.675  1.00  0.00           C  
HETATM   14  C   UNL     1       4.392   2.895   2.158  1.00  0.00           C  
HETATM   15  C   UNL     1       3.344   3.891   2.664  1.00  0.00           C  
HETATM   16  C   UNL     1       2.386   4.001  -0.268  1.00  0.00           C  
HETATM   17  C   UNL     1       3.169   4.315  -1.517  1.00  0.00           C  
HETATM   18  C   UNL     1       2.707   3.889  -2.748  1.00  0.00           C  
HETATM   19  C   UNL     1       3.425   4.177  -3.893  1.00  0.00           C  
HETATM   20  C   UNL     1       4.606   4.891  -3.807  1.00  0.00           C  
HETATM   21  C   UNL     1       5.068   5.317  -2.576  1.00  0.00           C  
HETATM   22  C   UNL     1       4.347   5.033  -1.431  1.00  0.00           C  
HETATM   23  C   UNL     1       2.530   1.604  -0.865  1.00  0.00           C  
HETATM   24  C   UNL     1       0.996   0.278  -2.209  1.00  0.00           C  
HETATM   25  C   UNL     1       0.861  -1.177  -1.756  1.00  0.00           C  
HETATM   26  C   UNL     1       2.176  -1.652  -1.195  1.00  0.00           C  
HETATM   27  C   UNL     1       2.446  -1.499   0.153  1.00  0.00           C  
HETATM   28  C   UNL     1       3.648  -1.932   0.673  1.00  0.00           C  
HETATM   29  C   UNL     1       4.593  -2.525  -0.164  1.00  0.00           C  
HETATM   30  C   UNL     1       5.887  -2.992   0.389  1.00  0.00           C  
HETATM   31  C   UNL     1       6.341  -4.281   0.105  1.00  0.00           C  
HETATM   32  C   UNL     1       5.516  -5.196  -0.762  1.00  0.00           C  
HETATM   33  C   UNL     1       7.543  -4.716   0.617  1.00  0.00           C  
HETATM   34  C   UNL     1       8.307  -3.867   1.421  1.00  0.00           C  
HETATM   35  C   UNL     1       9.596  -4.332   1.970  1.00  0.00           C  
HETATM   36  C   UNL     1       7.851  -2.576   1.704  1.00  0.00           C  
HETATM   37  C   UNL     1       6.653  -2.141   1.186  1.00  0.00           C  
HETATM   38  C   UNL     1       4.316  -2.677  -1.521  1.00  0.00           C  
HETATM   39  C   UNL     1       3.107  -2.245  -2.029  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.290   0.728  -2.855  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.930   0.158  -1.452  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.521  -0.320  -1.683  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.446  -1.075  -2.986  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.499  -0.741  -3.934  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.522   0.374  -3.674  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.452  -1.430  -5.135  1.00  0.00           C  
HETATM   47  C   UNL     1      -4.345  -2.455  -5.382  1.00  0.00           C  
HETATM   48  C   UNL     1      -5.286  -2.799  -4.428  1.00  0.00           C  
HETATM   49  C   UNL     1      -5.334  -2.109  -3.232  1.00  0.00           C  
HETATM   50  C   UNL     1      -6.124  -1.659   3.123  1.00  0.00           C  
HETATM   51  C   UNL     1      -7.542  -2.109   3.481  1.00  0.00           C  
HETATM   52  C   UNL     1      -9.474  -3.204   2.579  1.00  0.00           C  
HETATM   53  C   UNL     1     -10.013  -3.862   1.307  1.00  0.00           C  
HETATM   54  N   UNL     1      -3.954   3.094   3.237  1.00  0.00           N  
HETATM   55  N   UNL     1       2.020   3.293   2.459  1.00  0.00           N  
HETATM   56  N   UNL     1       1.255   1.149  -1.032  1.00  0.00           N  
HETATM   57  N   UNL     1      -1.257  -0.190  -3.148  1.00  0.00           N  
HETATM   58  N   UNL     1      -6.188  -0.624   2.088  1.00  0.00           N  
HETATM   59  N   UNL     1      -9.230  -5.069   1.011  1.00  0.00           N  
HETATM   60  O   UNL     1      10.333  -3.512   2.745  1.00  0.00           O  
HETATM   61  O   UNL     1       9.992  -5.453   1.723  1.00  0.00           O  
HETATM   62  O   UNL     1      -0.466   1.901  -3.112  1.00  0.00           O  
HETATM   63  O   UNL     1       3.436   1.219  -1.575  1.00  0.00           O  
HETATM   64  O   UNL     1       0.979   4.621   3.924  1.00  0.00           O  
HETATM   65  O   UNL     1      -2.583   1.442   2.618  1.00  0.00           O  
HETATM   66  O   UNL     1      -6.791  -0.068  -2.276  1.00  0.00           O  
HETATM   67  O   UNL     1      -8.141  -2.743   2.349  1.00  0.00           O  
HETATM   68  H   UNL     1      -7.135   1.168  -0.133  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.181   1.135   0.082  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.730   3.156   0.976  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.417   2.667   1.258  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.955   2.445   3.457  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.789   1.156   3.062  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.605   4.370   3.761  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.252   1.932   2.491  1.00  0.00           H  
HETATM   76  H   UNL     1       0.829   2.197   1.103  1.00  0.00           H  
HETATM   77  H   UNL     1       2.169   1.280   1.838  1.00  0.00           H  
HETATM   78  H   UNL     1       4.651   1.618   0.462  1.00  0.00           H  
HETATM   79  H   UNL     1       4.767   3.351   0.103  1.00  0.00           H  
HETATM   80  H   UNL     1       4.297   1.966   2.719  1.00  0.00           H  
HETATM   81  H   UNL     1       5.385   3.311   2.327  1.00  0.00           H  
HETATM   82  H   UNL     1       3.502   4.086   3.724  1.00  0.00           H  
HETATM   83  H   UNL     1       3.419   4.823   2.102  1.00  0.00           H  
HETATM   84  H   UNL     1       1.320   4.026  -0.492  1.00  0.00           H  
HETATM   85  H   UNL     1       2.614   4.740   0.499  1.00  0.00           H  
HETATM   86  H   UNL     1       1.784   3.332  -2.815  1.00  0.00           H  
HETATM   87  H   UNL     1       3.064   3.845  -4.855  1.00  0.00           H  
HETATM   88  H   UNL     1       5.167   5.116  -4.702  1.00  0.00           H  
HETATM   89  H   UNL     1       5.991   5.874  -2.509  1.00  0.00           H  
HETATM   90  H   UNL     1       4.706   5.369  -0.470  1.00  0.00           H  
HETATM   91  H   UNL     1       1.816   0.368  -2.921  1.00  0.00           H  
HETATM   92  H   UNL     1       0.091  -1.248  -0.988  1.00  0.00           H  
HETATM   93  H   UNL     1       0.583  -1.798  -2.608  1.00  0.00           H  
HETATM   94  H   UNL     1       1.713  -1.039   0.800  1.00  0.00           H  
HETATM   95  H   UNL     1       3.858  -1.811   1.725  1.00  0.00           H  
HETATM   96  H   UNL     1       5.800  -5.063  -1.805  1.00  0.00           H  
HETATM   97  H   UNL     1       5.690  -6.231  -0.467  1.00  0.00           H  
HETATM   98  H   UNL     1       4.459  -4.957  -0.640  1.00  0.00           H  
HETATM   99  H   UNL     1       7.894  -5.713   0.398  1.00  0.00           H  
HETATM  100  H   UNL     1       8.442  -1.919   2.326  1.00  0.00           H  
HETATM  101  H   UNL     1       6.302  -1.143   1.401  1.00  0.00           H  
HETATM  102  H   UNL     1       5.044  -3.136  -2.174  1.00  0.00           H  
HETATM  103  H   UNL     1       2.889  -2.366  -3.080  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.850   0.538  -1.722  1.00  0.00           H  
HETATM  105  H   UNL     1      -4.223  -0.977  -0.867  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.322   0.907  -4.604  1.00  0.00           H  
HETATM  107  H   UNL     1      -2.944   1.064  -2.943  1.00  0.00           H  
HETATM  108  H   UNL     1      -2.716  -1.165  -5.879  1.00  0.00           H  
HETATM  109  H   UNL     1      -4.309  -2.988  -6.321  1.00  0.00           H  
HETATM  110  H   UNL     1      -5.980  -3.604  -4.617  1.00  0.00           H  
HETATM  111  H   UNL     1      -6.068  -2.377  -2.486  1.00  0.00           H  
HETATM  112  H   UNL     1      -5.636  -1.256   4.010  1.00  0.00           H  
HETATM  113  H   UNL     1      -5.556  -2.511   2.750  1.00  0.00           H  
HETATM  114  H   UNL     1      -7.501  -2.814   4.312  1.00  0.00           H  
HETATM  115  H   UNL     1      -8.137  -1.242   3.769  1.00  0.00           H  
HETATM  116  H   UNL     1     -10.109  -2.360   2.848  1.00  0.00           H  
HETATM  117  H   UNL     1      -9.473  -3.931   3.391  1.00  0.00           H  
HETATM  118  H   UNL     1     -11.059  -4.133   1.453  1.00  0.00           H  
HETATM  119  H   UNL     1      -9.932  -3.163   0.474  1.00  0.00           H  
HETATM  120  H   UNL     1      -4.097   3.982   3.599  1.00  0.00           H  
HETATM  121  H   UNL     1       0.548   1.383  -0.410  1.00  0.00           H  
HETATM  122  H   UNL     1      -1.125  -1.143  -3.021  1.00  0.00           H  
HETATM  123  H   UNL     1      -7.047  -0.334   1.744  1.00  0.00           H  
HETATM  124  H   UNL     1      -9.237  -5.705   1.794  1.00  0.00           H  
HETATM  125  H   UNL     1      -9.567  -5.522   0.175  1.00  0.00           H  
HETATM  126  H   UNL     1      11.170  -3.861   3.081  1.00  0.00           H  
CONECT    1   41    2   68                                            
CONECT    2    3    1    5   69                                       
CONECT    3   58    4    4    2                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   70   71                                       
CONECT    6    5   54   72   73                                       
CONECT    7   54    8   65   65                                       
CONECT    8    7    9    9   74                                       
CONECT    9    8    8   10   75                                       
CONECT   10   64   64    9   55                                       
CONECT   11   55   12   76   77                                       
CONECT   12   23   11   13   16                                       
CONECT   13   14   12   78   79                                       
CONECT   14   15   13   80   81                                       
CONECT   15   55   14   82   83                                       
CONECT   16   12   17   84   85                                       
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   86                                       
CONECT   19   18   20   20   87                                       
CONECT   20   19   19   21   88                                       
CONECT   21   22   22   20   89                                       
CONECT   22   17   21   21   90                                       
CONECT   23   56   63   63   12                                       
CONECT   24   40   25   56   91                                       
CONECT   25   24   26   92   93                                       
CONECT   26   25   39   39   27                                       
CONECT   27   26   28   28   94                                       
CONECT   28   27   27   29   95                                       
CONECT   29   38   38   28   30                                       
CONECT   30   29   31   31   37                                       
CONECT   31   32   30   30   33                                       
CONECT   32   31   96   97   98                                       
CONECT   33   31   34   34   99                                       
CONECT   34   33   33   36   35                                       
CONECT   35   34   61   61   60                                       
CONECT   36   37   37   34  100                                       
CONECT   37   30   36   36  101                                       
CONECT   38   39   29   29  102                                       
CONECT   39   26   26   38  103                                       
CONECT   40   62   62   57   24                                       
CONECT   41   66   66    1   42                                       
CONECT   42   43   41  104  105                                       
CONECT   43   49   49   44   42                                       
CONECT   44   46   46   43   45                                       
CONECT   45   44   57  106  107                                       
CONECT   46   47   44   44  108                                       
CONECT   47   48   48   46  109                                       
CONECT   48   47   47   49  110                                       
CONECT   49   48   43   43  111                                       
CONECT   50   51   58  112  113                                       
CONECT   51   67   50  114  115                                       
CONECT   52   53   67  116  117                                       
CONECT   53   59   52  118  119                                       
CONECT   54    6    7  120                                            
CONECT   55   10   15   11                                            
CONECT   56   24   23  121                                            
CONECT   57   45   40  122                                            
CONECT   58   50    3  123                                            
CONECT   59   53  124  125                                            
CONECT   60   35  126                                                 
CONECT   61   35   35                                                 
CONECT   62   40   40                                                 
CONECT   63   23   23                                                 
CONECT   64   10   10                                                 
CONECT   65    7    7                                                 
CONECT   66   41   41                                                 
CONECT   67   52   51                                                 
CONECT   68    1                                                      
CONECT   69    2                                                      
CONECT   70    5                                                      
CONECT   71    5                                                      
CONECT   72    6                                                      
CONECT   73    6                                                      
CONECT   74    8                                                      
CONECT   75    9                                                      
CONECT   76   11                                                      
CONECT   77   11                                                      
CONECT   78   13                                                      
CONECT   79   13                                                      
CONECT   80   14                                                      
CONECT   81   14                                                      
CONECT   82   15                                                      
CONECT   83   15                                                      
CONECT   84   16                                                      
CONECT   85   16                                                      
CONECT   86   18                                                      
CONECT   87   19                                                      
CONECT   88   20                                                      
CONECT   89   21                                                      
CONECT   90   22                                                      
CONECT   91   24                                                      
CONECT   92   25                                                      
CONECT   93   25                                                      
CONECT   94   27                                                      
CONECT   95   28                                                      
CONECT   96   32                                                      
CONECT   97   32                                                      
CONECT   98   32                                                      
CONECT   99   33                                                      
CONECT  100   36                                                      
CONECT  101   37                                                      
CONECT  102   38                                                      
CONECT  103   39                                                      
CONECT  104   42                                                      
CONECT  105   42                                                      
CONECT  106   45                                                      
CONECT  107   45                                                      
CONECT  108   46                                                      
CONECT  109   47                                                      
CONECT  110   48                                                      
CONECT  111   49                                                      
CONECT  112   50                                                      
CONECT  113   50                                                      
CONECT  114   51                                                      
CONECT  115   51                                                      
CONECT  116   52                                                      
CONECT  117   52                                                      
CONECT  118   53                                                      
CONECT  119   53                                                      
CONECT  120   54                                                      
CONECT  121   56                                                      
CONECT  122   57                                                      
CONECT  123   58                                                      
CONECT  124   59                                                      
CONECT  125   59                                                      
CONECT  126   60                                                      
MASTER        0    0    0    0    0    0    0    0  126    0  126    0
END
