COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.756  -2.688  -1.402  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.928  -5.629  -0.124  1.00  0.00           C  
HETATM    3  C   UNL     1     -14.751   1.843  -0.456  1.00  0.00           C  
HETATM    4  C   UNL     1     -13.370   1.765  -0.450  1.00  0.00           C  
HETATM    5  C   UNL     1     -13.508  -0.584   0.041  1.00  0.00           C  
HETATM    6  C   UNL     1     -15.502   0.712  -0.211  1.00  0.00           C  
HETATM    7  C   UNL     1     -12.753   0.556  -0.203  1.00  0.00           C  
HETATM    8  C   UNL     1     -14.882  -0.507   0.036  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.989   4.176  -1.123  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.393   1.808  -0.716  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.937   1.580   0.727  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.345   2.321   2.504  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.612  -2.881  -1.084  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.041  -1.130  -0.593  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.108  -2.534  -1.245  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.468   5.669  -2.440  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.476   5.594  -1.278  1.00  0.00           C  
HETATM   18  O   UNL     1      -5.807   3.926  -1.231  1.00  0.00           O  
HETATM   19  N   UNL     1      -7.866   3.187  -0.866  1.00  0.00           N  
HETATM   20  C   UNL     1      -8.111   1.822   1.677  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.655   1.594   3.120  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.519   2.563   3.455  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.801   2.549   1.062  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.512   0.854  -1.046  1.00  0.00           C  
HETATM   25  O   UNL     1      -9.598   1.283  -1.374  1.00  0.00           O  
HETATM   26  N   UNL     1      -8.306  -0.476  -0.976  1.00  0.00           N  
HETATM   27  C   UNL     1      -9.304  -1.514  -1.270  1.00  0.00           C  
HETATM   28  C   UNL     1     -10.465  -1.394  -0.317  1.00  0.00           C  
HETATM   29  O   UNL     1     -10.342  -0.764   0.712  1.00  0.00           O  
HETATM   30  N   UNL     1     -11.641  -1.985  -0.608  1.00  0.00           N  
HETATM   31  C   UNL     1     -12.769  -1.868   0.318  1.00  0.00           C  
HETATM   32  C   UNL     1     -13.694  -3.069   0.140  1.00  0.00           C  
HETATM   33  C   UNL     1     -14.970  -2.828   0.943  1.00  0.00           C  
HETATM   34  C   UNL     1     -15.762  -1.705   0.277  1.00  0.00           C  
HETATM   35  N   UNL     1      -6.268  -3.490  -0.520  1.00  0.00           N  
HETATM   36  C   UNL     1      -4.994  -3.697  -0.908  1.00  0.00           C  
HETATM   37  O   UNL     1      -4.543  -3.091  -1.857  1.00  0.00           O  
HETATM   38  C   UNL     1      -4.129  -4.681  -0.162  1.00  0.00           C  
HETATM   39  O   UNL     1      -2.831  -4.722  -0.759  1.00  0.00           O  
HETATM   40  C   UNL     1      -0.578  -5.591  -0.841  1.00  0.00           C  
HETATM   41  N   UNL     1       0.027  -4.262  -0.677  1.00  0.00           N  
HETATM   42  C   UNL     1       1.204  -4.108  -1.543  1.00  0.00           C  
HETATM   43  N   UNL     1       2.103  -2.438   0.004  1.00  0.00           N  
HETATM   44  C   UNL     1       0.926  -2.592   0.870  1.00  0.00           C  
HETATM   45  C   UNL     1       0.374  -4.012   0.729  1.00  0.00           C  
HETATM   46  C   UNL     1       2.708  -1.109   0.169  1.00  0.00           C  
HETATM   47  C   UNL     1       3.272  -0.982   1.560  1.00  0.00           C  
HETATM   48  C   UNL     1       4.548  -0.651   1.733  1.00  0.00           C  
HETATM   49  C   UNL     1       5.098  -0.527   3.092  1.00  0.00           C  
HETATM   50  O   UNL     1       4.367  -0.640   4.056  1.00  0.00           O  
HETATM   51  N   UNL     1       6.413  -0.289   3.267  1.00  0.00           N  
HETATM   52  C   UNL     1       7.001  -0.288   4.613  1.00  0.00           C  
HETATM   53  C   UNL     1       7.751   1.031   4.823  1.00  0.00           C  
HETATM   54  C   UNL     1       8.767   1.220   3.693  1.00  0.00           C  
HETATM   55  C   UNL     1       8.034   1.289   2.352  1.00  0.00           C  
HETATM   56  C   UNL     1       7.288  -0.033   2.114  1.00  0.00           C  
HETATM   57  N   UNL     1       9.004   1.501   1.275  1.00  0.00           N  
HETATM   58  C   UNL     1       9.020   2.569   0.428  1.00  0.00           C  
HETATM   59  C   UNL     1      10.107   2.382  -0.446  1.00  0.00           C  
HETATM   60  C   UNL     1      10.739   1.122  -0.057  1.00  0.00           C  
HETATM   61  N   UNL     1      10.062   0.642   0.960  1.00  0.00           N  
HETATM   62  C   UNL     1      11.927   0.503  -0.692  1.00  0.00           C  
HETATM   63  C   UNL     1      13.051   1.279  -0.976  1.00  0.00           C  
HETATM   64  C   UNL     1      14.154   0.700  -1.566  1.00  0.00           C  
HETATM   65  C   UNL     1      14.148  -0.653  -1.878  1.00  0.00           C  
HETATM   66  C   UNL     1      13.031  -1.428  -1.596  1.00  0.00           C  
HETATM   67  C   UNL     1      11.926  -0.857  -1.000  1.00  0.00           C  
HETATM   68  O   UNL     1      15.237  -1.220  -2.460  1.00  0.00           O  
HETATM   69  C   UNL     1      16.381  -1.299  -1.731  1.00  0.00           C  
HETATM   70  C   UNL     1      16.381  -0.928  -0.394  1.00  0.00           C  
HETATM   71  C   UNL     1      17.545  -1.010   0.344  1.00  0.00           C  
HETATM   72  C   UNL     1      18.710  -1.461  -0.248  1.00  0.00           C  
HETATM   73  C   UNL     1      18.713  -1.832  -1.580  1.00  0.00           C  
HETATM   74  C   UNL     1      17.550  -1.758  -2.321  1.00  0.00           C  
HETATM   75  C   UNL     1      10.351   3.353  -1.431  1.00  0.00           C  
HETATM   76  N   UNL     1       9.542   4.407  -1.493  1.00  0.00           N  
HETATM   77  C   UNL     1       8.532   4.542  -0.651  1.00  0.00           C  
HETATM   78  N   UNL     1       8.266   3.659   0.286  1.00  0.00           N  
HETATM   79  N   UNL     1      11.405   3.217  -2.314  1.00  0.00           N  
HETATM   80  N   UNL     1      -6.334   6.477  -1.552  1.00  0.00           N  
HETATM   81  C   UNL     1      -6.622   7.856  -1.134  1.00  0.00           C  
HETATM   82  H   UNL     1       2.646  -2.580  -2.021  1.00  0.00           H  
HETATM   83  H   UNL     1       1.000  -1.970  -1.723  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.794  -5.339   0.918  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.336  -6.639  -0.170  1.00  0.00           H  
HETATM   86  H   UNL     1     -15.240   2.787  -0.647  1.00  0.00           H  
HETATM   87  H   UNL     1     -12.777   2.648  -0.640  1.00  0.00           H  
HETATM   88  H   UNL     1     -16.580   0.774  -0.211  1.00  0.00           H  
HETATM   89  H   UNL     1     -11.675   0.496  -0.204  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.556   1.636  -1.393  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.584   0.555   0.838  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.536   3.011   2.743  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.992   1.295   2.616  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.931  -3.583  -1.855  1.00  0.00           H  
HETATM   95  H   UNL     1      -8.813  -3.283  -0.091  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.973  -1.219   0.491  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.191  -0.570  -0.982  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.828  -2.491  -2.298  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.976   5.352  -3.359  1.00  0.00           H  
HETATM  100  H   UNL     1      -9.315   5.014  -2.237  1.00  0.00           H  
HETATM  101  H   UNL     1      -8.821   6.694  -2.552  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.968   5.911  -0.359  1.00  0.00           H  
HETATM  103  H   UNL     1      -8.812   3.387  -0.780  1.00  0.00           H  
HETATM  104  H   UNL     1      -8.463   2.848   1.566  1.00  0.00           H  
HETATM  105  H   UNL     1      -8.920   1.132   1.439  1.00  0.00           H  
HETATM  106  H   UNL     1      -8.491   1.767   3.797  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.302   0.569   3.231  1.00  0.00           H  
HETATM  108  H   UNL     1      -6.194   2.400   4.483  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.871   3.588   3.343  1.00  0.00           H  
HETATM  110  H   UNL     1      -4.964   2.376   0.384  1.00  0.00           H  
HETATM  111  H   UNL     1      -6.153   3.574   0.950  1.00  0.00           H  
HETATM  112  H   UNL     1      -9.653  -1.413  -2.298  1.00  0.00           H  
HETATM  113  H   UNL     1     -11.739  -2.488  -1.432  1.00  0.00           H  
HETATM  114  H   UNL     1     -12.394  -1.853   1.342  1.00  0.00           H  
HETATM  115  H   UNL     1     -13.941  -3.178  -0.917  1.00  0.00           H  
HETATM  116  H   UNL     1     -13.201  -3.973   0.497  1.00  0.00           H  
HETATM  117  H   UNL     1     -15.567  -3.740   0.966  1.00  0.00           H  
HETATM  118  H   UNL     1     -14.713  -2.532   1.960  1.00  0.00           H  
HETATM  119  H   UNL     1     -16.592  -1.418   0.924  1.00  0.00           H  
HETATM  120  H   UNL     1     -16.156  -2.059  -0.676  1.00  0.00           H  
HETATM  121  H   UNL     1      -6.629  -3.975   0.238  1.00  0.00           H  
HETATM  122  H   UNL     1      -4.041  -4.370   0.879  1.00  0.00           H  
HETATM  123  H   UNL     1      -4.582  -5.671  -0.209  1.00  0.00           H  
HETATM  124  H   UNL     1       0.082  -6.346  -0.414  1.00  0.00           H  
HETATM  125  H   UNL     1      -0.724  -5.795  -1.902  1.00  0.00           H  
HETATM  126  H   UNL     1       0.918  -4.286  -2.580  1.00  0.00           H  
HETATM  127  H   UNL     1       1.969  -4.827  -1.248  1.00  0.00           H  
HETATM  128  H   UNL     1       1.212  -2.414   1.907  1.00  0.00           H  
HETATM  129  H   UNL     1       0.161  -1.873   0.575  1.00  0.00           H  
HETATM  130  H   UNL     1      -0.516  -4.120   1.348  1.00  0.00           H  
HETATM  131  H   UNL     1       1.130  -4.729   1.050  1.00  0.00           H  
HETATM  132  H   UNL     1       3.508  -0.981  -0.561  1.00  0.00           H  
HETATM  133  H   UNL     1       1.948  -0.343   0.013  1.00  0.00           H  
HETATM  134  H   UNL     1       2.639  -1.161   2.417  1.00  0.00           H  
HETATM  135  H   UNL     1       5.180  -0.472   0.876  1.00  0.00           H  
HETATM  136  H   UNL     1       6.210  -0.380   5.357  1.00  0.00           H  
HETATM  137  H   UNL     1       7.693  -1.124   4.711  1.00  0.00           H  
HETATM  138  H   UNL     1       7.042   1.859   4.816  1.00  0.00           H  
HETATM  139  H   UNL     1       8.272   1.006   5.780  1.00  0.00           H  
HETATM  140  H   UNL     1       9.320   2.146   3.853  1.00  0.00           H  
HETATM  141  H   UNL     1       9.461   0.380   3.685  1.00  0.00           H  
HETATM  142  H   UNL     1       7.322   2.114   2.368  1.00  0.00           H  
HETATM  143  H   UNL     1       8.007  -0.845   2.007  1.00  0.00           H  
HETATM  144  H   UNL     1       6.685   0.045   1.210  1.00  0.00           H  
HETATM  145  H   UNL     1      13.056   2.331  -0.734  1.00  0.00           H  
HETATM  146  H   UNL     1      15.025   1.300  -1.786  1.00  0.00           H  
HETATM  147  H   UNL     1      13.029  -2.480  -1.839  1.00  0.00           H  
HETATM  148  H   UNL     1      11.057  -1.460  -0.781  1.00  0.00           H  
HETATM  149  H   UNL     1      15.471  -0.574   0.068  1.00  0.00           H  
HETATM  150  H   UNL     1      17.546  -0.720   1.385  1.00  0.00           H  
HETATM  151  H   UNL     1      19.620  -1.524   0.331  1.00  0.00           H  
HETATM  152  H   UNL     1      19.625  -2.184  -2.040  1.00  0.00           H  
HETATM  153  H   UNL     1      17.552  -2.053  -3.360  1.00  0.00           H  
HETATM  154  H   UNL     1       7.900   5.413  -0.737  1.00  0.00           H  
HETATM  155  H   UNL     1      11.929   2.401  -2.321  1.00  0.00           H  
HETATM  156  H   UNL     1      11.620   3.938  -2.927  1.00  0.00           H  
HETATM  157  H   UNL     1      -5.496   6.133  -1.108  1.00  0.00           H  
HETATM  158  H   UNL     1      -7.490   8.226  -1.680  1.00  0.00           H  
HETATM  159  H   UNL     1      -6.831   7.875  -0.064  1.00  0.00           H  
HETATM  160  H   UNL     1      -5.761   8.488  -1.348  1.00  0.00           H  
CONECT    1   42   43   82   83                                       
CONECT    2   39   40   84   85                                       
CONECT    3    6    6    4   86                                       
CONECT    4    7    7    3   87                                       
CONECT    5   31    8    8    7                                       
CONECT    6    8    3    3   88                                       
CONECT    7    5    4    4   89                                       
CONECT    8   34    5    5    6                                       
CONECT    9   18   18   19   17                                       
CONECT   10   24   19   11   90                                       
CONECT   11   10   23   20   91                                       
CONECT   12   23   22   92   93                                       
CONECT   13   15   27   94   95                                       
CONECT   14   15   26   96   97                                       
CONECT   15   13   35   14   98                                       
CONECT   16   17   99  100  101                                       
CONECT   17    9   16   80  102                                       
CONECT   18    9    9                                                 
CONECT   19   10    9  103                                            
CONECT   20   11   21  104  105                                       
CONECT   21   20   22  106  107                                       
CONECT   22   12   21  108  109                                       
CONECT   23   11   12  110  111                                       
CONECT   24   26   10   25   25                                       
CONECT   25   24   24                                                 
CONECT   26   14   27   24                                            
CONECT   27   13   26   28  112                                       
CONECT   28   27   30   29   29                                       
CONECT   29   28   28                                                 
CONECT   30   28   31  113                                            
CONECT   31   30   32    5  114                                       
CONECT   32   33   31  115  116                                       
CONECT   33   32   34  117  118                                       
CONECT   34   33    8  119  120                                       
CONECT   35   15   36  121                                            
CONECT   36   37   37   35   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   39  122  123                                       
CONECT   39   38    2                                                 
CONECT   40    2   41  124  125                                       
CONECT   41   40   42   45                                            
CONECT   42   41    1  126  127                                       
CONECT   43    1   44   46                                            
CONECT   44   45   43  128  129                                       
CONECT   45   41   44  130  131                                       
CONECT   46   43   47  132  133                                       
CONECT   47   46   48   48  134                                       
CONECT   48   47   47   49  135                                       
CONECT   49   48   51   50   50                                       
CONECT   50   49   49                                                 
CONECT   51   56   49   52                                            
CONECT   52   53   51  136  137                                       
CONECT   53   54   52  138  139                                       
CONECT   54   55   53  140  141                                       
CONECT   55   57   54   56  142                                       
CONECT   56   55   51  143  144                                       
CONECT   57   58   55   61                                            
CONECT   58   78   78   59   57                                       
CONECT   59   75   75   58   60                                       
CONECT   60   59   62   61   61                                       
CONECT   61   60   60   57                                            
CONECT   62   67   60   63   63                                       
CONECT   63   62   62   64  145                                       
CONECT   64   65   65   63  146                                       
CONECT   65   66   68   64   64                                       
CONECT   66   67   67   65  147                                       
CONECT   67   66   66   62  148                                       
CONECT   68   65   69                                                 
CONECT   69   68   74   74   70                                       
CONECT   70   69   71   71  149                                       
CONECT   71   70   70   72  150                                       
CONECT   72   73   73   71  151                                       
CONECT   73   74   72   72  152                                       
CONECT   74   69   69   73  153                                       
CONECT   75   76   79   59   59                                       
CONECT   76   77   77   75                                            
CONECT   77   76   76   78  154                                       
CONECT   78   77   58   58                                            
CONECT   79   75  155  156                                            
CONECT   80   17   81  157                                            
CONECT   81   80  158  159  160                                       
CONECT   82    1                                                      
CONECT   83    1                                                      
CONECT   84    2                                                      
CONECT   85    2                                                      
CONECT   86    3                                                      
CONECT   87    4                                                      
CONECT   88    6                                                      
CONECT   89    7                                                      
CONECT   90   10                                                      
CONECT   91   11                                                      
CONECT   92   12                                                      
CONECT   93   12                                                      
CONECT   94   13                                                      
CONECT   95   13                                                      
CONECT   96   14                                                      
CONECT   97   14                                                      
CONECT   98   15                                                      
CONECT   99   16                                                      
CONECT  100   16                                                      
CONECT  101   16                                                      
CONECT  102   17                                                      
CONECT  103   19                                                      
CONECT  104   20                                                      
CONECT  105   20                                                      
CONECT  106   21                                                      
CONECT  107   21                                                      
CONECT  108   22                                                      
CONECT  109   22                                                      
CONECT  110   23                                                      
CONECT  111   23                                                      
CONECT  112   27                                                      
CONECT  113   30                                                      
CONECT  114   31                                                      
CONECT  115   32                                                      
CONECT  116   32                                                      
CONECT  117   33                                                      
CONECT  118   33                                                      
CONECT  119   34                                                      
CONECT  120   34                                                      
CONECT  121   35                                                      
CONECT  122   38                                                      
CONECT  123   38                                                      
CONECT  124   40                                                      
CONECT  125   40                                                      
CONECT  126   42                                                      
CONECT  127   42                                                      
CONECT  128   44                                                      
CONECT  129   44                                                      
CONECT  130   45                                                      
CONECT  131   45                                                      
CONECT  132   46                                                      
CONECT  133   46                                                      
CONECT  134   47                                                      
CONECT  135   48                                                      
CONECT  136   52                                                      
CONECT  137   52                                                      
CONECT  138   53                                                      
CONECT  139   53                                                      
CONECT  140   54                                                      
CONECT  141   54                                                      
CONECT  142   55                                                      
CONECT  143   56                                                      
CONECT  144   56                                                      
CONECT  145   63                                                      
CONECT  146   64                                                      
CONECT  147   66                                                      
CONECT  148   67                                                      
CONECT  149   70                                                      
CONECT  150   71                                                      
CONECT  151   72                                                      
CONECT  152   73                                                      
CONECT  153   74                                                      
CONECT  154   77                                                      
CONECT  155   79                                                      
CONECT  156   79                                                      
CONECT  157   80                                                      
CONECT  158   81                                                      
CONECT  159   81                                                      
CONECT  160   81                                                      
MASTER        0    0    0    0    0    0    0    0  160    0  160    0
END
