COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      22.774   0.928   0.277  1.00  0.00           C  
HETATM    2  O   UNL     1      22.900   1.650   1.243  1.00  0.00           O  
HETATM    3  C   UNL     1      23.993   0.383  -0.421  1.00  0.00           C  
HETATM    4  C   UNL     1      25.253   0.890   0.284  1.00  0.00           C  
HETATM    5  C   UNL     1      26.491   0.337  -0.425  1.00  0.00           C  
HETATM    6  C   UNL     1      27.751   0.844   0.280  1.00  0.00           C  
HETATM    7  C   UNL     1      28.989   0.292  -0.429  1.00  0.00           C  
HETATM    8  N   UNL     1      30.199   0.778   0.248  1.00  0.00           N  
HETATM    9  C   UNL     1      14.120   0.701  -0.155  1.00  0.00           C  
HETATM   10  O   UNL     1      14.216  -0.025  -1.122  1.00  0.00           O  
HETATM   11  C   UNL     1      15.361   1.205   0.536  1.00  0.00           C  
HETATM   12  C   UNL     1      16.599   0.657  -0.177  1.00  0.00           C  
HETATM   13  C   UNL     1      17.859   1.168   0.525  1.00  0.00           C  
HETATM   14  C   UNL     1      19.097   0.621  -0.188  1.00  0.00           C  
HETATM   15  C   UNL     1      20.357   1.132   0.514  1.00  0.00           C  
HETATM   16  N   UNL     1      21.543   0.608  -0.169  1.00  0.00           N  
HETATM   17  C   UNL     1       5.480   1.179   0.354  1.00  0.00           C  
HETATM   18  O   UNL     1       5.606   1.902   1.320  1.00  0.00           O  
HETATM   19  C   UNL     1       6.700   0.640  -0.348  1.00  0.00           C  
HETATM   20  C   UNL     1       7.960   1.151   0.354  1.00  0.00           C  
HETATM   21  C   UNL     1       9.198   0.604  -0.359  1.00  0.00           C  
HETATM   22  C   UNL     1      10.458   1.115   0.343  1.00  0.00           C  
HETATM   23  C   UNL     1      11.696   0.567  -0.370  1.00  0.00           C  
HETATM   24  N   UNL     1      12.903   1.057   0.302  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.174   0.953  -0.078  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.077   0.227  -1.045  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.933   1.456   0.613  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.694   0.909  -0.100  1.00  0.00           C  
HETATM   29  C   UNL     1       0.566   1.420   0.602  1.00  0.00           C  
HETATM   30  C   UNL     1       1.804   0.872  -0.111  1.00  0.00           C  
HETATM   31  C   UNL     1       3.064   1.384   0.591  1.00  0.00           C  
HETATM   32  N   UNL     1       4.249   0.859  -0.092  1.00  0.00           N  
HETATM   33  O   UNL     1      -6.557   2.764   0.637  1.00  0.00           O  
HETATM   34  C   UNL     1      -6.736   1.773  -0.038  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.597   0.819  -0.293  1.00  0.00           C  
HETATM   36  N   UNL     1      -4.391   1.309   0.379  1.00  0.00           N  
HETATM   37  C   UNL     1      -5.959  -0.564   0.253  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.874  -1.546  -0.109  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.946  -2.245  -1.300  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.954  -3.147  -1.634  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.884  -3.349  -0.774  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.814  -2.646   0.420  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.807  -1.742   0.747  1.00  0.00           C  
HETATM   44  O   UNL     1      -1.907  -4.235  -1.100  1.00  0.00           O  
HETATM   45  C   UNL     1      -0.836  -4.393  -0.167  1.00  0.00           C  
HETATM   46  C   UNL     1       0.145  -5.408  -0.694  1.00  0.00           C  
HETATM   47  C   UNL     1      -0.016  -6.747  -0.391  1.00  0.00           C  
HETATM   48  C   UNL     1       0.883  -7.679  -0.874  1.00  0.00           C  
HETATM   49  C   UNL     1       1.944  -7.271  -1.662  1.00  0.00           C  
HETATM   50  C   UNL     1       2.105  -5.932  -1.966  1.00  0.00           C  
HETATM   51  C   UNL     1       1.202  -5.001  -1.486  1.00  0.00           C  
HETATM   52  N   UNL     1      -7.953   1.524  -0.562  1.00  0.00           N  
HETATM   53  C   UNL     1      -9.060   2.451  -0.315  1.00  0.00           C  
HETATM   54  C   UNL     1     -10.369   1.715  -0.440  1.00  0.00           C  
HETATM   55  O   UNL     1     -10.376   0.533  -0.709  1.00  0.00           O  
HETATM   56  C   UNL     1      -9.013   3.587  -1.339  1.00  0.00           C  
HETATM   57  N   UNL     1     -11.531   2.371  -0.253  1.00  0.00           N  
HETATM   58  C   UNL     1     -12.804   1.656  -0.375  1.00  0.00           C  
HETATM   59  C   UNL     1     -13.139   0.982   0.957  1.00  0.00           C  
HETATM   60  C   UNL     1     -12.097  -0.096   1.260  1.00  0.00           C  
HETATM   61  O   UNL     1     -10.800   0.489   1.402  1.00  0.00           O  
HETATM   62  C   UNL     1     -12.090  -1.149   0.172  1.00  0.00           C  
HETATM   63  O   UNL     1     -11.838  -0.971  -1.001  1.00  0.00           O  
HETATM   64  N   UNL     1     -12.416  -2.317   0.750  1.00  0.00           N  
HETATM   65  C   UNL     1     -12.647  -2.183   2.120  1.00  0.00           C  
HETATM   66  C   UNL     1     -13.002  -3.127   3.081  1.00  0.00           C  
HETATM   67  C   UNL     1     -13.176  -2.746   4.395  1.00  0.00           C  
HETATM   68  C   UNL     1     -12.999  -1.427   4.770  1.00  0.00           C  
HETATM   69  C   UNL     1     -12.646  -0.483   3.821  1.00  0.00           C  
HETATM   70  C   UNL     1     -12.472  -0.861   2.508  1.00  0.00           C  
HETATM   71  C   UNL     1     -13.896   2.631  -0.733  1.00  0.00           C  
HETATM   72  O   UNL     1     -13.636   3.807  -0.873  1.00  0.00           O  
HETATM   73  N   UNL     1     -15.160   2.195  -0.898  1.00  0.00           N  
HETATM   74  C   UNL     1     -16.222   3.143  -1.247  1.00  0.00           C  
HETATM   75  C   UNL     1     -17.531   2.407  -1.372  1.00  0.00           C  
HETATM   76  C   UNL     1     -18.347   2.256  -0.267  1.00  0.00           C  
HETATM   77  C   UNL     1     -19.548   1.580  -0.382  1.00  0.00           C  
HETATM   78  C   UNL     1     -19.933   1.057  -1.602  1.00  0.00           C  
HETATM   79  C   UNL     1     -19.117   1.210  -2.707  1.00  0.00           C  
HETATM   80  C   UNL     1     -17.918   1.889  -2.593  1.00  0.00           C  
HETATM   81  H   UNL     1      23.973  -0.706  -0.390  1.00  0.00           H  
HETATM   82  H   UNL     1      23.998   0.718  -1.458  1.00  0.00           H  
HETATM   83  H   UNL     1      25.273   1.980   0.253  1.00  0.00           H  
HETATM   84  H   UNL     1      25.249   0.556   1.321  1.00  0.00           H  
HETATM   85  H   UNL     1      26.471  -0.752  -0.394  1.00  0.00           H  
HETATM   86  H   UNL     1      26.496   0.672  -1.462  1.00  0.00           H  
HETATM   87  H   UNL     1      27.771   1.934   0.250  1.00  0.00           H  
HETATM   88  H   UNL     1      27.747   0.510   1.317  1.00  0.00           H  
HETATM   89  H   UNL     1      28.969  -0.798  -0.398  1.00  0.00           H  
HETATM   90  H   UNL     1      28.994   0.626  -1.466  1.00  0.00           H  
HETATM   91  H   UNL     1      30.188   0.536   1.227  1.00  0.00           H  
HETATM   92  H   UNL     1      31.031   0.427  -0.202  1.00  0.00           H  
HETATM   93  H   UNL     1      15.377   2.294   0.506  1.00  0.00           H  
HETATM   94  H   UNL     1      15.361   0.870   1.573  1.00  0.00           H  
HETATM   95  H   UNL     1      16.583  -0.433  -0.147  1.00  0.00           H  
HETATM   96  H   UNL     1      16.599   0.992  -1.214  1.00  0.00           H  
HETATM   97  H   UNL     1      17.875   2.258   0.495  1.00  0.00           H  
HETATM   98  H   UNL     1      17.859   0.834   1.562  1.00  0.00           H  
HETATM   99  H   UNL     1      19.081  -0.469  -0.158  1.00  0.00           H  
HETATM  100  H   UNL     1      19.097   0.956  -1.225  1.00  0.00           H  
HETATM  101  H   UNL     1      20.373   2.221   0.484  1.00  0.00           H  
HETATM  102  H   UNL     1      20.357   0.797   1.551  1.00  0.00           H  
HETATM  103  H   UNL     1      21.442   0.030  -0.941  1.00  0.00           H  
HETATM  104  H   UNL     1       6.684  -0.449  -0.317  1.00  0.00           H  
HETATM  105  H   UNL     1       6.700   0.975  -1.385  1.00  0.00           H  
HETATM  106  H   UNL     1       7.976   2.241   0.324  1.00  0.00           H  
HETATM  107  H   UNL     1       7.960   0.816   1.391  1.00  0.00           H  
HETATM  108  H   UNL     1       9.182  -0.486  -0.329  1.00  0.00           H  
HETATM  109  H   UNL     1       9.198   0.938  -1.396  1.00  0.00           H  
HETATM  110  H   UNL     1      10.474   2.204   0.313  1.00  0.00           H  
HETATM  111  H   UNL     1      10.458   0.780   1.380  1.00  0.00           H  
HETATM  112  H   UNL     1      11.681  -0.522  -0.340  1.00  0.00           H  
HETATM  113  H   UNL     1      11.697   0.902  -1.407  1.00  0.00           H  
HETATM  114  H   UNL     1      12.826   1.637   1.075  1.00  0.00           H  
HETATM  115  H   UNL     1      -1.917   2.546   0.583  1.00  0.00           H  
HETATM  116  H   UNL     1      -1.933   1.121   1.650  1.00  0.00           H  
HETATM  117  H   UNL     1      -0.710  -0.181  -0.070  1.00  0.00           H  
HETATM  118  H   UNL     1      -0.694   1.243  -1.137  1.00  0.00           H  
HETATM  119  H   UNL     1       0.581   2.510   0.572  1.00  0.00           H  
HETATM  120  H   UNL     1       0.565   1.085   1.639  1.00  0.00           H  
HETATM  121  H   UNL     1       1.788  -0.217  -0.081  1.00  0.00           H  
HETATM  122  H   UNL     1       1.804   1.207  -1.148  1.00  0.00           H  
HETATM  123  H   UNL     1       3.079   2.473   0.561  1.00  0.00           H  
HETATM  124  H   UNL     1       3.064   1.049   1.628  1.00  0.00           H  
HETATM  125  H   UNL     1       4.149   0.281  -0.864  1.00  0.00           H  
HETATM  126  H   UNL     1      -5.413   0.750  -1.365  1.00  0.00           H  
HETATM  127  H   UNL     1      -4.468   1.889   1.152  1.00  0.00           H  
HETATM  128  H   UNL     1      -6.055  -0.513   1.337  1.00  0.00           H  
HETATM  129  H   UNL     1      -6.904  -0.890  -0.182  1.00  0.00           H  
HETATM  130  H   UNL     1      -5.779  -2.087  -1.969  1.00  0.00           H  
HETATM  131  H   UNL     1      -4.010  -3.693  -2.564  1.00  0.00           H  
HETATM  132  H   UNL     1      -1.983  -2.802   1.091  1.00  0.00           H  
HETATM  133  H   UNL     1      -3.750  -1.191   1.674  1.00  0.00           H  
HETATM  134  H   UNL     1      -0.331  -3.437  -0.029  1.00  0.00           H  
HETATM  135  H   UNL     1      -1.234  -4.734   0.789  1.00  0.00           H  
HETATM  136  H   UNL     1      -0.845  -7.065   0.224  1.00  0.00           H  
HETATM  137  H   UNL     1       0.758  -8.724  -0.637  1.00  0.00           H  
HETATM  138  H   UNL     1       2.648  -7.999  -2.039  1.00  0.00           H  
HETATM  139  H   UNL     1       2.934  -5.614  -2.581  1.00  0.00           H  
HETATM  140  H   UNL     1       1.325  -3.956  -1.727  1.00  0.00           H  
HETATM  141  H   UNL     1      -8.095   0.731  -1.102  1.00  0.00           H  
HETATM  142  H   UNL     1      -8.970   2.865   0.690  1.00  0.00           H  
HETATM  143  H   UNL     1      -9.836   4.277  -1.155  1.00  0.00           H  
HETATM  144  H   UNL     1      -8.066   4.119  -1.248  1.00  0.00           H  
HETATM  145  H   UNL     1      -9.102   3.173  -2.344  1.00  0.00           H  
HETATM  146  H   UNL     1     -12.722   0.899  -1.155  1.00  0.00           H  
HETATM  147  H   UNL     1     -13.134   1.726   1.753  1.00  0.00           H  
HETATM  148  H   UNL     1     -14.127   0.524   0.894  1.00  0.00           H  
HETATM  149  H   UNL     1     -10.100  -0.149   1.595  1.00  0.00           H  
HETATM  150  H   UNL     1     -12.484  -3.158   0.270  1.00  0.00           H  
HETATM  151  H   UNL     1     -13.142  -4.160   2.796  1.00  0.00           H  
HETATM  152  H   UNL     1     -13.451  -3.482   5.136  1.00  0.00           H  
HETATM  153  H   UNL     1     -13.136  -1.133   5.800  1.00  0.00           H  
HETATM  154  H   UNL     1     -12.507   0.548   4.110  1.00  0.00           H  
HETATM  155  H   UNL     1     -11.525   3.317  -0.037  1.00  0.00           H  
HETATM  156  H   UNL     1     -15.368   1.254  -0.786  1.00  0.00           H  
HETATM  157  H   UNL     1     -16.304   3.900  -0.467  1.00  0.00           H  
HETATM  158  H   UNL     1     -15.983   3.624  -2.195  1.00  0.00           H  
HETATM  159  H   UNL     1     -18.047   2.664   0.687  1.00  0.00           H  
HETATM  160  H   UNL     1     -20.185   1.461   0.482  1.00  0.00           H  
HETATM  161  H   UNL     1     -20.871   0.529  -1.692  1.00  0.00           H  
HETATM  162  H   UNL     1     -19.417   0.801  -3.661  1.00  0.00           H  
HETATM  163  H   UNL     1     -17.283   2.011  -3.458  1.00  0.00           H  
CONECT    1    2    2    3   16                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   81   82                                       
CONECT    4    3    5   83   84                                       
CONECT    5    4    6   85   86                                       
CONECT    6    5    7   87   88                                       
CONECT    7    6    8   89   90                                       
CONECT    8    7   91   92                                            
CONECT    9   10   10   11   24                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   93   94                                       
CONECT   12   11   13   95   96                                       
CONECT   13   12   14   97   98                                       
CONECT   14   13   15   99  100                                       
CONECT   15   14   16  101  102                                       
CONECT   16   15  103    1                                            
CONECT   17   18   18   19   32                                       
CONECT   18   17   17                                                 
CONECT   19   17   20  104  105                                       
CONECT   20   19   21  106  107                                       
CONECT   21   20   22  108  109                                       
CONECT   22   21   23  110  111                                       
CONECT   23   22   24  112  113                                       
CONECT   24   23  114    9                                            
CONECT   25   26   26   27   36                                       
CONECT   26   25   25                                                 
CONECT   27   25   28  115  116                                       
CONECT   28   27   29  117  118                                       
CONECT   29   28   30  119  120                                       
CONECT   30   29   31  121  122                                       
CONECT   31   30   32  123  124                                       
CONECT   32   31  125   17                                            
CONECT   33   34   34                                                 
CONECT   34   33   33   35   52                                       
CONECT   35   34   37   36  126                                       
CONECT   36   35  127   25                                            
CONECT   37   35   38  128  129                                       
CONECT   38   37   43   43   39                                       
CONECT   39   38   40   40  130                                       
CONECT   40   39   39   41  131                                       
CONECT   41   40   42   42   44                                       
CONECT   42   41   41   43  132                                       
CONECT   43   38   38   42  133                                       
CONECT   44   41   45                                                 
CONECT   45   44   46  134  135                                       
CONECT   46   45   47   47   51                                       
CONECT   47   46   46   48  136                                       
CONECT   48   47   49   49  137                                       
CONECT   49   48   48   50  138                                       
CONECT   50   49   51   51  139                                       
CONECT   51   46   50   50  140                                       
CONECT   52   53  141   34                                            
CONECT   53   52   54   56  142                                       
CONECT   54   53   55   55   57                                       
CONECT   55   54   54                                                 
CONECT   56   53  143  144  145                                       
CONECT   57   58  155   54                                            
CONECT   58   57   71   59  146                                       
CONECT   59   58   60  147  148                                       
CONECT   60   59   61   70   62                                       
CONECT   61   60  149                                                 
CONECT   62   60   63   63   64                                       
CONECT   63   62   62                                                 
CONECT   64   62   65  150                                            
CONECT   65   64   70   70   66                                       
CONECT   66   65   67   67  151                                       
CONECT   67   66   66   68  152                                       
CONECT   68   67   69   69  153                                       
CONECT   69   68   68   70  154                                       
CONECT   70   60   65   65   69                                       
CONECT   71   58   72   72   73                                       
CONECT   72   71   71                                                 
CONECT   73   74  156   71                                            
CONECT   74   73   75  157  158                                       
CONECT   75   74   76   76   80                                       
CONECT   76   75   75   77  159                                       
CONECT   77   76   78   78  160                                       
CONECT   78   77   77   79  161                                       
CONECT   79   78   80   80  162                                       
CONECT   80   75   79   79  163                                       
CONECT   81    3                                                      
CONECT   82    3                                                      
CONECT   83    4                                                      
CONECT   84    4                                                      
CONECT   85    5                                                      
CONECT   86    5                                                      
CONECT   87    6                                                      
CONECT   88    6                                                      
CONECT   89    7                                                      
CONECT   90    7                                                      
CONECT   91    8                                                      
CONECT   92    8                                                      
CONECT   93   11                                                      
CONECT   94   11                                                      
CONECT   95   12                                                      
CONECT   96   12                                                      
CONECT   97   13                                                      
CONECT   98   13                                                      
CONECT   99   14                                                      
CONECT  100   14                                                      
CONECT  101   15                                                      
CONECT  102   15                                                      
CONECT  103   16                                                      
CONECT  104   19                                                      
CONECT  105   19                                                      
CONECT  106   20                                                      
CONECT  107   20                                                      
CONECT  108   21                                                      
CONECT  109   21                                                      
CONECT  110   22                                                      
CONECT  111   22                                                      
CONECT  112   23                                                      
CONECT  113   23                                                      
CONECT  114   24                                                      
CONECT  115   27                                                      
CONECT  116   27                                                      
CONECT  117   28                                                      
CONECT  118   28                                                      
CONECT  119   29                                                      
CONECT  120   29                                                      
CONECT  121   30                                                      
CONECT  122   30                                                      
CONECT  123   31                                                      
CONECT  124   31                                                      
CONECT  125   32                                                      
CONECT  126   35                                                      
CONECT  127   36                                                      
CONECT  128   37                                                      
CONECT  129   37                                                      
CONECT  130   39                                                      
CONECT  131   40                                                      
CONECT  132   42                                                      
CONECT  133   43                                                      
CONECT  134   45                                                      
CONECT  135   45                                                      
CONECT  136   47                                                      
CONECT  137   48                                                      
CONECT  138   49                                                      
CONECT  139   50                                                      
CONECT  140   51                                                      
CONECT  141   52                                                      
CONECT  142   53                                                      
CONECT  143   56                                                      
CONECT  144   56                                                      
CONECT  145   56                                                      
CONECT  146   58                                                      
CONECT  147   59                                                      
CONECT  148   59                                                      
CONECT  149   61                                                      
CONECT  150   64                                                      
CONECT  151   66                                                      
CONECT  152   67                                                      
CONECT  153   68                                                      
CONECT  154   69                                                      
CONECT  155   57                                                      
CONECT  156   73                                                      
CONECT  157   74                                                      
CONECT  158   74                                                      
CONECT  159   76                                                      
CONECT  160   77                                                      
CONECT  161   78                                                      
CONECT  162   79                                                      
CONECT  163   80                                                      
MASTER        0    0    0    0    0    0    0    0  163    0  163    0
END
