COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.715   2.311   1.170  1.00  0.00           C  
HETATM    2  C   UNL     1      12.422   3.029   2.329  1.00  0.00           C  
HETATM    3  C   UNL     1      13.618   2.237   2.799  1.00  0.00           C  
HETATM    4  C   UNL     1      13.690   1.706   4.028  1.00  0.00           C  
HETATM    5  C   UNL     1      14.771   0.878   4.508  1.00  0.00           C  
HETATM    6  C   UNL     1      14.756   0.128   5.624  1.00  0.00           C  
HETATM    7  C   UNL     1      13.624  -0.125   6.598  1.00  0.00           C  
HETATM    8  C   UNL     1      13.597   0.951   7.680  1.00  0.00           C  
HETATM    9  C   UNL     1      11.274  -0.714   6.482  1.00  0.00           C  
HETATM   10  C   UNL     1      10.087  -0.612   5.547  1.00  0.00           C  
HETATM   11  C   UNL     1       9.481   0.795   5.554  1.00  0.00           C  
HETATM   12  C   UNL     1      10.046   3.038   5.070  1.00  0.00           C  
HETATM   13  C   UNL     1      10.995   3.835   5.912  1.00  0.00           C  
HETATM   14  C   UNL     1       8.175   0.926   4.752  1.00  0.00           C  
HETATM   15  C   UNL     1       6.975   0.884   6.772  1.00  0.00           C  
HETATM   16  C   UNL     1       8.147   0.304   3.338  1.00  0.00           C  
HETATM   17  C   UNL     1       9.256   0.732   2.335  1.00  0.00           C  
HETATM   18  C   UNL     1       9.100  -0.099   1.048  1.00  0.00           C  
HETATM   19  C   UNL     1       9.147  -1.573   1.325  1.00  0.00           C  
HETATM   20  C   UNL     1       9.244   2.249   2.020  1.00  0.00           C  
HETATM   21  C   UNL     1      10.242   2.735   0.936  1.00  0.00           C  
HETATM   22  C   UNL     1      10.104   4.255   0.758  1.00  0.00           C  
HETATM   23  O   UNL     1      12.465   2.585  -0.021  1.00  0.00           O  
HETATM   24  O   UNL     1      12.369  -0.165   5.886  1.00  0.00           O  
HETATM   25  O   UNL     1      11.228  -1.214   7.597  1.00  0.00           O  
HETATM   26  O   UNL     1      10.429   1.724   5.050  1.00  0.00           O  
HETATM   27  O   UNL     1       9.076   3.513   4.493  1.00  0.00           O  
HETATM   28  O   UNL     1       7.135   0.280   5.501  1.00  0.00           O  
HETATM   29  O   UNL     1       8.255  -2.375   1.072  1.00  0.00           O  
HETATM   30  C   UNL     1       5.892  -0.346   3.132  1.00  0.00           C  
HETATM   31  C   UNL     1       4.768   0.332   3.921  1.00  0.00           C  
HETATM   32  C   UNL     1       3.805   1.134   3.032  1.00  0.00           C  
HETATM   33  C   UNL     1       3.389   0.320   1.796  1.00  0.00           C  
HETATM   34  C   UNL     1       4.546  -0.411   1.099  1.00  0.00           C  
HETATM   35  C   UNL     1       5.356   0.464   0.147  1.00  0.00           C  
HETATM   36  C   UNL     1       4.809   3.170   3.809  1.00  0.00           C  
HETATM   37  O   UNL     1       6.872   0.613   2.753  1.00  0.00           O  
HETATM   38  O   UNL     1       4.012  -0.673   4.601  1.00  0.00           O  
HETATM   39  N   UNL     1       4.416   2.401   2.631  1.00  0.00           N  
HETATM   40  O   UNL     1       5.388  -1.099   2.027  1.00  0.00           O  
HETATM   41  C   UNL     1       1.491  -0.937   1.169  1.00  0.00           C  
HETATM   42  C   UNL     1       1.028  -2.395   1.248  1.00  0.00           C  
HETATM   43  C   UNL     1       0.089  -2.651   2.440  1.00  0.00           C  
HETATM   44  C   UNL     1      -1.022  -1.582   2.455  1.00  0.00           C  
HETATM   45  C   UNL     1      -0.444  -0.164   2.350  1.00  0.00           C  
HETATM   46  C   UNL     1      -1.547   0.885   2.233  1.00  0.00           C  
HETATM   47  C   UNL     1      -0.484  -4.068   2.366  1.00  0.00           C  
HETATM   48  O   UNL     1       2.427  -0.662   2.206  1.00  0.00           O  
HETATM   49  O   UNL     1       0.841  -2.590   3.656  1.00  0.00           O  
HETATM   50  O   UNL     1      -1.805  -1.680   3.640  1.00  0.00           O  
HETATM   51  O   UNL     1       0.378  -0.044   1.185  1.00  0.00           O  
HETATM   52  C   UNL     1      -1.132  -1.487   4.816  1.00  0.00           C  
HETATM   53  C   UNL     1      -1.772  -2.326   5.902  1.00  0.00           C  
HETATM   54  C   UNL     1      -2.829  -1.560   6.713  1.00  0.00           C  
HETATM   55  C   UNL     1      -2.233  -0.314   7.373  1.00  0.00           C  
HETATM   56  C   UNL     1      -3.994  -1.158   5.807  1.00  0.00           C  
HETATM   57  O   UNL     1      -0.149  -0.774   4.964  1.00  0.00           O  
HETATM   58  C   UNL     1       3.492   3.169   1.800  1.00  0.00           C  
HETATM   59  H   UNL     1      11.766   1.227   1.316  1.00  0.00           H  
HETATM   60  H   UNL     1      11.730   3.184   3.163  1.00  0.00           H  
HETATM   61  H   UNL     1      12.778   4.017   2.012  1.00  0.00           H  
HETATM   62  H   UNL     1      14.418   2.069   2.082  1.00  0.00           H  
HETATM   63  H   UNL     1      12.881   1.905   4.719  1.00  0.00           H  
HETATM   64  H   UNL     1      15.682   0.883   3.913  1.00  0.00           H  
HETATM   65  H   UNL     1      15.678  -0.403   5.864  1.00  0.00           H  
HETATM   66  H   UNL     1      13.788  -1.110   7.052  1.00  0.00           H  
HETATM   67  H   UNL     1      12.685   0.870   8.279  1.00  0.00           H  
HETATM   68  H   UNL     1      14.458   0.847   8.347  1.00  0.00           H  
HETATM   69  H   UNL     1      13.627   1.948   7.231  1.00  0.00           H  
HETATM   70  H   UNL     1      10.431  -0.914   4.552  1.00  0.00           H  
HETATM   71  H   UNL     1       9.348  -1.355   5.868  1.00  0.00           H  
HETATM   72  H   UNL     1       9.291   1.074   6.599  1.00  0.00           H  
HETATM   73  H   UNL     1      12.001   3.783   5.488  1.00  0.00           H  
HETATM   74  H   UNL     1      10.989   3.456   6.937  1.00  0.00           H  
HETATM   75  H   UNL     1      10.676   4.881   5.926  1.00  0.00           H  
HETATM   76  H   UNL     1       7.888   1.982   4.675  1.00  0.00           H  
HETATM   77  H   UNL     1       6.893   0.108   7.537  1.00  0.00           H  
HETATM   78  H   UNL     1       6.076   1.506   6.771  1.00  0.00           H  
HETATM   79  H   UNL     1       7.847   1.508   6.981  1.00  0.00           H  
HETATM   80  H   UNL     1       8.167  -0.788   3.439  1.00  0.00           H  
HETATM   81  H   UNL     1      10.226   0.473   2.769  1.00  0.00           H  
HETATM   82  H   UNL     1       8.145   0.140   0.588  1.00  0.00           H  
HETATM   83  H   UNL     1       9.905   0.155   0.364  1.00  0.00           H  
HETATM   84  H   UNL     1      10.086  -1.913   1.796  1.00  0.00           H  
HETATM   85  H   UNL     1       9.420   2.812   2.942  1.00  0.00           H  
HETATM   86  H   UNL     1       8.235   2.533   1.692  1.00  0.00           H  
HETATM   87  H   UNL     1       9.926   2.302  -0.023  1.00  0.00           H  
HETATM   88  H   UNL     1      10.606   4.785   1.573  1.00  0.00           H  
HETATM   89  H   UNL     1      10.554   4.573  -0.188  1.00  0.00           H  
HETATM   90  H   UNL     1       9.050   4.548   0.754  1.00  0.00           H  
HETATM   91  H   UNL     1      12.194   1.917  -0.667  1.00  0.00           H  
HETATM   92  H   UNL     1       6.398  -1.069   3.780  1.00  0.00           H  
HETATM   93  H   UNL     1       5.191   0.983   4.695  1.00  0.00           H  
HETATM   94  H   UNL     1       2.905   1.366   3.615  1.00  0.00           H  
HETATM   95  H   UNL     1       2.863   0.958   1.076  1.00  0.00           H  
HETATM   96  H   UNL     1       4.113  -1.204   0.477  1.00  0.00           H  
HETATM   97  H   UNL     1       4.851   1.420  -0.021  1.00  0.00           H  
HETATM   98  H   UNL     1       6.348   0.667   0.562  1.00  0.00           H  
HETATM   99  H   UNL     1       5.482  -0.033  -0.819  1.00  0.00           H  
HETATM  100  H   UNL     1       5.371   2.536   4.501  1.00  0.00           H  
HETATM  101  H   UNL     1       3.923   3.552   4.323  1.00  0.00           H  
HETATM  102  H   UNL     1       5.437   4.015   3.517  1.00  0.00           H  
HETATM  103  H   UNL     1       3.722  -1.304   3.925  1.00  0.00           H  
HETATM  104  H   UNL     1       2.016  -0.780   0.221  1.00  0.00           H  
HETATM  105  H   UNL     1       0.492  -2.638   0.322  1.00  0.00           H  
HETATM  106  H   UNL     1       1.906  -3.049   1.322  1.00  0.00           H  
HETATM  107  H   UNL     1      -1.688  -1.758   1.601  1.00  0.00           H  
HETATM  108  H   UNL     1       0.145   0.084   3.242  1.00  0.00           H  
HETATM  109  H   UNL     1      -1.951   1.130   3.220  1.00  0.00           H  
HETATM  110  H   UNL     1      -1.158   1.804   1.783  1.00  0.00           H  
HETATM  111  H   UNL     1      -2.365   0.515   1.608  1.00  0.00           H  
HETATM  112  H   UNL     1       0.321  -4.804   2.280  1.00  0.00           H  
HETATM  113  H   UNL     1      -1.063  -4.296   3.266  1.00  0.00           H  
HETATM  114  H   UNL     1      -1.141  -4.173   1.498  1.00  0.00           H  
HETATM  115  H   UNL     1       1.731  -2.302   3.408  1.00  0.00           H  
HETATM  116  H   UNL     1      -2.230  -3.210   5.443  1.00  0.00           H  
HETATM  117  H   UNL     1      -0.962  -2.660   6.560  1.00  0.00           H  
HETATM  118  H   UNL     1      -3.225  -2.210   7.503  1.00  0.00           H  
HETATM  119  H   UNL     1      -1.828   0.377   6.625  1.00  0.00           H  
HETATM  120  H   UNL     1      -2.996   0.222   7.947  1.00  0.00           H  
HETATM  121  H   UNL     1      -1.425  -0.576   8.063  1.00  0.00           H  
HETATM  122  H   UNL     1      -3.660  -0.504   4.994  1.00  0.00           H  
HETATM  123  H   UNL     1      -4.463  -2.041   5.361  1.00  0.00           H  
HETATM  124  H   UNL     1      -4.764  -0.625   6.376  1.00  0.00           H  
HETATM  125  H   UNL     1       2.463   2.859   1.998  1.00  0.00           H  
HETATM  126  H   UNL     1       3.711   3.005   0.741  1.00  0.00           H  
HETATM  127  H   UNL     1       3.586   4.236   2.016  1.00  0.00           H  
CONECT    1   21   23    2   59                                       
CONECT    2    1    3   60   61                                       
CONECT    3    2    4    4   62                                       
CONECT    4    3    3    5   63                                       
CONECT    5    4    6    6   64                                       
CONECT    6    5    5    7   65                                       
CONECT    7    6   24    8   66                                       
CONECT    8    7   67   68   69                                       
CONECT    9   25   25   10   24                                       
CONECT   10    9   11   70   71                                       
CONECT   11   10   14   26   72                                       
CONECT   12   13   26   27   27                                       
CONECT   13   12   73   74   75                                       
CONECT   14   11   16   28   76                                       
CONECT   15   28   77   78   79                                       
CONECT   16   14   17   37   80                                       
CONECT   17   16   18   20   81                                       
CONECT   18   17   19   82   83                                       
CONECT   19   18   29   29   84                                       
CONECT   20   17   21   85   86                                       
CONECT   21    1   20   22   87                                       
CONECT   22   21   88   89   90                                       
CONECT   23    1   91                                                 
CONECT   24    7    9                                                 
CONECT   25    9    9                                                 
CONECT   26   11   12                                                 
CONECT   27   12   12                                                 
CONECT   28   14   15                                                 
CONECT   29   19   19                                                 
CONECT   30   40   31   37   92                                       
CONECT   31   30   32   38   93                                       
CONECT   32   31   39   33   94                                       
CONECT   33   32   48   34   95                                       
CONECT   34   33   35   40   96                                       
CONECT   35   34   97   98   99                                       
CONECT   36   39  100  101  102                                       
CONECT   37   16   30                                                 
CONECT   38   31  103                                                 
CONECT   39   32   36   58                                            
CONECT   40   30   34                                                 
CONECT   41   51   42   48  104                                       
CONECT   42   41   43  105  106                                       
CONECT   43   42   44   47   49                                       
CONECT   44   43   50   45  107                                       
CONECT   45   44   46   51  108                                       
CONECT   46   45  109  110  111                                       
CONECT   47   43  112  113  114                                       
CONECT   48   33   41                                                 
CONECT   49   43  115                                                 
CONECT   50   44   52                                                 
CONECT   51   41   45                                                 
CONECT   52   50   57   57   53                                       
CONECT   53   52   54  116  117                                       
CONECT   54   53   55   56  118                                       
CONECT   55   54  119  120  121                                       
CONECT   56   54  122  123  124                                       
CONECT   57   52   52                                                 
CONECT   58   39  125  126  127                                       
CONECT   59    1                                                      
CONECT   60    2                                                      
CONECT   61    2                                                      
CONECT   62    3                                                      
CONECT   63    4                                                      
CONECT   64    5                                                      
CONECT   65    6                                                      
CONECT   66    7                                                      
CONECT   67    8                                                      
CONECT   68    8                                                      
CONECT   69    8                                                      
CONECT   70   10                                                      
CONECT   71   10                                                      
CONECT   72   11                                                      
CONECT   73   13                                                      
CONECT   74   13                                                      
CONECT   75   13                                                      
CONECT   76   14                                                      
CONECT   77   15                                                      
CONECT   78   15                                                      
CONECT   79   15                                                      
CONECT   80   16                                                      
CONECT   81   17                                                      
CONECT   82   18                                                      
CONECT   83   18                                                      
CONECT   84   19                                                      
CONECT   85   20                                                      
CONECT   86   20                                                      
CONECT   87   21                                                      
CONECT   88   22                                                      
CONECT   89   22                                                      
CONECT   90   22                                                      
CONECT   91   23                                                      
CONECT   92   30                                                      
CONECT   93   31                                                      
CONECT   94   32                                                      
CONECT   95   33                                                      
CONECT   96   34                                                      
CONECT   97   35                                                      
CONECT   98   35                                                      
CONECT   99   35                                                      
CONECT  100   36                                                      
CONECT  101   36                                                      
CONECT  102   36                                                      
CONECT  103   38                                                      
CONECT  104   41                                                      
CONECT  105   42                                                      
CONECT  106   42                                                      
CONECT  107   44                                                      
CONECT  108   45                                                      
CONECT  109   46                                                      
CONECT  110   46                                                      
CONECT  111   46                                                      
CONECT  112   47                                                      
CONECT  113   47                                                      
CONECT  114   47                                                      
CONECT  115   49                                                      
CONECT  116   53                                                      
CONECT  117   53                                                      
CONECT  118   54                                                      
CONECT  119   55                                                      
CONECT  120   55                                                      
CONECT  121   55                                                      
CONECT  122   56                                                      
CONECT  123   56                                                      
CONECT  124   56                                                      
CONECT  125   58                                                      
CONECT  126   58                                                      
CONECT  127   58                                                      
MASTER        0    0    0    0    0    0    0    0  127    0  127    0
END
