COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -9.744  -2.938  -0.495  1.00  0.00           N  
HETATM    2  C   UNL     1      -8.675  -2.511   0.418  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.624  -1.759  -0.356  1.00  0.00           C  
HETATM    4  O   UNL     1      -7.604  -1.820  -1.568  1.00  0.00           O  
HETATM    5  C   UNL     1      -8.044  -3.740   1.075  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.356  -4.149  -1.230  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.005  -3.145   0.231  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.927  -3.296   2.021  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.110  -4.500   1.866  1.00  0.00           C  
HETATM   10  N   UNL     1      -6.706  -1.019   0.296  1.00  0.00           N  
HETATM   11  C   UNL     1      -5.755  -0.199  -0.458  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.479  -0.055   0.332  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.479  -0.262   1.527  1.00  0.00           O  
HETATM   14  C   UNL     1      -6.359   1.184  -0.708  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.403   2.010  -1.570  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.291   1.377  -2.958  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.939   3.437  -1.702  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.339   0.305  -0.290  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.080   0.352   0.459  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.134   1.315  -0.210  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.477   1.905  -1.213  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.452  -1.043   0.488  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.356  -1.993   1.276  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.792  -3.414   1.200  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.416  -1.546   2.737  1.00  0.00           C  
HETATM   26  N   UNL     1       0.094   1.522   0.306  1.00  0.00           N  
HETATM   27  C   UNL     1       1.014   2.458  -0.343  1.00  0.00           C  
HETATM   28  C   UNL     1       0.728   3.879   0.149  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.670   4.304  -0.305  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.952   5.703   0.180  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.618   6.788  -0.608  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.876   8.071  -0.163  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.468   8.269   1.070  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.802   7.184   1.859  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.549   5.900   1.411  1.00  0.00           C  
HETATM   36  C   UNL     1       2.455   2.079   0.002  1.00  0.00           C  
HETATM   37  C   UNL     1       2.780   0.710  -0.599  1.00  0.00           C  
HETATM   38  C   UNL     1       4.234   0.390  -0.363  1.00  0.00           C  
HETATM   39  O   UNL     1       4.959   1.213   0.155  1.00  0.00           O  
HETATM   40  N   UNL     1       9.924  -2.812   1.051  1.00  0.00           N  
HETATM   41  C   UNL     1       4.865  -2.944  -1.495  1.00  0.00           C  
HETATM   42  C   UNL     1       6.134  -1.232  -0.656  1.00  0.00           C  
HETATM   43  C   UNL     1       6.626  -1.196   0.792  1.00  0.00           C  
HETATM   44  C   UNL     1       8.077  -1.600   0.840  1.00  0.00           C  
HETATM   45  C   UNL     1      10.370  -1.543   0.759  1.00  0.00           C  
HETATM   46  N   UNL     1       4.728  -0.810  -0.726  1.00  0.00           N  
HETATM   47  C   UNL     1       4.025  -1.845  -1.221  1.00  0.00           C  
HETATM   48  O   UNL     1       2.823  -1.834  -1.409  1.00  0.00           O  
HETATM   49  C   UNL     1       6.139  -2.652  -1.179  1.00  0.00           C  
HETATM   50  O   UNL     1       7.209  -3.463  -1.306  1.00  0.00           O  
HETATM   51  C   UNL     1       6.969  -4.793  -1.835  1.00  0.00           C  
HETATM   52  C   UNL     1       9.232  -0.727   0.613  1.00  0.00           C  
HETATM   53  C   UNL     1       9.380   0.628   0.315  1.00  0.00           C  
HETATM   54  C   UNL     1      10.631   1.156   0.160  1.00  0.00           C  
HETATM   55  C   UNL     1      11.756   0.355   0.297  1.00  0.00           C  
HETATM   56  C   UNL     1      11.633  -0.984   0.598  1.00  0.00           C  
HETATM   57  C   UNL     1       8.557  -2.828   1.091  1.00  0.00           C  
HETATM   58  H   UNL     1      -9.093  -1.862   1.188  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.630  -4.391   0.305  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.135  -4.403  -1.949  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.420  -3.968  -1.758  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.225  -4.973  -0.530  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.903  -3.998   0.901  1.00  0.00           H  
HETATM   64  H   UNL     1     -11.240  -2.253   0.812  1.00  0.00           H  
HETATM   65  H   UNL     1     -11.807  -3.337  -0.481  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.141  -2.802   1.449  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.330  -2.602   2.759  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.513  -4.167   2.529  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.628  -5.221   2.526  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.692  -3.796   2.461  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.771  -5.024   1.175  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.676  -1.029   1.266  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.538  -0.679  -1.412  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.313   1.075  -1.225  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.518   1.689   0.245  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.419   2.033  -1.101  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.963   0.342  -2.860  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.263   1.405  -3.450  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.566   1.932  -3.553  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.019   3.888  -0.713  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.257   4.026  -2.316  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.922   3.413  -2.171  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.351   0.533  -1.232  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.276   0.683   1.478  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.338  -1.412  -0.532  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.474  -0.991   0.967  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.359  -1.977   0.849  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.789  -3.430   1.626  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.436  -4.091   1.761  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.750  -3.733   0.158  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.413  -1.562   3.164  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.818  -0.534   2.791  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.060  -2.223   3.299  1.00  0.00           H  
HETATM   94  H   UNL     1       0.368   1.050   1.109  1.00  0.00           H  
HETATM   95  H   UNL     1       0.875   2.414  -1.424  1.00  0.00           H  
HETATM   96  H   UNL     1       0.780   3.903   1.237  1.00  0.00           H  
HETATM   97  H   UNL     1       1.468   4.563  -0.266  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.722   4.279  -1.393  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.411   3.620   0.110  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.155   6.633  -1.572  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.615   8.919  -0.779  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.669   9.271   1.418  1.00  0.00           H  
HETATM  103  H   UNL     1      -2.264   7.338   2.822  1.00  0.00           H  
HETATM  104  H   UNL     1      -1.814   5.052   2.025  1.00  0.00           H  
HETATM  105  H   UNL     1       3.135   2.826  -0.408  1.00  0.00           H  
HETATM  106  H   UNL     1       2.571   2.038   1.084  1.00  0.00           H  
HETATM  107  H   UNL     1       2.159  -0.051  -0.126  1.00  0.00           H  
HETATM  108  H   UNL     1       2.582   0.727  -1.671  1.00  0.00           H  
HETATM  109  H   UNL     1      10.495  -3.582   1.203  1.00  0.00           H  
HETATM  110  H   UNL     1       4.531  -3.889  -1.897  1.00  0.00           H  
HETATM  111  H   UNL     1       6.758  -0.595  -1.284  1.00  0.00           H  
HETATM  112  H   UNL     1       6.516  -0.187   1.188  1.00  0.00           H  
HETATM  113  H   UNL     1       6.037  -1.889   1.393  1.00  0.00           H  
HETATM  114  H   UNL     1       6.275  -5.324  -1.183  1.00  0.00           H  
HETATM  115  H   UNL     1       6.540  -4.715  -2.835  1.00  0.00           H  
HETATM  116  H   UNL     1       7.910  -5.340  -1.885  1.00  0.00           H  
HETATM  117  H   UNL     1       8.509   1.258   0.206  1.00  0.00           H  
HETATM  118  H   UNL     1      10.745   2.205  -0.071  1.00  0.00           H  
HETATM  119  H   UNL     1      12.738   0.786   0.171  1.00  0.00           H  
HETATM  120  H   UNL     1      12.515  -1.599   0.706  1.00  0.00           H  
HETATM  121  H   UNL     1       7.953  -3.699   1.299  1.00  0.00           H  
CONECT    1    2    6    7                                            
CONECT    2    5    3    1   58                                       
CONECT    3    4    4   10    2                                       
CONECT    4    3    3                                                 
CONECT    5    8    9    2   59                                       
CONECT    6    1   60   61   62                                       
CONECT    7    1   64   65   63                                       
CONECT    8    5   67   68   66                                       
CONECT    9    5   71   69   70                                       
CONECT   10    3   11   72                                            
CONECT   11   12   10   14   73                                       
CONECT   12   18   11   13   13                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   74   75                                       
CONECT   15   16   14   17   76                                       
CONECT   16   15   77   78   79                                       
CONECT   17   15   80   81   82                                       
CONECT   18   19   12   83                                            
CONECT   19   22   20   18   84                                       
CONECT   20   21   21   19   26                                       
CONECT   21   20   20                                                 
CONECT   22   23   19   85   86                                       
CONECT   23   24   22   25   87                                       
CONECT   24   23   88   89   90                                       
CONECT   25   23   91   92   93                                       
CONECT   26   20   27   94                                            
CONECT   27   36   26   28   95                                       
CONECT   28   27   29   96   97                                       
CONECT   29   28   30   98   99                                       
CONECT   30   29   35   35   31                                       
CONECT   31   30   32   32  100                                       
CONECT   32   31   31   33  101                                       
CONECT   33   34   34   32  102                                       
CONECT   34   35   33   33  103                                       
CONECT   35   30   30   34  104                                       
CONECT   36   37   27  105  106                                       
CONECT   37   36   38  107  108                                       
CONECT   38   39   39   37   46                                       
CONECT   39   38   38                                                 
CONECT   40   57   45  109                                            
CONECT   41   47   49   49  110                                       
CONECT   42   46   49   43  111                                       
CONECT   43   42   44  112  113                                       
CONECT   44   43   57   57   52                                       
CONECT   45   52   40   56   56                                       
CONECT   46   38   42   47                                            
CONECT   47   46   48   48   41                                       
CONECT   48   47   47                                                 
CONECT   49   42   41   41   50                                       
CONECT   50   49   51                                                 
CONECT   51   50  114  115  116                                       
CONECT   52   44   53   53   45                                       
CONECT   53   52   52   54  117                                       
CONECT   54   53   55   55  118                                       
CONECT   55   54   54   56  119                                       
CONECT   56   45   45   55  120                                       
CONECT   57   44   44   40  121                                       
CONECT   58    2                                                      
CONECT   59    5                                                      
CONECT   60    6                                                      
CONECT   61    6                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    7                                                      
CONECT   65    7                                                      
CONECT   66    8                                                      
CONECT   67    8                                                      
CONECT   68    8                                                      
CONECT   69    9                                                      
CONECT   70    9                                                      
CONECT   71    9                                                      
CONECT   72   10                                                      
CONECT   73   11                                                      
CONECT   74   14                                                      
CONECT   75   14                                                      
CONECT   76   15                                                      
CONECT   77   16                                                      
CONECT   78   16                                                      
CONECT   79   16                                                      
CONECT   80   17                                                      
CONECT   81   17                                                      
CONECT   82   17                                                      
CONECT   83   18                                                      
CONECT   84   19                                                      
CONECT   85   22                                                      
CONECT   86   22                                                      
CONECT   87   23                                                      
CONECT   88   24                                                      
CONECT   89   24                                                      
CONECT   90   24                                                      
CONECT   91   25                                                      
CONECT   92   25                                                      
CONECT   93   25                                                      
CONECT   94   26                                                      
CONECT   95   27                                                      
CONECT   96   28                                                      
CONECT   97   28                                                      
CONECT   98   29                                                      
CONECT   99   29                                                      
CONECT  100   31                                                      
CONECT  101   32                                                      
CONECT  102   33                                                      
CONECT  103   34                                                      
CONECT  104   35                                                      
CONECT  105   36                                                      
CONECT  106   36                                                      
CONECT  107   37                                                      
CONECT  108   37                                                      
CONECT  109   40                                                      
CONECT  110   41                                                      
CONECT  111   42                                                      
CONECT  112   43                                                      
CONECT  113   43                                                      
CONECT  114   51                                                      
CONECT  115   51                                                      
CONECT  116   51                                                      
CONECT  117   53                                                      
CONECT  118   54                                                      
CONECT  119   55                                                      
CONECT  120   56                                                      
CONECT  121   57                                                      
MASTER        0    0    0    0    0    0    0    0  121    0  121    0
END
