COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.627   2.744   0.481  1.00  0.00           O  
HETATM    2  O   UNL     1       3.418  -0.181   0.013  1.00  0.00           O  
HETATM    3  C   UNL     1       5.249   1.351   0.440  1.00  0.00           C  
HETATM    4  O   UNL     1       8.803   4.034  -0.837  1.00  0.00           O  
HETATM    5  C   UNL     1       3.760   1.206   0.119  1.00  0.00           C  
HETATM    6  O   UNL     1       3.124  -2.670  -0.863  1.00  0.00           O  
HETATM    7  C   UNL     1       7.049   2.799   0.275  1.00  0.00           C  
HETATM    8  O   UNL     1       2.909  -5.014  -1.485  1.00  0.00           O  
HETATM    9  C   UNL     1       2.455  -0.527   1.020  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.713  -3.196   1.626  1.00  0.00           O  
HETATM   11  C   UNL     1       6.114   0.775  -0.711  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.300  -1.024   1.985  1.00  0.00           O  
HETATM   13  C   UNL     1       2.917   1.808   1.263  1.00  0.00           C  
HETATM   14  O   UNL     1      -6.328   6.083  -3.139  1.00  0.00           O  
HETATM   15  C   UNL     1       7.443   1.549  -0.536  1.00  0.00           C  
HETATM   16  O   UNL     1      -6.460   8.225  -2.615  1.00  0.00           O  
HETATM   17  C   UNL     1       1.739   0.802   1.370  1.00  0.00           C  
HETATM   18  C   UNL     1       3.441   1.922  -1.195  1.00  0.00           C  
HETATM   19  C   UNL     1       7.413   4.062  -0.508  1.00  0.00           C  
HETATM   20  C   UNL     1       1.452  -1.543   0.469  1.00  0.00           C  
HETATM   21  C   UNL     1       7.771   2.793   1.624  1.00  0.00           C  
HETATM   22  C   UNL     1       2.169  -2.863   0.182  1.00  0.00           C  
HETATM   23  C   UNL     1       7.116   5.295   0.348  1.00  0.00           C  
HETATM   24  C   UNL     1       1.145  -3.915  -0.250  1.00  0.00           C  
HETATM   25  C   UNL     1       1.862  -5.236  -0.537  1.00  0.00           C  
HETATM   26  C   UNL     1       0.123  -4.123   0.869  1.00  0.00           C  
HETATM   27  C   UNL     1       0.863  -6.245  -1.108  1.00  0.00           C  
HETATM   28  C   UNL     1       0.190  -5.655  -2.320  1.00  0.00           C  
HETATM   29  C   UNL     1       1.602  -7.524  -1.507  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.117  -5.632  -2.398  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.949  -6.065  -1.219  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.979  -4.980  -0.895  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.663  -4.212   0.783  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.834  -3.029   1.211  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.381  -0.642   1.605  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.740  -5.362   0.376  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.706   0.830   1.615  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.404  -1.636   1.120  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.423   1.637   1.407  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.762   3.128   1.356  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.963  -4.848  -2.058  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.553  -4.658   1.945  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.675   3.403   0.159  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.332   1.204   2.960  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.114   4.869   0.179  1.00  0.00           C  
HETATM   46  C   UNL     1      -1.473   3.939   1.211  1.00  0.00           C  
HETATM   47  C   UNL     1      -4.924   5.175  -1.082  1.00  0.00           C  
HETATM   48  C   UNL     1      -4.979   5.125   1.415  1.00  0.00           C  
HETATM   49  C   UNL     1      -5.257   6.668  -1.124  1.00  0.00           C  
HETATM   50  C   UNL     1      -6.054   6.970  -2.366  1.00  0.00           C  
HETATM   51  H   UNL     1       5.489   0.860   1.383  1.00  0.00           H  
HETATM   52  H   UNL     1       9.105   4.807  -1.335  1.00  0.00           H  
HETATM   53  H   UNL     1       2.738  -2.367  -1.697  1.00  0.00           H  
HETATM   54  H   UNL     1       2.603  -4.665  -2.333  1.00  0.00           H  
HETATM   55  H   UNL     1       2.957  -0.929   1.901  1.00  0.00           H  
HETATM   56  H   UNL     1       6.267  -0.296  -0.583  1.00  0.00           H  
HETATM   57  H   UNL     1       5.664   0.989  -1.680  1.00  0.00           H  
HETATM   58  H   UNL     1       3.487   1.837   2.192  1.00  0.00           H  
HETATM   59  H   UNL     1       2.559   2.803   0.999  1.00  0.00           H  
HETATM   60  H   UNL     1       7.848   1.836  -1.506  1.00  0.00           H  
HETATM   61  H   UNL     1       8.165   0.947   0.018  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.969   8.370  -3.424  1.00  0.00           H  
HETATM   63  H   UNL     1       0.960   1.031   0.642  1.00  0.00           H  
HETATM   64  H   UNL     1       1.334   0.776   2.381  1.00  0.00           H  
HETATM   65  H   UNL     1       2.362   1.928  -1.353  1.00  0.00           H  
HETATM   66  H   UNL     1       3.807   2.947  -1.149  1.00  0.00           H  
HETATM   67  H   UNL     1       3.926   1.400  -2.020  1.00  0.00           H  
HETATM   68  H   UNL     1       6.823   4.105  -1.423  1.00  0.00           H  
HETATM   69  H   UNL     1       0.664  -1.709   1.203  1.00  0.00           H  
HETATM   70  H   UNL     1       1.015  -1.158  -0.452  1.00  0.00           H  
HETATM   71  H   UNL     1       7.500   1.893   2.177  1.00  0.00           H  
HETATM   72  H   UNL     1       8.848   2.809   1.460  1.00  0.00           H  
HETATM   73  H   UNL     1       7.477   3.673   2.197  1.00  0.00           H  
HETATM   74  H   UNL     1       2.680  -3.203   1.083  1.00  0.00           H  
HETATM   75  H   UNL     1       7.376   6.195  -0.209  1.00  0.00           H  
HETATM   76  H   UNL     1       6.056   5.317   0.600  1.00  0.00           H  
HETATM   77  H   UNL     1       7.706   5.252   1.264  1.00  0.00           H  
HETATM   78  H   UNL     1       0.634  -3.576  -1.151  1.00  0.00           H  
HETATM   79  H   UNL     1       2.286  -5.628   0.387  1.00  0.00           H  
HETATM   80  H   UNL     1       0.626  -4.517   1.752  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.346  -3.170   1.114  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.639  -4.829   0.539  1.00  0.00           H  
HETATM   83  H   UNL     1       0.112  -6.479  -0.354  1.00  0.00           H  
HETATM   84  H   UNL     1       0.786  -5.250  -3.125  1.00  0.00           H  
HETATM   85  H   UNL     1       2.020  -7.995  -0.617  1.00  0.00           H  
HETATM   86  H   UNL     1       0.905  -8.211  -1.988  1.00  0.00           H  
HETATM   87  H   UNL     1       2.406  -7.278  -2.200  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.599  -5.303  -3.307  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.465  -6.995  -1.459  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.303  -6.221  -0.355  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.468  -4.029  -0.741  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.288  -3.930  -0.065  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.334  -6.256   0.189  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.030  -5.559   1.180  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.410   1.052   0.812  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.662  -1.416   0.084  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.298  -1.569   1.739  1.00  0.00           H  
HETATM   98  H   UNL     1      -1.737   1.448   2.233  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.954   1.339   0.470  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.271   3.417   2.275  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.639  -4.014  -1.869  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.413  -4.667  -2.982  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.539  -5.768  -2.153  1.00  0.00           H  
HETATM  104  H   UNL     1      -4.929  -5.021   2.762  1.00  0.00           H  
HETATM  105  H   UNL     1      -6.149  -3.814   2.290  1.00  0.00           H  
HETATM  106  H   UNL     1      -6.214  -5.458   1.610  1.00  0.00           H  
HETATM  107  H   UNL     1      -3.134   3.198  -0.765  1.00  0.00           H  
HETATM  108  H   UNL     1      -4.553   2.760   0.217  1.00  0.00           H  
HETATM  109  H   UNL     1      -3.655   0.924   3.767  1.00  0.00           H  
HETATM  110  H   UNL     1      -4.509   2.279   2.991  1.00  0.00           H  
HETATM  111  H   UNL     1      -5.278   0.676   3.080  1.00  0.00           H  
HETATM  112  H   UNL     1      -3.234   5.511   0.211  1.00  0.00           H  
HETATM  113  H   UNL     1      -1.703   5.003   1.277  1.00  0.00           H  
HETATM  114  H   UNL     1      -0.781   3.667   2.008  1.00  0.00           H  
HETATM  115  H   UNL     1      -1.016   3.726   0.244  1.00  0.00           H  
HETATM  116  H   UNL     1      -4.339   4.909  -1.963  1.00  0.00           H  
HETATM  117  H   UNL     1      -5.848   4.597  -1.071  1.00  0.00           H  
HETATM  118  H   UNL     1      -4.402   4.907   2.314  1.00  0.00           H  
HETATM  119  H   UNL     1      -5.292   6.169   1.429  1.00  0.00           H  
HETATM  120  H   UNL     1      -5.858   4.483   1.383  1.00  0.00           H  
HETATM  121  H   UNL     1      -5.841   6.935  -0.243  1.00  0.00           H  
HETATM  122  H   UNL     1      -4.333   7.246  -1.136  1.00  0.00           H  
CONECT    1    3    7                                                 
CONECT    2    9    5                                                 
CONECT    3    1    5   11   51                                       
CONECT    4   19   52                                                 
CONECT    5    2    3   18   13                                       
CONECT    6   22   53                                                 
CONECT    7    1   19   15   21                                       
CONECT    8   25   54                                                 
CONECT    9    2   20   17   55                                       
CONECT   10   34   34                                                 
CONECT   11    3   15   56   57                                       
CONECT   12   35   35                                                 
CONECT   13    5   17   58   59                                       
CONECT   14   50   50                                                 
CONECT   15    7   11   60   61                                       
CONECT   16   50   62                                                 
CONECT   17    9   13   63   64                                       
CONECT   18    5   65   66   67                                       
CONECT   19    4    7   23   68                                       
CONECT   20    9   22   69   70                                       
CONECT   21    7   71   72   73                                       
CONECT   22    6   20   24   74                                       
CONECT   23   19   75   76   77                                       
CONECT   24   22   26   25   78                                       
CONECT   25    8   24   27   79                                       
CONECT   26   24   80   81   82                                       
CONECT   27   25   29   28   83                                       
CONECT   28   27   30   30   84                                       
CONECT   29   27   85   86   87                                       
CONECT   30   28   28   31   88                                       
CONECT   31   30   32   89   90                                       
CONECT   32   31   36   41   91                                       
CONECT   33   36   34   42   92                                       
CONECT   34   10   10   33   38                                       
CONECT   35   12   12   37   38                                       
CONECT   36   32   33   93   94                                       
CONECT   37   35   44   39   95                                       
CONECT   38   34   35   96   97                                       
CONECT   39   37   40   98   99                                       
CONECT   40   39   46   43  100                                       
CONECT   41   32  101  102  103                                       
CONECT   42   33  104  105  106                                       
CONECT   43   40   45  107  108                                       
CONECT   44   37  109  110  111                                       
CONECT   45   43   48   47  112                                       
CONECT   46   40  113  114  115                                       
CONECT   47   45   49  116  117                                       
CONECT   48   45  118  119  120                                       
CONECT   49   47   50  121  122                                       
CONECT   50   14   14   16   49                                       
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    6                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   26                                                      
CONECT   82   26                                                      
CONECT   83   27                                                      
CONECT   84   28                                                      
CONECT   85   29                                                      
CONECT   86   29                                                      
CONECT   87   29                                                      
CONECT   88   30                                                      
CONECT   89   31                                                      
CONECT   90   31                                                      
CONECT   91   32                                                      
CONECT   92   33                                                      
CONECT   93   36                                                      
CONECT   94   36                                                      
CONECT   95   37                                                      
CONECT   96   38                                                      
CONECT   97   38                                                      
CONECT   98   39                                                      
CONECT   99   39                                                      
CONECT  100   40                                                      
CONECT  101   41                                                      
CONECT  102   41                                                      
CONECT  103   41                                                      
CONECT  104   42                                                      
CONECT  105   42                                                      
CONECT  106   42                                                      
CONECT  107   43                                                      
CONECT  108   43                                                      
CONECT  109   44                                                      
CONECT  110   44                                                      
CONECT  111   44                                                      
CONECT  112   45                                                      
CONECT  113   46                                                      
CONECT  114   46                                                      
CONECT  115   46                                                      
CONECT  116   47                                                      
CONECT  117   47                                                      
CONECT  118   48                                                      
CONECT  119   48                                                      
CONECT  120   48                                                      
CONECT  121   49                                                      
CONECT  122   49                                                      
MASTER        0    0    0    0    0    0    0    0  122    0  122    0
END
