COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.453  -1.121   0.993  1.00  0.00           C  
HETATM    2  C   UNL     1       5.636  -2.003   1.401  1.00  0.00           C  
HETATM    3  O   UNL     1       3.675  -1.814   0.016  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.356   1.940  -2.617  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.050   3.213  -1.838  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.767   0.313   0.079  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.612  -0.167  -2.161  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.445   1.839  -3.843  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.150   0.019   0.601  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.077  -1.112   1.629  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.481  -1.411   2.159  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.055  -0.157   2.820  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.589  -3.274   3.181  1.00  0.00           C  
HETATM   14  C   UNL     1       5.068   1.183  -1.783  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.724   1.273   1.262  1.00  0.00           C  
HETATM   16  C   UNL     1       7.790  -1.663   2.400  1.00  0.00           C  
HETATM   17  C   UNL     1       2.309  -3.648  -0.665  1.00  0.00           C  
HETATM   18  C   UNL     1       3.673   2.297   0.958  1.00  0.00           C  
HETATM   19  C   UNL     1       3.553  -5.232   1.599  1.00  0.00           C  
HETATM   20  C   UNL     1       1.182  -2.885  -1.268  1.00  0.00           C  
HETATM   21  C   UNL     1       3.984   3.662   1.579  1.00  0.00           C  
HETATM   22  C   UNL     1       2.321   1.788   1.464  1.00  0.00           C  
HETATM   23  C   UNL     1       2.839   4.652   1.372  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.690  -2.628  -2.806  1.00  0.00           C  
HETATM   25  C   UNL     1       0.111  -4.919  -2.098  1.00  0.00           C  
HETATM   26  C   UNL     1       2.117   4.683   0.035  1.00  0.00           C  
HETATM   27  C   UNL     1       2.095   5.058   2.648  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.228  -1.503  -1.959  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.866  -3.490  -3.287  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.296  -5.367  -1.721  1.00  0.00           C  
HETATM   31  C   UNL     1       0.638   5.068  -0.019  1.00  0.00           C  
HETATM   32  C   UNL     1       4.970   0.190   0.394  1.00  0.00           C  
HETATM   33  C   UNL     1       5.107  -3.326   1.953  1.00  0.00           C  
HETATM   34  O   UNL     1       6.398  -1.337   2.412  1.00  0.00           O  
HETATM   35  C   UNL     1       3.102  -3.044   0.469  1.00  0.00           C  
HETATM   36  C   UNL     1       4.768   1.321   1.393  1.00  0.00           C  
HETATM   37  O   UNL     1       4.291   0.452  -0.832  1.00  0.00           O  
HETATM   38  C   UNL     1       4.192  -4.007   0.931  1.00  0.00           C  
HETATM   39  O   UNL     1       2.213  -2.777   1.559  1.00  0.00           O  
HETATM   40  O   UNL     1       2.623  -4.722  -1.110  1.00  0.00           O  
HETATM   41  N   UNL     1       0.238  -3.461  -2.030  1.00  0.00           N  
HETATM   42  O   UNL     1       1.134  -1.680  -1.065  1.00  0.00           O  
HETATM   43  O   UNL     1      -1.635  -0.374  -2.552  1.00  0.00           O  
HETATM   44  O   UNL     1      -1.284  -1.630  -0.759  1.00  0.00           O  
HETATM   45  C   UNL     1      -2.349  -4.339  -2.112  1.00  0.00           C  
HETATM   46  C   UNL     1       0.015   4.427  -1.235  1.00  0.00           C  
HETATM   47  C   UNL     1       0.508   6.589  -0.137  1.00  0.00           C  
HETATM   48  C   UNL     1      -2.181   0.698  -1.742  1.00  0.00           C  
HETATM   49  C   UNL     1      -0.714   3.114  -1.105  1.00  0.00           C  
HETATM   50  O   UNL     1       0.104   4.966  -2.311  1.00  0.00           O  
HETATM   51  C   UNL     1      -0.969   6.982  -0.065  1.00  0.00           C  
HETATM   52  C   UNL     1      -3.533   0.283  -1.209  1.00  0.00           C  
HETATM   53  O   UNL     1      -6.412  -2.467   3.119  1.00  0.00           O  
HETATM   54  O   UNL     1      -8.366  -0.437   3.315  1.00  0.00           O  
HETATM   55  C   UNL     1      -7.128   0.974   1.791  1.00  0.00           C  
HETATM   56  O   UNL     1      -3.091   3.468  -0.891  1.00  0.00           O  
HETATM   57  O   UNL     1       3.055   5.695   0.407  1.00  0.00           O  
HETATM   58  H   UNL     1       3.842  -0.905   1.868  1.00  0.00           H  
HETATM   59  H   UNL     1       6.266  -2.193   0.533  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.397   1.977  -2.962  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.006   4.055  -2.539  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.970   0.550   0.767  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.442   0.540  -2.129  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.209  -0.209  -3.173  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.965  -1.156  -1.869  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.404   1.819  -3.521  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.674   0.925  -4.391  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.609   2.701  -4.490  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.793  -0.283  -0.226  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.668  -2.006   1.158  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.433  -0.810   2.456  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.124  -1.713   1.332  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.411   0.145   3.646  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.458  -4.052   3.933  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.443  -2.652   3.448  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.765  -3.735   2.209  1.00  0.00           H  
HETATM   77  H   UNL     1       5.967   0.617  -2.027  1.00  0.00           H  
HETATM   78  H   UNL     1       4.481   1.341  -2.687  1.00  0.00           H  
HETATM   79  H   UNL     1       5.349   2.147  -1.358  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.081   1.575   2.088  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.777   2.078   0.529  1.00  0.00           H  
HETATM   82  H   UNL     1       8.297  -1.118   3.196  1.00  0.00           H  
HETATM   83  H   UNL     1       7.914  -2.734   2.557  1.00  0.00           H  
HETATM   84  H   UNL     1       8.220  -1.384   1.438  1.00  0.00           H  
HETATM   85  H   UNL     1       3.651   2.390  -0.123  1.00  0.00           H  
HETATM   86  H   UNL     1       2.905  -5.739   0.884  1.00  0.00           H  
HETATM   87  H   UNL     1       4.336  -5.917   1.927  1.00  0.00           H  
HETATM   88  H   UNL     1       2.966  -4.912   2.460  1.00  0.00           H  
HETATM   89  H   UNL     1       4.161   3.533   2.647  1.00  0.00           H  
HETATM   90  H   UNL     1       4.891   4.061   1.114  1.00  0.00           H  
HETATM   91  H   UNL     1       1.539   2.495   1.186  1.00  0.00           H  
HETATM   92  H   UNL     1       2.109   0.817   1.017  1.00  0.00           H  
HETATM   93  H   UNL     1       2.353   1.689   2.549  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.171  -2.216  -3.670  1.00  0.00           H  
HETATM   95  H   UNL     1       0.812  -5.387  -1.408  1.00  0.00           H  
HETATM   96  H   UNL     1       0.335  -5.252  -3.113  1.00  0.00           H  
HETATM   97  H   UNL     1       2.434   3.974  -0.736  1.00  0.00           H  
HETATM   98  H   UNL     1       2.796   5.095   3.482  1.00  0.00           H  
HETATM   99  H   UNL     1       1.644   6.041   2.509  1.00  0.00           H  
HETATM  100  H   UNL     1       1.314   4.328   2.862  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.675  -2.842  -3.628  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.545  -4.133  -4.106  1.00  0.00           H  
HETATM  103  H   UNL     1      -1.515  -6.308  -2.228  1.00  0.00           H  
HETATM  104  H   UNL     1      -1.341  -5.530  -0.643  1.00  0.00           H  
HETATM  105  H   UNL     1       0.120   4.721   0.870  1.00  0.00           H  
HETATM  106  H   UNL     1       6.042   0.081   0.186  1.00  0.00           H  
HETATM  107  H   UNL     1       5.949  -3.987   2.178  1.00  0.00           H  
HETATM  108  H   UNL     1       4.545  -3.139   2.871  1.00  0.00           H  
HETATM  109  H   UNL     1       5.706   1.875   1.511  1.00  0.00           H  
HETATM  110  H   UNL     1       4.495   0.901   2.368  1.00  0.00           H  
HETATM  111  H   UNL     1       4.787  -4.333   0.075  1.00  0.00           H  
HETATM  112  H   UNL     1       1.498  -2.163   1.342  1.00  0.00           H  
HETATM  113  H   UNL     1      -2.553  -3.692  -1.260  1.00  0.00           H  
HETATM  114  H   UNL     1      -3.267  -4.853  -2.396  1.00  0.00           H  
HETATM  115  H   UNL     1       1.050   7.065   0.680  1.00  0.00           H  
HETATM  116  H   UNL     1       0.925   6.917  -1.089  1.00  0.00           H  
HETATM  117  H   UNL     1      -1.515   0.914  -0.912  1.00  0.00           H  
HETATM  118  H   UNL     1      -0.893   2.906  -0.049  1.00  0.00           H  
HETATM  119  H   UNL     1      -0.103   2.317  -1.525  1.00  0.00           H  
HETATM  120  H   UNL     1      -1.386   6.654   0.887  1.00  0.00           H  
HETATM  121  H   UNL     1      -1.062   8.064  -0.149  1.00  0.00           H  
HETATM  122  H   UNL     1      -1.512   6.506  -0.882  1.00  0.00           H  
HETATM  123  H   UNL     1      -8.792   0.316   3.747  1.00  0.00           H  
HETATM  124  H   UNL     1      -7.772   0.672   0.965  1.00  0.00           H  
HETATM  125  H   UNL     1      -7.537   1.867   2.262  1.00  0.00           H  
HETATM  126  H   UNL     1      -2.956   4.266  -0.363  1.00  0.00           H  
CONECT    1    3    2   32   58                                       
CONECT    2   33    1   34   59                                       
CONECT    3   35    1                                                 
CONECT    4   48    8    5   60                                       
CONECT    5   56    4   49   61                                       
CONECT    6    9   52   52   62                                       
CONECT    7   52   63   64   65                                       
CONECT    8    4   66   67   68                                       
CONECT    9   10    6   15   69                                       
CONECT   10   11    9   70   71                                       
CONECT   11   53   10   12   72                                       
CONECT   12   11   54   55   73                                       
CONECT   13   53   74   75   76                                       
CONECT   14   37   77   78   79                                       
CONECT   15    9   55   80   81                                       
CONECT   16   34   82   83   84                                       
CONECT   17   20   40   40   35                                       
CONECT   18   36   22   21   85                                       
CONECT   19   38   86   87   88                                       
CONECT   20   42   42   41   17                                       
CONECT   21   18   23   89   90                                       
CONECT   22   18   91   92   93                                       
CONECT   23   27   21   26   57                                       
CONECT   24   29   28   41   94                                       
CONECT   25   41   30   95   96                                       
CONECT   26   31   23   57   97                                       
CONECT   27   23   98   99  100                                       
CONECT   28   44   44   24   43                                       
CONECT   29   24   45  101  102                                       
CONECT   30   45   25  103  104                                       
CONECT   31   46   26   47  105                                       
CONECT   32    1   36   37  106                                       
CONECT   33   38    2  107  108                                       
CONECT   34    2   16                                                 
CONECT   35   17   38   39    3                                       
CONECT   36   32   18  109  110                                       
CONECT   37   32   14                                                 
CONECT   38   19   35   33  111                                       
CONECT   39   35  112                                                 
CONECT   40   17   17                                                 
CONECT   41   24   20   25                                            
CONECT   42   20   20                                                 
CONECT   43   28   48                                                 
CONECT   44   28   28                                                 
CONECT   45   29   30  113  114                                       
CONECT   46   49   50   50   31                                       
CONECT   47   31   51  115  116                                       
CONECT   48   43   52    4  117                                       
CONECT   49    5   46  118  119                                       
CONECT   50   46   46                                                 
CONECT   51   47  120  121  122                                       
CONECT   52    6    6   48    7                                       
CONECT   53   13   11                                                 
CONECT   54   12  123                                                 
CONECT   55   12   15  124  125                                       
CONECT   56    5  126                                                 
CONECT   57   23   26                                                 
CONECT   58    1                                                      
CONECT   59    2                                                      
CONECT   60    4                                                      
CONECT   61    5                                                      
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   10                                                      
CONECT   71   10                                                      
CONECT   72   11                                                      
CONECT   73   12                                                      
CONECT   74   13                                                      
CONECT   75   13                                                      
CONECT   76   13                                                      
CONECT   77   14                                                      
CONECT   78   14                                                      
CONECT   79   14                                                      
CONECT   80   15                                                      
CONECT   81   15                                                      
CONECT   82   16                                                      
CONECT   83   16                                                      
CONECT   84   16                                                      
CONECT   85   18                                                      
CONECT   86   19                                                      
CONECT   87   19                                                      
CONECT   88   19                                                      
CONECT   89   21                                                      
CONECT   90   21                                                      
CONECT   91   22                                                      
CONECT   92   22                                                      
CONECT   93   22                                                      
CONECT   94   24                                                      
CONECT   95   25                                                      
CONECT   96   25                                                      
CONECT   97   26                                                      
CONECT   98   27                                                      
CONECT   99   27                                                      
CONECT  100   27                                                      
CONECT  101   29                                                      
CONECT  102   29                                                      
CONECT  103   30                                                      
CONECT  104   30                                                      
CONECT  105   31                                                      
CONECT  106   32                                                      
CONECT  107   33                                                      
CONECT  108   33                                                      
CONECT  109   36                                                      
CONECT  110   36                                                      
CONECT  111   38                                                      
CONECT  112   39                                                      
CONECT  113   45                                                      
CONECT  114   45                                                      
CONECT  115   47                                                      
CONECT  116   47                                                      
CONECT  117   48                                                      
CONECT  118   49                                                      
CONECT  119   49                                                      
CONECT  120   51                                                      
CONECT  121   51                                                      
CONECT  122   51                                                      
CONECT  123   54                                                      
CONECT  124   55                                                      
CONECT  125   55                                                      
CONECT  126   56                                                      
MASTER        0    0    0    0    0    0    0    0  126    0  126    0
END
