COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.495  -1.220  -1.129  1.00  0.00           C  
HETATM    2  C   UNL     1       1.117  -0.545  -0.350  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.091  -1.196  -0.475  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.079   0.813  -1.387  1.00  0.00           C  
HETATM    5  C   UNL     1       1.235   0.789  -0.742  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.197  -0.521  -0.994  1.00  0.00           C  
HETATM    7  C   UNL     1       0.131   1.462  -1.267  1.00  0.00           C  
HETATM    8  C   UNL     1       2.531   1.490  -0.600  1.00  0.00           C  
HETATM    9  O   UNL     1       2.598   2.688  -0.793  1.00  0.00           O  
HETATM   10  C   UNL     1       5.004   1.347  -0.191  1.00  0.00           C  
HETATM   11  C   UNL     1       5.931   0.119  -0.375  1.00  0.00           C  
HETATM   12  C   UNL     1       5.153  -0.977   0.400  1.00  0.00           C  
HETATM   13  C   UNL     1       3.678  -0.621   0.115  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.995  -1.126  -0.972  1.00  0.00           C  
HETATM   15  O   UNL     1       7.670  -0.344   1.152  1.00  0.00           O  
HETATM   16  C   UNL     1       7.282   0.364   0.247  1.00  0.00           C  
HETATM   17  N   UNL     1       8.058   1.369  -0.203  1.00  0.00           N  
HETATM   18  C   UNL     1       9.372   1.607   0.401  1.00  0.00           C  
HETATM   19  C   UNL     1       9.947   3.022   0.306  1.00  0.00           C  
HETATM   20  C   UNL     1      10.762   3.521   1.471  1.00  0.00           C  
HETATM   21  C   UNL     1      10.363   4.649   2.162  1.00  0.00           C  
HETATM   22  C   UNL     1      11.111   5.107   3.230  1.00  0.00           C  
HETATM   23  C   UNL     1      12.259   4.436   3.608  1.00  0.00           C  
HETATM   24  C   UNL     1      12.659   3.307   2.917  1.00  0.00           C  
HETATM   25  C   UNL     1      11.908   2.847   1.852  1.00  0.00           C  
HETATM   26  C   UNL     1      10.541   1.896  -0.542  1.00  0.00           C  
HETATM   27  C   UNL     1       5.484  -2.346  -0.135  1.00  0.00           C  
HETATM   28  O   UNL     1       6.327  -2.472  -0.999  1.00  0.00           O  
HETATM   29  N   UNL     1       4.844  -3.431   0.345  1.00  0.00           N  
HETATM   30  C   UNL     1       5.242  -4.770  -0.095  1.00  0.00           C  
HETATM   31  C   UNL     1       5.237  -5.888   0.950  1.00  0.00           C  
HETATM   32  C   UNL     1       4.159  -5.851  -0.135  1.00  0.00           C  
HETATM   33  C   UNL     1       4.243  -6.879  -1.234  1.00  0.00           C  
HETATM   34  C   UNL     1       5.305  -7.763  -1.274  1.00  0.00           C  
HETATM   35  C   UNL     1       5.382  -8.706  -2.282  1.00  0.00           C  
HETATM   36  C   UNL     1       4.397  -8.766  -3.249  1.00  0.00           C  
HETATM   37  C   UNL     1       3.334  -7.882  -3.209  1.00  0.00           C  
HETATM   38  C   UNL     1       3.255  -6.942  -2.199  1.00  0.00           C  
HETATM   39  N   UNL     1       3.637   0.800  -0.257  1.00  0.00           N  
HETATM   40  O   UNL     1      -2.521  -2.407  -1.388  1.00  0.00           O  
HETATM   41  N   UNL     1      -3.647  -0.541  -0.959  1.00  0.00           N  
HETATM   42  C   UNL     1      -3.763   0.910  -0.729  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.994   0.021  -0.711  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.111  -0.440   0.190  1.00  0.00           C  
HETATM   45  O   UNL     1      -7.278   0.090   1.268  1.00  0.00           O  
HETATM   46  N   UNL     1      -7.925  -1.440  -0.203  1.00  0.00           N  
HETATM   47  C   UNL     1      -9.011  -1.887   0.672  1.00  0.00           C  
HETATM   48  C   UNL     1     -10.375  -2.145   0.030  1.00  0.00           C  
HETATM   49  C   UNL     1      -9.514  -3.322   0.497  1.00  0.00           C  
HETATM   50  C   UNL     1      -9.956  -4.060   1.734  1.00  0.00           C  
HETATM   51  C   UNL     1      -9.325  -5.234   2.101  1.00  0.00           C  
HETATM   52  C   UNL     1      -9.731  -5.911   3.235  1.00  0.00           C  
HETATM   53  C   UNL     1     -10.769  -5.416   4.002  1.00  0.00           C  
HETATM   54  C   UNL     1     -11.400  -4.242   3.635  1.00  0.00           C  
HETATM   55  C   UNL     1     -10.990  -3.561   2.504  1.00  0.00           C  
HETATM   56  C   UNL     1      -5.119   1.090  -0.004  1.00  0.00           C  
HETATM   57  C   UNL     1      -5.672   2.474  -0.227  1.00  0.00           C  
HETATM   58  O   UNL     1      -6.720   2.620  -0.820  1.00  0.00           O  
HETATM   59  N   UNL     1      -5.003   3.549   0.234  1.00  0.00           N  
HETATM   60  C   UNL     1      -5.592   4.885   0.115  1.00  0.00           C  
HETATM   61  C   UNL     1      -5.389   5.853   1.283  1.00  0.00           C  
HETATM   62  C   UNL     1      -4.634   6.069  -0.031  1.00  0.00           C  
HETATM   63  C   UNL     1      -5.073   7.215  -0.905  1.00  0.00           C  
HETATM   64  C   UNL     1      -4.321   7.569  -2.010  1.00  0.00           C  
HETATM   65  C   UNL     1      -4.724   8.621  -2.812  1.00  0.00           C  
HETATM   66  C   UNL     1      -5.878   9.319  -2.509  1.00  0.00           C  
HETATM   67  C   UNL     1      -6.630   8.965  -1.404  1.00  0.00           C  
HETATM   68  C   UNL     1      -6.230   7.909  -0.606  1.00  0.00           C  
HETATM   69  H   UNL     1       1.972  -1.066   0.056  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.182  -2.228  -0.172  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.933   1.334  -1.793  1.00  0.00           H  
HETATM   72  H   UNL     1       0.222   2.495  -1.571  1.00  0.00           H  
HETATM   73  H   UNL     1       5.180   1.813   0.778  1.00  0.00           H  
HETATM   74  H   UNL     1       5.166   2.067  -0.993  1.00  0.00           H  
HETATM   75  H   UNL     1       6.030  -0.142  -1.428  1.00  0.00           H  
HETATM   76  H   UNL     1       5.366  -0.920   1.468  1.00  0.00           H  
HETATM   77  H   UNL     1       3.302  -1.231  -0.707  1.00  0.00           H  
HETATM   78  H   UNL     1       3.077  -0.791   1.008  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.195  -1.577  -1.944  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.080  -1.880  -0.189  1.00  0.00           H  
HETATM   81  H   UNL     1       7.748   1.935  -0.927  1.00  0.00           H  
HETATM   82  H   UNL     1       9.583   1.037   1.306  1.00  0.00           H  
HETATM   83  H   UNL     1       9.348   3.776  -0.205  1.00  0.00           H  
HETATM   84  H   UNL     1       9.466   5.174   1.867  1.00  0.00           H  
HETATM   85  H   UNL     1      10.799   5.989   3.770  1.00  0.00           H  
HETATM   86  H   UNL     1      12.844   4.794   4.442  1.00  0.00           H  
HETATM   87  H   UNL     1      13.556   2.783   3.212  1.00  0.00           H  
HETATM   88  H   UNL     1      12.218   1.963   1.314  1.00  0.00           H  
HETATM   89  H   UNL     1      11.523   1.516  -0.258  1.00  0.00           H  
HETATM   90  H   UNL     1      10.334   1.909  -1.612  1.00  0.00           H  
HETATM   91  H   UNL     1       4.120  -3.324   0.981  1.00  0.00           H  
HETATM   92  H   UNL     1       6.015  -4.803  -0.863  1.00  0.00           H  
HETATM   93  H   UNL     1       6.007  -6.655   0.869  1.00  0.00           H  
HETATM   94  H   UNL     1       4.938  -5.626   1.965  1.00  0.00           H  
HETATM   95  H   UNL     1       3.151  -5.565   0.166  1.00  0.00           H  
HETATM   96  H   UNL     1       6.075  -7.717  -0.518  1.00  0.00           H  
HETATM   97  H   UNL     1       6.212  -9.397  -2.313  1.00  0.00           H  
HETATM   98  H   UNL     1       4.457  -9.502  -4.037  1.00  0.00           H  
HETATM   99  H   UNL     1       2.564  -7.929  -3.965  1.00  0.00           H  
HETATM  100  H   UNL     1       2.423  -6.254  -2.165  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.946   1.261  -0.099  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.764   1.446  -1.679  1.00  0.00           H  
HETATM  103  H   UNL     1      -6.392   0.407  -1.649  1.00  0.00           H  
HETATM  104  H   UNL     1      -7.791  -1.863  -1.066  1.00  0.00           H  
HETATM  105  H   UNL     1      -8.999  -1.478   1.683  1.00  0.00           H  
HETATM  106  H   UNL     1     -11.262  -1.906   0.618  1.00  0.00           H  
HETATM  107  H   UNL     1     -10.465  -1.982  -1.044  1.00  0.00           H  
HETATM  108  H   UNL     1      -9.037  -3.932  -0.270  1.00  0.00           H  
HETATM  109  H   UNL     1      -8.514  -5.621   1.502  1.00  0.00           H  
HETATM  110  H   UNL     1      -9.238  -6.828   3.522  1.00  0.00           H  
HETATM  111  H   UNL     1     -11.086  -5.945   4.888  1.00  0.00           H  
HETATM  112  H   UNL     1     -12.211  -3.855   4.234  1.00  0.00           H  
HETATM  113  H   UNL     1     -11.483  -2.644   2.217  1.00  0.00           H  
HETATM  114  H   UNL     1      -5.024   0.875   1.061  1.00  0.00           H  
HETATM  115  H   UNL     1      -4.130   3.438   0.644  1.00  0.00           H  
HETATM  116  H   UNL     1      -6.539   4.935  -0.421  1.00  0.00           H  
HETATM  117  H   UNL     1      -6.203   6.540   1.515  1.00  0.00           H  
HETATM  118  H   UNL     1      -4.817   5.496   2.139  1.00  0.00           H  
HETATM  119  H   UNL     1      -3.565   5.854  -0.039  1.00  0.00           H  
HETATM  120  H   UNL     1      -3.420   7.024  -2.247  1.00  0.00           H  
HETATM  121  H   UNL     1      -4.137   8.898  -3.675  1.00  0.00           H  
HETATM  122  H   UNL     1      -6.192  10.141  -3.135  1.00  0.00           H  
HETATM  123  H   UNL     1      -7.531   9.510  -1.167  1.00  0.00           H  
HETATM  124  H   UNL     1      -6.818   7.633   0.257  1.00  0.00           H  
CONECT    1   41   40   40    6                                       
CONECT    2    3    5    5   69                                       
CONECT    3    6    6    2   70                                       
CONECT    4    6    7    7   71                                       
CONECT    5    2    2    7    8                                       
CONECT    6    1    3    3    4                                       
CONECT    7    4    4    5   72                                       
CONECT    8    5    9    9   39                                       
CONECT    9    8    8                                                 
CONECT   10   39   11   73   74                                       
CONECT   11   10   12   16   75                                       
CONECT   12   13   11   27   76                                       
CONECT   13   39   12   77   78                                       
CONECT   14   43   41   79   80                                       
CONECT   15   16   16                                                 
CONECT   16   15   15   11   17                                       
CONECT   17   16   18   81                                            
CONECT   18   17   26   19   82                                       
CONECT   19   18   26   20   83                                       
CONECT   20   19   21   21   25                                       
CONECT   21   20   20   22   84                                       
CONECT   22   21   23   23   85                                       
CONECT   23   22   22   24   86                                       
CONECT   24   25   25   23   87                                       
CONECT   25   20   24   24   88                                       
CONECT   26   18   19   89   90                                       
CONECT   27   12   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   91                                            
CONECT   30   29   31   32   92                                       
CONECT   31   30   32   93   94                                       
CONECT   32   30   31   33   95                                       
CONECT   33   32   34   34   38                                       
CONECT   34   33   33   35   96                                       
CONECT   35   34   36   36   97                                       
CONECT   36   35   35   37   98                                       
CONECT   37   38   38   36   99                                       
CONECT   38   33   37   37  100                                       
CONECT   39    8   10   13                                            
CONECT   40    1    1                                                 
CONECT   41   14   42    1                                            
CONECT   42   56   41  101  102                                       
CONECT   43   44   56   14  103                                       
CONECT   44   45   45   46   43                                       
CONECT   45   44   44                                                 
CONECT   46   47   44  104                                            
CONECT   47   48   49   46  105                                       
CONECT   48   49   47  106  107                                       
CONECT   49   50   48   47  108                                       
CONECT   50   55   55   51   49                                       
CONECT   51   52   52   50  109                                       
CONECT   52   53   51   51  110                                       
CONECT   53   54   54   52  111                                       
CONECT   54   53   53   55  112                                       
CONECT   55   54   50   50  113                                       
CONECT   56   57   43   42  114                                       
CONECT   57   59   56   58   58                                       
CONECT   58   57   57                                                 
CONECT   59   60   57  115                                            
CONECT   60   62   61   59  116                                       
CONECT   61   62   60  117  118                                       
CONECT   62   63   61   60  119                                       
CONECT   63   64   64   68   62                                       
CONECT   64   65   63   63  120                                       
CONECT   65   66   66   64  121                                       
CONECT   66   65   65   67  122                                       
CONECT   67   66   68   68  123                                       
CONECT   68   67   67   63  124                                       
CONECT   69    2                                                      
CONECT   70    3                                                      
CONECT   71    4                                                      
CONECT   72    7                                                      
CONECT   73   10                                                      
CONECT   74   10                                                      
CONECT   75   11                                                      
CONECT   76   12                                                      
CONECT   77   13                                                      
CONECT   78   13                                                      
CONECT   79   14                                                      
CONECT   80   14                                                      
CONECT   81   17                                                      
CONECT   82   18                                                      
CONECT   83   19                                                      
CONECT   84   21                                                      
CONECT   85   22                                                      
CONECT   86   23                                                      
CONECT   87   24                                                      
CONECT   88   25                                                      
CONECT   89   26                                                      
CONECT   90   26                                                      
CONECT   91   29                                                      
CONECT   92   30                                                      
CONECT   93   31                                                      
CONECT   94   31                                                      
CONECT   95   32                                                      
CONECT   96   34                                                      
CONECT   97   35                                                      
CONECT   98   36                                                      
CONECT   99   37                                                      
CONECT  100   38                                                      
CONECT  101   42                                                      
CONECT  102   42                                                      
CONECT  103   43                                                      
CONECT  104   46                                                      
CONECT  105   47                                                      
CONECT  106   48                                                      
CONECT  107   48                                                      
CONECT  108   49                                                      
CONECT  109   51                                                      
CONECT  110   52                                                      
CONECT  111   53                                                      
CONECT  112   54                                                      
CONECT  113   55                                                      
CONECT  114   56                                                      
CONECT  115   59                                                      
CONECT  116   60                                                      
CONECT  117   61                                                      
CONECT  118   61                                                      
CONECT  119   62                                                      
CONECT  120   64                                                      
CONECT  121   65                                                      
CONECT  122   66                                                      
CONECT  123   67                                                      
CONECT  124   68                                                      
MASTER        0    0    0    0    0    0    0    0  124    0  124    0
END
