COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -9.768   1.504  -1.781  1.00  0.00           O  
HETATM    2  C   UNL     1      -9.188   0.281  -1.324  1.00  0.00           C  
HETATM    3  C   UNL     1     -10.227  -0.839  -1.411  1.00  0.00           C  
HETATM    4  O   UNL     1     -10.596  -1.041  -2.777  1.00  0.00           O  
HETATM    5  C   UNL     1     -11.586  -2.054  -2.970  1.00  0.00           C  
HETATM    6  O   UNL     1     -11.899  -2.155  -4.361  1.00  0.00           O  
HETATM    7  C   UNL     1      -9.631  -2.133  -0.849  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.655  -3.263  -0.995  1.00  0.00           C  
HETATM    9  O   UNL     1     -10.081  -4.490  -0.540  1.00  0.00           O  
HETATM   10  C   UNL     1     -11.045  -3.396  -2.470  1.00  0.00           C  
HETATM   11  O   UNL     1     -12.054  -4.399  -2.609  1.00  0.00           O  
HETATM   12  O   UNL     1      -9.315  -1.951   0.533  1.00  0.00           O  
HETATM   13  C   UNL     1      -8.245  -2.777   0.997  1.00  0.00           C  
HETATM   14  O   UNL     1      -7.036  -2.413   0.325  1.00  0.00           O  
HETATM   15  C   UNL     1      -6.654  -1.049   0.510  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.370  -0.768  -0.274  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.615  -0.947  -1.670  1.00  0.00           O  
HETATM   18  C   UNL     1      -6.412  -0.785   1.998  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.684  -1.125   2.782  1.00  0.00           C  
HETATM   20  O   UNL     1      -7.444  -0.951   4.180  1.00  0.00           O  
HETATM   21  C   UNL     1      -8.067  -2.582   2.505  1.00  0.00           C  
HETATM   22  O   UNL     1      -9.292  -2.889   3.174  1.00  0.00           O  
HETATM   23  O   UNL     1      -6.086   0.593   2.192  1.00  0.00           O  
HETATM   24  C   UNL     1      -5.268   0.841   3.337  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.994   0.220   3.155  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.285   0.669   1.999  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.956  -0.081   1.892  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.015   2.171   2.119  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.346   2.910   2.286  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.100   4.305   2.471  1.00  0.00           O  
HETATM   31  C   UNL     1      -5.078   2.350   3.511  1.00  0.00           C  
HETATM   32  O   UNL     1      -6.354   2.981   3.634  1.00  0.00           O  
HETATM   33  N   UNL     1      -2.338   2.647   0.905  1.00  0.00           N  
HETATM   34  C   UNL     1      -1.444   3.773   1.208  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.117   3.243   1.668  1.00  0.00           C  
HETATM   36  C   UNL     1       0.946   3.210   0.929  1.00  0.00           C  
HETATM   37  C   UNL     1       2.205   2.637   1.527  1.00  0.00           C  
HETATM   38  O   UNL     1       2.003   2.397   2.921  1.00  0.00           O  
HETATM   39  C   UNL     1       1.002   3.705  -0.487  1.00  0.00           C  
HETATM   40  O   UNL     1       1.742   2.778  -1.284  1.00  0.00           O  
HETATM   41  C   UNL     1      -0.413   3.843  -1.053  1.00  0.00           C  
HETATM   42  O   UNL     1      -0.367   4.547  -2.296  1.00  0.00           O  
HETATM   43  C   UNL     1      -1.261   4.627  -0.048  1.00  0.00           C  
HETATM   44  O   UNL     1      -2.539   4.916  -0.619  1.00  0.00           O  
HETATM   45  O   UNL     1      13.143  -1.018  -1.308  1.00  0.00           O  
HETATM   46  C   UNL     1      13.538  -1.635  -0.081  1.00  0.00           C  
HETATM   47  C   UNL     1      12.315  -2.132   0.647  1.00  0.00           C  
HETATM   48  C   UNL     1      12.512  -2.812   1.970  1.00  0.00           C  
HETATM   49  O   UNL     1      12.769  -1.828   2.974  1.00  0.00           O  
HETATM   50  C   UNL     1      11.258  -3.605   2.347  1.00  0.00           C  
HETATM   51  O   UNL     1      11.132  -4.739   1.487  1.00  0.00           O  
HETATM   52  C   UNL     1      10.037  -2.692   2.179  1.00  0.00           C  
HETATM   53  O   UNL     1      10.248  -1.472   2.893  1.00  0.00           O  
HETATM   54  C   UNL     1      11.160  -1.941   0.094  1.00  0.00           C  
HETATM   55  C   UNL     1       9.858  -2.392   0.689  1.00  0.00           C  
HETATM   56  N   UNL     1       8.857  -1.330   0.524  1.00  0.00           N  
HETATM   57  C   UNL     1       8.206  -1.421  -0.790  1.00  0.00           C  
HETATM   58  C   UNL     1       6.884  -2.182  -0.655  1.00  0.00           C  
HETATM   59  O   UNL     1       7.144  -3.521  -0.231  1.00  0.00           O  
HETATM   60  C   UNL     1       6.177  -2.202  -2.014  1.00  0.00           C  
HETATM   61  O   UNL     1       4.909  -2.847  -1.883  1.00  0.00           O  
HETATM   62  C   UNL     1       7.923  -0.012  -1.319  1.00  0.00           C  
HETATM   63  C   UNL     1       9.245   0.734  -1.515  1.00  0.00           C  
HETATM   64  O   UNL     1       7.238  -0.103  -2.570  1.00  0.00           O  
HETATM   65  C   UNL     1       5.973  -0.764  -2.496  1.00  0.00           C  
HETATM   66  O   UNL     1       5.126  -0.069  -1.578  1.00  0.00           O  
HETATM   67  C   UNL     1       4.747   1.238  -2.012  1.00  0.00           C  
HETATM   68  C   UNL     1       3.504   1.141  -2.902  1.00  0.00           C  
HETATM   69  O   UNL     1       3.815   0.391  -4.078  1.00  0.00           O  
HETATM   70  C   UNL     1       3.061   2.553  -3.297  1.00  0.00           C  
HETATM   71  O   UNL     1       1.860   2.478  -4.068  1.00  0.00           O  
HETATM   72  C   UNL     1       4.426   2.109  -0.794  1.00  0.00           C  
HETATM   73  C   UNL     1       5.680   2.260   0.069  1.00  0.00           C  
HETATM   74  O   UNL     1       6.747   2.779  -0.728  1.00  0.00           O  
HETATM   75  O   UNL     1       3.991   3.398  -1.233  1.00  0.00           O  
HETATM   76  C   UNL     1       2.805   3.373  -2.030  1.00  0.00           C  
HETATM   77  H   UNL     1      -9.165   2.260  -1.753  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.330   0.030  -1.948  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.865   0.396  -0.290  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.109  -0.563  -0.833  1.00  0.00           H  
HETATM   81  H   UNL     1     -12.486  -1.794  -2.413  1.00  0.00           H  
HETATM   82  H   UNL     1     -12.247  -1.339  -4.746  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.726  -2.387  -1.401  1.00  0.00           H  
HETATM   84  H   UNL     1     -11.541  -3.031  -0.403  1.00  0.00           H  
HETATM   85  H   UNL     1     -10.675  -5.250  -0.604  1.00  0.00           H  
HETATM   86  H   UNL     1     -10.169  -3.677  -3.055  1.00  0.00           H  
HETATM   87  H   UNL     1     -12.349  -4.537  -3.520  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.475  -3.822   0.790  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.450  -0.397   0.149  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.049   0.257  -0.090  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.590  -1.457   0.049  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.843  -0.786  -2.229  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.590  -1.408   2.350  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.494  -0.468   2.465  1.00  0.00           H  
HETATM   95  H   UNL     1      -8.209  -1.150   4.738  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.278  -3.241   2.868  1.00  0.00           H  
HETATM   97  H   UNL     1      -9.595  -3.798   3.042  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.750   0.431   4.224  1.00  0.00           H  
HETATM   99  H   UNL     1      -3.883   0.478   1.108  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.149  -1.142   1.731  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.381   0.314   1.054  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.390   0.049   2.814  1.00  0.00           H  
HETATM  103  H   UNL     1      -2.382   2.359   2.987  1.00  0.00           H  
HETATM  104  H   UNL     1      -4.959   2.762   1.397  1.00  0.00           H  
HETATM  105  H   UNL     1      -4.901   4.835   2.583  1.00  0.00           H  
HETATM  106  H   UNL     1      -4.488   2.542   4.407  1.00  0.00           H  
HETATM  107  H   UNL     1      -6.873   2.675   4.390  1.00  0.00           H  
HETATM  108  H   UNL     1      -3.008   2.899   0.194  1.00  0.00           H  
HETATM  109  H   UNL     1      -1.883   4.381   1.998  1.00  0.00           H  
HETATM  110  H   UNL     1      -0.044   2.867   2.677  1.00  0.00           H  
HETATM  111  H   UNL     1       2.450   1.699   1.029  1.00  0.00           H  
HETATM  112  H   UNL     1       3.024   3.344   1.395  1.00  0.00           H  
HETATM  113  H   UNL     1       2.796   2.099   3.388  1.00  0.00           H  
HETATM  114  H   UNL     1       1.497   4.675  -0.511  1.00  0.00           H  
HETATM  115  H   UNL     1      -0.846   2.854  -1.204  1.00  0.00           H  
HETATM  116  H   UNL     1      -1.231   4.670  -2.711  1.00  0.00           H  
HETATM  117  H   UNL     1      -0.754   5.556   0.213  1.00  0.00           H  
HETATM  118  H   UNL     1      -2.497   5.444  -1.428  1.00  0.00           H  
HETATM  119  H   UNL     1      13.881  -0.674  -1.830  1.00  0.00           H  
HETATM  120  H   UNL     1      14.200  -2.474  -0.293  1.00  0.00           H  
HETATM  121  H   UNL     1      14.060  -0.908   0.540  1.00  0.00           H  
HETATM  122  H   UNL     1      13.361  -3.491   1.905  1.00  0.00           H  
HETATM  123  H   UNL     1      13.556  -1.292   2.808  1.00  0.00           H  
HETATM  124  H   UNL     1      11.331  -3.934   3.384  1.00  0.00           H  
HETATM  125  H   UNL     1      11.879  -5.351   1.531  1.00  0.00           H  
HETATM  126  H   UNL     1       9.149  -3.194   2.561  1.00  0.00           H  
HETATM  127  H   UNL     1      10.386  -1.591   3.843  1.00  0.00           H  
HETATM  128  H   UNL     1      11.132  -1.429  -0.857  1.00  0.00           H  
HETATM  129  H   UNL     1       9.516  -3.292   0.178  1.00  0.00           H  
HETATM  130  H   UNL     1       8.176  -1.356   1.267  1.00  0.00           H  
HETATM  131  H   UNL     1       8.860  -1.946  -1.485  1.00  0.00           H  
HETATM  132  H   UNL     1       6.249  -1.683   0.078  1.00  0.00           H  
HETATM  133  H   UNL     1       6.350  -4.062  -0.124  1.00  0.00           H  
HETATM  134  H   UNL     1       6.790  -2.744  -2.734  1.00  0.00           H  
HETATM  135  H   UNL     1       4.405  -2.896  -2.707  1.00  0.00           H  
HETATM  136  H   UNL     1       7.303   0.527  -0.604  1.00  0.00           H  
HETATM  137  H   UNL     1       9.901   0.149  -2.158  1.00  0.00           H  
HETATM  138  H   UNL     1       9.050   1.702  -1.978  1.00  0.00           H  
HETATM  139  H   UNL     1       9.724   0.884  -0.547  1.00  0.00           H  
HETATM  140  H   UNL     1       5.509  -0.773  -3.482  1.00  0.00           H  
HETATM  141  H   UNL     1       5.565   1.687  -2.576  1.00  0.00           H  
HETATM  142  H   UNL     1       2.701   0.647  -2.355  1.00  0.00           H  
HETATM  143  H   UNL     1       3.072   0.289  -4.688  1.00  0.00           H  
HETATM  144  H   UNL     1       3.844   3.029  -3.887  1.00  0.00           H  
HETATM  145  H   UNL     1       1.521   3.338  -4.353  1.00  0.00           H  
HETATM  146  H   UNL     1       3.636   1.638  -0.209  1.00  0.00           H  
HETATM  147  H   UNL     1       5.474   2.945   0.891  1.00  0.00           H  
HETATM  148  H   UNL     1       5.965   1.287   0.469  1.00  0.00           H  
HETATM  149  H   UNL     1       7.593   2.837  -0.263  1.00  0.00           H  
HETATM  150  H   UNL     1       2.531   4.391  -2.305  1.00  0.00           H  
CONECT    1    2   77                                                 
CONECT    2    3    1   78   79                                       
CONECT    3    7    2    4   80                                       
CONECT    4    3    5                                                 
CONECT    5   10    4    6   81                                       
CONECT    6    5   82                                                 
CONECT    7   12    8    3   83                                       
CONECT    8    9    7   10   84                                       
CONECT    9    8   85                                                 
CONECT   10    8   11    5   86                                       
CONECT   11   10   87                                                 
CONECT   12   13    7                                                 
CONECT   13   21   14   12   88                                       
CONECT   14   15   13                                                 
CONECT   15   18   16   14   89                                       
CONECT   16   17   15   90   91                                       
CONECT   17   16   92                                                 
CONECT   18   23   19   15   93                                       
CONECT   19   20   18   21   94                                       
CONECT   20   19   95                                                 
CONECT   21   19   22   13   96                                       
CONECT   22   21   97                                                 
CONECT   23   24   18                                                 
CONECT   24   25   31   23   98                                       
CONECT   25   26   24                                                 
CONECT   26   27   28   25   99                                       
CONECT   27   26  100  101  102                                       
CONECT   28   33   26   29  103                                       
CONECT   29   28   31   30  104                                       
CONECT   30   29  105                                                 
CONECT   31   29   24   32  106                                       
CONECT   32   31  107                                                 
CONECT   33   34   28  108                                            
CONECT   34   35   43   33  109                                       
CONECT   35   36   36   34  110                                       
CONECT   36   37   39   35   35                                       
CONECT   37   38   36  111  112                                       
CONECT   38   37  113                                                 
CONECT   39   40   36   41  114                                       
CONECT   40   76   39                                                 
CONECT   41   39   42   43  115                                       
CONECT   42   41  116                                                 
CONECT   43   41   34   44  117                                       
CONECT   44   43  118                                                 
CONECT   45   46  119                                                 
CONECT   46   45   47  120  121                                       
CONECT   47   46   48   54   54                                       
CONECT   48   49   47   50  122                                       
CONECT   49   48  123                                                 
CONECT   50   48   51   52  124                                       
CONECT   51   50  125                                                 
CONECT   52   50   55   53  126                                       
CONECT   53   52  127                                                 
CONECT   54   47   47   55  128                                       
CONECT   55   54   52   56  129                                       
CONECT   56   55   57  130                                            
CONECT   57   56   62   58  131                                       
CONECT   58   57   59   60  132                                       
CONECT   59   58  133                                                 
CONECT   60   58   65   61  134                                       
CONECT   61   60  135                                                 
CONECT   62   63   57   64  136                                       
CONECT   63   62  137  138  139                                       
CONECT   64   62   65                                                 
CONECT   65   64   60   66  140                                       
CONECT   66   65   67                                                 
CONECT   67   66   72   68  141                                       
CONECT   68   67   69   70  142                                       
CONECT   69   68  143                                                 
CONECT   70   68   76   71  144                                       
CONECT   71   70  145                                                 
CONECT   72   73   67   75  146                                       
CONECT   73   74   72  147  148                                       
CONECT   74   73  149                                                 
CONECT   75   72   76                                                 
CONECT   76   75   70   40  150                                       
CONECT   77    1                                                      
CONECT   78    2                                                      
CONECT   79    2                                                      
CONECT   80    3                                                      
CONECT   81    5                                                      
CONECT   82    6                                                      
CONECT   83    7                                                      
CONECT   84    8                                                      
CONECT   85    9                                                      
CONECT   86   10                                                      
CONECT   87   11                                                      
CONECT   88   13                                                      
CONECT   89   15                                                      
CONECT   90   16                                                      
CONECT   91   16                                                      
CONECT   92   17                                                      
CONECT   93   18                                                      
CONECT   94   19                                                      
CONECT   95   20                                                      
CONECT   96   21                                                      
CONECT   97   22                                                      
CONECT   98   24                                                      
CONECT   99   26                                                      
CONECT  100   27                                                      
CONECT  101   27                                                      
CONECT  102   27                                                      
CONECT  103   28                                                      
CONECT  104   29                                                      
CONECT  105   30                                                      
CONECT  106   31                                                      
CONECT  107   32                                                      
CONECT  108   33                                                      
CONECT  109   34                                                      
CONECT  110   35                                                      
CONECT  111   37                                                      
CONECT  112   37                                                      
CONECT  113   38                                                      
CONECT  114   39                                                      
CONECT  115   41                                                      
CONECT  116   42                                                      
CONECT  117   43                                                      
CONECT  118   44                                                      
CONECT  119   45                                                      
CONECT  120   46                                                      
CONECT  121   46                                                      
CONECT  122   48                                                      
CONECT  123   49                                                      
CONECT  124   50                                                      
CONECT  125   51                                                      
CONECT  126   52                                                      
CONECT  127   53                                                      
CONECT  128   54                                                      
CONECT  129   55                                                      
CONECT  130   56                                                      
CONECT  131   57                                                      
CONECT  132   58                                                      
CONECT  133   59                                                      
CONECT  134   60                                                      
CONECT  135   61                                                      
CONECT  136   62                                                      
CONECT  137   63                                                      
CONECT  138   63                                                      
CONECT  139   63                                                      
CONECT  140   65                                                      
CONECT  141   67                                                      
CONECT  142   68                                                      
CONECT  143   69                                                      
CONECT  144   70                                                      
CONECT  145   71                                                      
CONECT  146   72                                                      
CONECT  147   73                                                      
CONECT  148   73                                                      
CONECT  149   74                                                      
CONECT  150   76                                                      
MASTER        0    0    0    0    0    0    0    0  150    0  150    0
END
