COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      10.983   0.012   0.223  1.00  0.00           N  
HETATM    2  C   UNL     1      10.007   2.193  -1.637  1.00  0.00           C  
HETATM    3  C   UNL     1     -12.027   0.337  -0.134  1.00  0.00           C  
HETATM    4  C   UNL     1       6.153   2.213   3.211  1.00  0.00           C  
HETATM    5  C   UNL     1      17.035  -3.287  -1.482  1.00  0.00           C  
HETATM    6  O   UNL     1       8.266   2.908  -3.217  1.00  0.00           O  
HETATM    7  N   UNL     1       7.972   2.093  -0.316  1.00  0.00           N  
HETATM    8  C   UNL     1       9.033   3.316  -2.083  1.00  0.00           C  
HETATM    9  C   UNL     1     -14.108   0.145   0.968  1.00  0.00           C  
HETATM   10  C   UNL     1       4.901   4.222   2.414  1.00  0.00           C  
HETATM   11  C   UNL     1      18.025  -5.202  -0.929  1.00  0.00           C  
HETATM   12  O   UNL     1       6.957   0.521   0.876  1.00  0.00           O  
HETATM   13  N   UNL     1       4.561   1.798   0.842  1.00  0.00           N  
HETATM   14  C   UNL     1       8.135   3.465  -0.830  1.00  0.00           C  
HETATM   15  C   UNL     1     -15.355  -0.736   1.073  1.00  0.00           C  
HETATM   16  C   UNL     1       7.365   4.053   2.033  1.00  0.00           C  
HETATM   17  C   UNL     1      16.215  -3.601  -0.456  1.00  0.00           C  
HETATM   18  O   UNL     1       3.334   3.577   0.342  1.00  0.00           O  
HETATM   19  F   UNL     1      -6.349  -4.949  -0.849  1.00  0.00           F  
HETATM   20  C   UNL     1      -7.320  -3.970  -0.615  1.00  0.00           C  
HETATM   21  F   UNL     1      -6.806  -3.001   0.254  1.00  0.00           F  
HETATM   22  F   UNL     1      -7.676  -3.367  -1.826  1.00  0.00           F  
HETATM   23  C   UNL     1      -8.536  -4.607   0.007  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.573  -5.963   0.260  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.712  -6.517   0.835  1.00  0.00           C  
HETATM   26  O   UNL     1      -9.753  -7.847   1.087  1.00  0.00           O  
HETATM   27  N   UNL     1     -10.757  -5.762   1.140  1.00  0.00           N  
HETATM   28  C   UNL     1     -10.765  -4.465   0.915  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.657  -3.835   0.346  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.670  -2.381   0.096  1.00  0.00           C  
HETATM   31  O   UNL     1      -8.699  -1.841  -0.400  1.00  0.00           O  
HETATM   32  N   UNL     1     -10.756  -1.651   0.417  1.00  0.00           N  
HETATM   33  C   UNL     1     -10.800  -0.286   0.105  1.00  0.00           C  
HETATM   34  N   UNL     1     -13.210  -0.401  -0.059  1.00  0.00           N  
HETATM   35  C   UNL     1     -13.881  -0.455  -1.366  1.00  0.00           C  
HETATM   36  C   UNL     1     -15.127  -1.336  -1.261  1.00  0.00           C  
HETATM   37  N   UNL     1     -16.025  -0.790  -0.234  1.00  0.00           N  
HETATM   38  C   UNL     1     -17.270  -1.566  -0.156  1.00  0.00           C  
HETATM   39  C   UNL     1     -12.072   1.691  -0.439  1.00  0.00           C  
HETATM   40  C   UNL     1     -10.906   2.423  -0.513  1.00  0.00           C  
HETATM   41  C   UNL     1      -9.628   0.446   0.031  1.00  0.00           C  
HETATM   42  C   UNL     1      -9.677   1.805  -0.282  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.424   2.592  -0.362  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.473   3.951  -0.675  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.310   4.683  -0.749  1.00  0.00           C  
HETATM   46  C   UNL     1      -7.196   1.975  -0.120  1.00  0.00           C  
HETATM   47  C   UNL     1      -6.032   2.705  -0.194  1.00  0.00           C  
HETATM   48  C   UNL     1      -6.080   4.065  -0.512  1.00  0.00           C  
HETATM   49  C   UNL     1      -4.831   4.850  -0.592  1.00  0.00           C  
HETATM   50  O   UNL     1      -4.874   6.034  -0.864  1.00  0.00           O  
HETATM   51  N   UNL     1      -3.645   4.253  -0.363  1.00  0.00           N  
HETATM   52  C   UNL     1      -2.406   5.032  -0.442  1.00  0.00           C  
HETATM   53  C   UNL     1      -1.230   4.136  -0.146  1.00  0.00           C  
HETATM   54  C   UNL     1      -0.599   3.461  -1.174  1.00  0.00           C  
HETATM   55  C   UNL     1       0.478   2.640  -0.902  1.00  0.00           C  
HETATM   56  C   UNL     1      -0.779   3.995   1.153  1.00  0.00           C  
HETATM   57  C   UNL     1       0.298   3.172   1.425  1.00  0.00           C  
HETATM   58  C   UNL     1       0.925   2.493   0.398  1.00  0.00           C  
HETATM   59  C   UNL     1       2.100   1.596   0.694  1.00  0.00           C  
HETATM   60  C   UNL     1       3.375   2.396   0.613  1.00  0.00           C  
HETATM   61  C   UNL     1       5.800   2.575   0.764  1.00  0.00           C  
HETATM   62  C   UNL     1       6.055   3.266   2.105  1.00  0.00           C  
HETATM   63  C   UNL     1       6.951   1.656   0.446  1.00  0.00           C  
HETATM   64  C   UNL     1       9.109   1.280  -0.774  1.00  0.00           C  
HETATM   65  C   UNL     1       9.886   0.771   0.412  1.00  0.00           C  
HETATM   66  O   UNL     1       9.523   1.043   1.537  1.00  0.00           O  
HETATM   67  C   UNL     1      11.735  -0.489   1.377  1.00  0.00           C  
HETATM   68  C   UNL     1      12.908  -1.304   0.897  1.00  0.00           C  
HETATM   69  C   UNL     1      14.125  -0.688   0.663  1.00  0.00           C  
HETATM   70  C   UNL     1      15.203  -1.429   0.223  1.00  0.00           C  
HETATM   71  C   UNL     1      12.766  -2.665   0.697  1.00  0.00           C  
HETATM   72  C   UNL     1      13.836  -3.417   0.259  1.00  0.00           C  
HETATM   73  C   UNL     1      15.064  -2.801   0.015  1.00  0.00           C  
HETATM   74  C   UNL     1      16.874  -2.035  -2.306  1.00  0.00           C  
HETATM   75  S   UNL     1      16.761  -5.134   0.220  1.00  0.00           S  
HETATM   76  N   UNL     1      17.990  -4.165  -1.697  1.00  0.00           N  
HETATM   77  H   UNL     1      11.274  -0.206  -0.676  1.00  0.00           H  
HETATM   78  H   UNL     1      10.391   1.650  -2.500  1.00  0.00           H  
HETATM   79  H   UNL     1      10.823   2.603  -1.043  1.00  0.00           H  
HETATM   80  H   UNL     1       6.335   2.705   4.166  1.00  0.00           H  
HETATM   81  H   UNL     1       5.220   1.652   3.262  1.00  0.00           H  
HETATM   82  H   UNL     1       6.975   1.531   2.991  1.00  0.00           H  
HETATM   83  H   UNL     1       7.644   3.578  -3.533  1.00  0.00           H  
HETATM   84  H   UNL     1       9.573   4.240  -2.290  1.00  0.00           H  
HETATM   85  H   UNL     1     -14.401   1.159   0.693  1.00  0.00           H  
HETATM   86  H   UNL     1     -13.594   0.163   1.929  1.00  0.00           H  
HETATM   87  H   UNL     1       5.083   4.714   3.369  1.00  0.00           H  
HETATM   88  H   UNL     1       4.831   4.973   1.626  1.00  0.00           H  
HETATM   89  H   UNL     1       3.968   3.662   2.465  1.00  0.00           H  
HETATM   90  H   UNL     1      18.752  -5.997  -0.999  1.00  0.00           H  
HETATM   91  H   UNL     1       4.594   0.853   1.059  1.00  0.00           H  
HETATM   92  H   UNL     1       7.167   3.885  -1.105  1.00  0.00           H  
HETATM   93  H   UNL     1       8.624   4.093  -0.085  1.00  0.00           H  
HETATM   94  H   UNL     1     -15.065  -1.742   1.374  1.00  0.00           H  
HETATM   95  H   UNL     1     -16.036  -0.316   1.814  1.00  0.00           H  
HETATM   96  H   UNL     1       8.174   3.385   1.739  1.00  0.00           H  
HETATM   97  H   UNL     1       7.268   4.852   1.298  1.00  0.00           H  
HETATM   98  H   UNL     1       7.585   4.483   3.010  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.726  -6.587   0.015  1.00  0.00           H  
HETATM  100  H   UNL     1     -11.636  -3.883   1.177  1.00  0.00           H  
HETATM  101  H   UNL     1     -11.507  -2.070   0.865  1.00  0.00           H  
HETATM  102  H   UNL     1     -14.171   0.552  -1.667  1.00  0.00           H  
HETATM  103  H   UNL     1     -13.200  -0.874  -2.107  1.00  0.00           H  
HETATM  104  H   UNL     1     -15.642  -1.354  -2.222  1.00  0.00           H  
HETATM  105  H   UNL     1     -14.835  -2.349  -0.987  1.00  0.00           H  
HETATM  106  H   UNL     1     -17.944  -1.101   0.564  1.00  0.00           H  
HETATM  107  H   UNL     1     -17.746  -1.590  -1.136  1.00  0.00           H  
HETATM  108  H   UNL     1     -17.044  -2.583   0.163  1.00  0.00           H  
HETATM  109  H   UNL     1     -13.022   2.172  -0.619  1.00  0.00           H  
HETATM  110  H   UNL     1     -10.943   3.476  -0.751  1.00  0.00           H  
HETATM  111  H   UNL     1      -8.678  -0.033   0.215  1.00  0.00           H  
HETATM  112  H   UNL     1      -9.424   4.429  -0.859  1.00  0.00           H  
HETATM  113  H   UNL     1      -7.349   5.735  -0.992  1.00  0.00           H  
HETATM  114  H   UNL     1      -7.159   0.924   0.126  1.00  0.00           H  
HETATM  115  H   UNL     1      -5.081   2.228  -0.006  1.00  0.00           H  
HETATM  116  H   UNL     1      -3.611   3.309  -0.145  1.00  0.00           H  
HETATM  117  H   UNL     1      -2.302   5.448  -1.444  1.00  0.00           H  
HETATM  118  H   UNL     1      -2.439   5.841   0.287  1.00  0.00           H  
HETATM  119  H   UNL     1      -0.949   3.576  -2.190  1.00  0.00           H  
HETATM  120  H   UNL     1       0.971   2.112  -1.706  1.00  0.00           H  
HETATM  121  H   UNL     1      -1.270   4.525   1.956  1.00  0.00           H  
HETATM  122  H   UNL     1       0.650   3.061   2.440  1.00  0.00           H  
HETATM  123  H   UNL     1       1.995   1.179   1.695  1.00  0.00           H  
HETATM  124  H   UNL     1       2.132   0.787  -0.035  1.00  0.00           H  
HETATM  125  H   UNL     1       5.709   3.327  -0.020  1.00  0.00           H  
HETATM  126  H   UNL     1       8.749   0.443  -1.372  1.00  0.00           H  
HETATM  127  H   UNL     1      12.095   0.353   1.969  1.00  0.00           H  
HETATM  128  H   UNL     1      11.086  -1.113   1.991  1.00  0.00           H  
HETATM  129  H   UNL     1      14.231   0.375   0.824  1.00  0.00           H  
HETATM  130  H   UNL     1      16.152  -0.947   0.040  1.00  0.00           H  
HETATM  131  H   UNL     1      11.814  -3.141   0.886  1.00  0.00           H  
HETATM  132  H   UNL     1      13.723  -4.480   0.104  1.00  0.00           H  
HETATM  133  H   UNL     1      17.376  -1.206  -1.807  1.00  0.00           H  
HETATM  134  H   UNL     1      17.316  -2.188  -3.290  1.00  0.00           H  
HETATM  135  H   UNL     1      15.814  -1.806  -2.415  1.00  0.00           H  
HETATM  136  H   UNL     1      -9.428  -8.092   1.964  1.00  0.00           H  
CONECT    1   67   65   77                                            
CONECT    2   64    8   78   79                                       
CONECT    3   33   33   39   34                                       
CONECT    4   62   80   81   82                                       
CONECT    5   76   74   17   17                                       
CONECT    6    8   83                                                 
CONECT    7   64   14   63                                            
CONECT    8    2    6   14   84                                       
CONECT    9   34   15   85   86                                       
CONECT   10   62   87   88   89                                       
CONECT   11   76   76   75   90                                       
CONECT   12   63   63                                                 
CONECT   13   61   60   91                                            
CONECT   14    8    7   92   93                                       
CONECT   15    9   37   94   95                                       
CONECT   16   62   96   97   98                                       
CONECT   17    5    5   75   73                                       
CONECT   18   60   60                                                 
CONECT   19   20                                                      
CONECT   20   23   19   21   22                                       
CONECT   21   20                                                      
CONECT   22   20                                                      
CONECT   23   29   29   24   20                                       
CONECT   24   25   25   23   99                                       
CONECT   25   27   26   24   24                                       
CONECT   26   25  136                                                 
CONECT   27   28   28   25                                            
CONECT   28   27   27   29  100                                       
CONECT   29   28   30   23   23                                       
CONECT   30   32   29   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   33   30  101                                            
CONECT   33   41   32    3    3                                       
CONECT   34    3    9   35                                            
CONECT   35   34   36  102  103                                       
CONECT   36   35   37  104  105                                       
CONECT   37   15   36   38                                            
CONECT   38   37  106  107  108                                       
CONECT   39   40   40    3  109                                       
CONECT   40   42   39   39  110                                       
CONECT   41   42   42   33  111                                       
CONECT   42   43   41   41   40                                       
CONECT   43   44   44   46   42                                       
CONECT   44   45   43   43  112                                       
CONECT   45   48   48   44  113                                       
CONECT   46   47   47   43  114                                       
CONECT   47   48   46   46  115                                       
CONECT   48   49   45   45   47                                       
CONECT   49   51   50   50   48                                       
CONECT   50   49   49                                                 
CONECT   51   52   49  116                                            
CONECT   52   53   51  117  118                                       
CONECT   53   54   54   56   52                                       
CONECT   54   55   53   53  119                                       
CONECT   55   58   58   54  120                                       
CONECT   56   57   57   53  121                                       
CONECT   57   58   56   56  122                                       
CONECT   58   59   55   55   57                                       
CONECT   59   60   58  123  124                                       
CONECT   60   13   18   18   59                                       
CONECT   61   63   13   62  125                                       
CONECT   62   61   16    4   10                                       
CONECT   63    7   12   12   61                                       
CONECT   64    2   65    7  126                                       
CONECT   65    1   64   66   66                                       
CONECT   66   65   65                                                 
CONECT   67   68    1  127  128                                       
CONECT   68   71   71   69   67                                       
CONECT   69   70   70   68  129                                       
CONECT   70   73   69   69  130                                       
CONECT   71   72   68   68  131                                       
CONECT   72   73   73   71  132                                       
CONECT   73   17   72   72   70                                       
CONECT   74    5  133  134  135                                       
CONECT   75   11   17                                                 
CONECT   76   11   11    5                                            
CONECT   77    1                                                      
CONECT   78    2                                                      
CONECT   79    2                                                      
CONECT   80    4                                                      
CONECT   81    4                                                      
CONECT   82    4                                                      
CONECT   83    6                                                      
CONECT   84    8                                                      
CONECT   85    9                                                      
CONECT   86    9                                                      
CONECT   87   10                                                      
CONECT   88   10                                                      
CONECT   89   10                                                      
CONECT   90   11                                                      
CONECT   91   13                                                      
CONECT   92   14                                                      
CONECT   93   14                                                      
CONECT   94   15                                                      
CONECT   95   15                                                      
CONECT   96   16                                                      
CONECT   97   16                                                      
CONECT   98   16                                                      
CONECT   99   24                                                      
CONECT  100   28                                                      
CONECT  101   32                                                      
CONECT  102   35                                                      
CONECT  103   35                                                      
CONECT  104   36                                                      
CONECT  105   36                                                      
CONECT  106   38                                                      
CONECT  107   38                                                      
CONECT  108   38                                                      
CONECT  109   39                                                      
CONECT  110   40                                                      
CONECT  111   41                                                      
CONECT  112   44                                                      
CONECT  113   45                                                      
CONECT  114   46                                                      
CONECT  115   47                                                      
CONECT  116   51                                                      
CONECT  117   52                                                      
CONECT  118   52                                                      
CONECT  119   54                                                      
CONECT  120   55                                                      
CONECT  121   56                                                      
CONECT  122   57                                                      
CONECT  123   59                                                      
CONECT  124   59                                                      
CONECT  125   61                                                      
CONECT  126   64                                                      
CONECT  127   67                                                      
CONECT  128   67                                                      
CONECT  129   69                                                      
CONECT  130   70                                                      
CONECT  131   71                                                      
CONECT  132   72                                                      
CONECT  133   74                                                      
CONECT  134   74                                                      
CONECT  135   74                                                      
CONECT  136   26                                                      
MASTER        0    0    0    0    0    0    0    0  136    0  136    0
END
