COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      10.132  -4.874  -1.691  1.00  0.00           N  
HETATM    2  C   UNL     1       7.944  -4.063  -2.634  1.00  0.00           C  
HETATM    3  O   UNL     1      10.836  -1.295   4.148  1.00  0.00           O  
HETATM    4  C   UNL     1       9.172  -3.988  -1.763  1.00  0.00           C  
HETATM    5  C   UNL     1      12.838   2.792  -0.676  1.00  0.00           C  
HETATM    6  C   UNL     1      12.137   3.437  -1.682  1.00  0.00           C  
HETATM    7  C   UNL     1      11.015   2.847  -2.239  1.00  0.00           C  
HETATM    8  C   UNL     1      10.590   1.612  -1.795  1.00  0.00           C  
HETATM    9  C   UNL     1       9.383  -0.617  -0.285  1.00  0.00           C  
HETATM   10  C   UNL     1       8.789  -1.829  -0.605  1.00  0.00           C  
HETATM   11  C   UNL     1       7.164  -0.017  -0.076  1.00  0.00           C  
HETATM   12  C   UNL     1       6.003   0.836   0.185  1.00  0.00           C  
HETATM   13  C   UNL     1       3.595   1.192   0.313  1.00  0.00           C  
HETATM   14  C   UNL     1       2.312   0.389   0.090  1.00  0.00           C  
HETATM   15  C   UNL     1      10.686  -3.336  -0.345  1.00  0.00           C  
HETATM   16  C   UNL     1       1.099   1.280   0.364  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.184   0.478   0.140  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.397   1.369   0.414  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.681   0.566   0.191  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.894   1.457   0.464  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.177   0.655   0.241  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.584   1.011   0.369  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.779   1.889   0.638  1.00  0.00           C  
HETATM   24  C   UNL     1     -11.152   1.786   0.631  1.00  0.00           C  
HETATM   25  C   UNL     1     -11.157   3.124   1.024  1.00  0.00           C  
HETATM   26  C   UNL     1      11.444  -2.505   0.658  1.00  0.00           C  
HETATM   27  C   UNL     1     -12.349   3.786   1.230  1.00  0.00           C  
HETATM   28  C   UNL     1     -13.560   3.132   1.050  1.00  0.00           C  
HETATM   29  C   UNL     1     -13.575   1.804   0.660  1.00  0.00           C  
HETATM   30  C   UNL     1     -14.644   0.822   0.382  1.00  0.00           C  
HETATM   31  C   UNL     1     -14.813  -1.559  -0.316  1.00  0.00           C  
HETATM   32  C   UNL     1     -15.689  -1.983   0.867  1.00  0.00           C  
HETATM   33  C   UNL     1     -16.537  -3.186   0.440  1.00  0.00           C  
HETATM   34  C   UNL     1     -17.321  -2.825  -0.794  1.00  0.00           C  
HETATM   35  C   UNL     1     -15.691  -1.287  -1.509  1.00  0.00           C  
HETATM   36  C   UNL     1     -12.359   1.122   0.442  1.00  0.00           C  
HETATM   37  C   UNL     1      10.586  -2.306   1.909  1.00  0.00           C  
HETATM   38  C   UNL     1     -12.730  -0.248   0.045  1.00  0.00           C  
HETATM   39  C   UNL     1       8.446   0.373   0.025  1.00  0.00           C  
HETATM   40  C   UNL     1       8.843   1.766   0.440  1.00  0.00           C  
HETATM   41  C   UNL     1      11.389  -1.581   2.958  1.00  0.00           C  
HETATM   42  C   UNL     1      11.668  -0.595   5.110  1.00  0.00           C  
HETATM   43  C   UNL     1      10.841  -0.369  -0.302  1.00  0.00           C  
HETATM   44  C   UNL     1      11.293   0.958  -0.782  1.00  0.00           C  
HETATM   45  C   UNL     1      12.422   1.557  -0.225  1.00  0.00           C  
HETATM   46  N   UNL     1      11.027  -4.487  -0.849  1.00  0.00           N  
HETATM   47  N   UNL     1      11.757  -1.203   0.065  1.00  0.00           N  
HETATM   48  N   UNL     1       4.757   0.338   0.052  1.00  0.00           N  
HETATM   49  N   UNL     1      -6.339   1.508   0.503  1.00  0.00           N  
HETATM   50  N   UNL     1     -14.072  -0.345   0.034  1.00  0.00           N  
HETATM   51  N   UNL     1     -16.860  -1.924  -1.673  1.00  0.00           N  
HETATM   52  N   UNL     1       9.495  -2.991  -0.904  1.00  0.00           N  
HETATM   53  O   UNL     1      12.530  -1.257   2.729  1.00  0.00           O  
HETATM   54  O   UNL     1      -9.977   1.139   0.430  1.00  0.00           O  
HETATM   55  O   UNL     1     -15.335  -0.475  -2.336  1.00  0.00           O  
HETATM   56  O   UNL     1     -18.390  -3.360  -0.996  1.00  0.00           O  
HETATM   57  O   UNL     1     -15.838   1.033   0.456  1.00  0.00           O  
HETATM   58  O   UNL     1     -11.954  -1.141  -0.229  1.00  0.00           O  
HETATM   59  O   UNL     1      -7.743  -0.143   0.032  1.00  0.00           O  
HETATM   60  O   UNL     1       6.162   1.994   0.524  1.00  0.00           O  
HETATM   61  S   UNL     1       7.087  -1.700  -0.569  1.00  0.00           S  
HETATM   62 CL   UNL     1      12.667   4.991  -2.245  1.00  0.00          Cl  
HETATM   63  H   UNL     1       7.144  -4.566  -2.091  1.00  0.00           H  
HETATM   64  H   UNL     1       7.625  -3.055  -2.898  1.00  0.00           H  
HETATM   65  H   UNL     1       8.174  -4.621  -3.541  1.00  0.00           H  
HETATM   66  H   UNL     1      13.715   3.255  -0.248  1.00  0.00           H  
HETATM   67  H   UNL     1      10.472   3.354  -3.022  1.00  0.00           H  
HETATM   68  H   UNL     1       9.715   1.152  -2.229  1.00  0.00           H  
HETATM   69  H   UNL     1       3.612   2.046  -0.364  1.00  0.00           H  
HETATM   70  H   UNL     1       3.629   1.545   1.344  1.00  0.00           H  
HETATM   71  H   UNL     1       2.279   0.036  -0.941  1.00  0.00           H  
HETATM   72  H   UNL     1       2.296  -0.465   0.767  1.00  0.00           H  
HETATM   73  H   UNL     1       1.132   1.633   1.395  1.00  0.00           H  
HETATM   74  H   UNL     1       1.116   2.135  -0.313  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.217   0.125  -0.890  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.201  -0.377   0.817  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.364   1.722   1.445  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.381   2.223  -0.263  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.714   0.213  -0.840  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.697  -0.288   0.868  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.861   1.810   1.495  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.877   2.312  -0.213  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.210   0.302  -0.790  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.194  -0.199   0.918  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.746   2.241   1.669  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.762   2.743  -0.039  1.00  0.00           H  
HETATM   87  H   UNL     1     -10.222   3.645   1.168  1.00  0.00           H  
HETATM   88  H   UNL     1      12.369  -3.014   0.928  1.00  0.00           H  
HETATM   89  H   UNL     1     -12.340   4.823   1.535  1.00  0.00           H  
HETATM   90  H   UNL     1     -14.489   3.659   1.214  1.00  0.00           H  
HETATM   91  H   UNL     1     -14.112  -2.359  -0.555  1.00  0.00           H  
HETATM   92  H   UNL     1     -15.057  -2.262   1.710  1.00  0.00           H  
HETATM   93  H   UNL     1     -16.340  -1.157   1.156  1.00  0.00           H  
HETATM   94  H   UNL     1     -15.885  -4.032   0.223  1.00  0.00           H  
HETATM   95  H   UNL     1     -17.224  -3.452   1.244  1.00  0.00           H  
HETATM   96  H   UNL     1       9.704  -1.718   1.655  1.00  0.00           H  
HETATM   97  H   UNL     1      10.276  -3.277   2.295  1.00  0.00           H  
HETATM   98  H   UNL     1       8.826   2.423  -0.429  1.00  0.00           H  
HETATM   99  H   UNL     1       8.141   2.136   1.188  1.00  0.00           H  
HETATM  100  H   UNL     1       9.847   1.747   0.863  1.00  0.00           H  
HETATM  101  H   UNL     1      11.101  -0.427   6.026  1.00  0.00           H  
HETATM  102  H   UNL     1      12.549  -1.196   5.333  1.00  0.00           H  
HETATM  103  H   UNL     1      11.977   0.363   4.693  1.00  0.00           H  
HETATM  104  H   UNL     1      12.972   1.053   0.556  1.00  0.00           H  
HETATM  105  H   UNL     1       4.630  -0.585  -0.218  1.00  0.00           H  
HETATM  106  H   UNL     1      -6.211   2.431   0.772  1.00  0.00           H  
HETATM  107  H   UNL     1     -17.392  -1.726  -2.460  1.00  0.00           H  
CONECT    1   46    4    4                                            
CONECT    2    4   63   64   65                                       
CONECT    3   42   41                                                 
CONECT    4   52    1    1    2                                       
CONECT    5    6   45   45   66                                       
CONECT    6   62    7    7    5                                       
CONECT    7    6    6    8   67                                       
CONECT    8    7   44   44   68                                       
CONECT    9   43   39   10   10                                       
CONECT   10    9    9   52   61                                       
CONECT   11   39   39   12   61                                       
CONECT   12   48   11   60   60                                       
CONECT   13   48   14   69   70                                       
CONECT   14   13   16   71   72                                       
CONECT   15   26   46   46   52                                       
CONECT   16   17   14   73   74                                       
CONECT   17   16   18   75   76                                       
CONECT   18   17   19   77   78                                       
CONECT   19   20   18   79   80                                       
CONECT   20   21   19   81   82                                       
CONECT   21   49   20   83   84                                       
CONECT   22   23   49   59   59                                       
CONECT   23   54   22   85   86                                       
CONECT   24   36   36   25   54                                       
CONECT   25   27   27   24   87                                       
CONECT   26   47   37   15   88                                       
CONECT   27   28   25   25   89                                       
CONECT   28   29   29   27   90                                       
CONECT   29   30   28   28   36                                       
CONECT   30   57   57   50   29                                       
CONECT   31   35   32   50   91                                       
CONECT   32   33   31   92   93                                       
CONECT   33   34   32   94   95                                       
CONECT   34   56   56   33   51                                       
CONECT   35   51   31   55   55                                       
CONECT   36   29   38   24   24                                       
CONECT   37   41   26   96   97                                       
CONECT   38   50   36   58   58                                       
CONECT   39   40    9   11   11                                       
CONECT   40   39   98   99  100                                       
CONECT   41    3   53   53   37                                       
CONECT   42    3  101  102  103                                       
CONECT   43   44   47   47    9                                       
CONECT   44    8    8   45   43                                       
CONECT   45    5    5   44  104                                       
CONECT   46   15   15    1                                            
CONECT   47   43   43   26                                            
CONECT   48   13   12  105                                            
CONECT   49   22   21  106                                            
CONECT   50   31   30   38                                            
CONECT   51   34   35  107                                            
CONECT   52   15   10    4                                            
CONECT   53   41   41                                                 
CONECT   54   24   23                                                 
CONECT   55   35   35                                                 
CONECT   56   34   34                                                 
CONECT   57   30   30                                                 
CONECT   58   38   38                                                 
CONECT   59   22   22                                                 
CONECT   60   12   12                                                 
CONECT   61   11   10                                                 
CONECT   62    6                                                      
CONECT   63    2                                                      
CONECT   64    2                                                      
CONECT   65    2                                                      
CONECT   66    5                                                      
CONECT   67    7                                                      
CONECT   68    8                                                      
CONECT   69   13                                                      
CONECT   70   13                                                      
CONECT   71   14                                                      
CONECT   72   14                                                      
CONECT   73   16                                                      
CONECT   74   16                                                      
CONECT   75   17                                                      
CONECT   76   17                                                      
CONECT   77   18                                                      
CONECT   78   18                                                      
CONECT   79   19                                                      
CONECT   80   19                                                      
CONECT   81   20                                                      
CONECT   82   20                                                      
CONECT   83   21                                                      
CONECT   84   21                                                      
CONECT   85   23                                                      
CONECT   86   23                                                      
CONECT   87   25                                                      
CONECT   88   26                                                      
CONECT   89   27                                                      
CONECT   90   28                                                      
CONECT   91   31                                                      
CONECT   92   32                                                      
CONECT   93   32                                                      
CONECT   94   33                                                      
CONECT   95   33                                                      
CONECT   96   37                                                      
CONECT   97   37                                                      
CONECT   98   40                                                      
CONECT   99   40                                                      
CONECT  100   40                                                      
CONECT  101   42                                                      
CONECT  102   42                                                      
CONECT  103   42                                                      
CONECT  104   45                                                      
CONECT  105   48                                                      
CONECT  106   49                                                      
CONECT  107   51                                                      
MASTER        0    0    0    0    0    0    0    0  107    0  107    0
END
