COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.845   1.265   1.845  1.00  0.00           C  
HETATM    2  C   UNL     1       0.181   2.882  -0.358  1.00  0.00           C  
HETATM    3  C   UNL     1       2.306   4.003  -1.048  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.017  -2.042   1.070  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.257  -2.885  -0.166  1.00  0.00           C  
HETATM    6  C   UNL     1       1.230  -0.143   1.812  1.00  0.00           C  
HETATM    7  C   UNL     1       0.517  -1.496   1.698  1.00  0.00           C  
HETATM    8  C   UNL     1       2.648  -0.266   1.322  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.790  -1.227   0.937  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.826   0.285   0.680  1.00  0.00           C  
HETATM   11  C   UNL     1       1.004   1.990   0.534  1.00  0.00           C  
HETATM   12  C   UNL     1       5.025   0.001   1.580  1.00  0.00           C  
HETATM   13  C   UNL     1       5.148  -0.647   0.228  1.00  0.00           C  
HETATM   14  C   UNL     1       6.233  -0.054   2.514  1.00  0.00           C  
HETATM   15  C   UNL     1       0.886   4.229  -0.526  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.197   3.385  -0.532  1.00  0.00           C  
HETATM   17  C   UNL     1       3.247   5.045  -0.439  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.153  -2.434   1.794  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.110  -2.489  -0.900  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.139  -2.536  -2.304  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.400  -3.317  -0.856  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.132  -2.387   3.300  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.263  -2.960  -2.943  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.395  -3.351  -2.221  1.00  0.00           C  
HETATM   25  C   UNL     1       6.953  -2.594  -1.618  1.00  0.00           C  
HETATM   26  C   UNL     1       7.528  -3.199  -2.900  1.00  0.00           C  
HETATM   27  C   UNL     1       7.458  -1.680  -2.736  1.00  0.00           C  
HETATM   28  C   UNL     1       7.800  -2.693  -0.348  1.00  0.00           C  
HETATM   29  C   UNL     1       6.705   1.776   0.719  1.00  0.00           C  
HETATM   30  C   UNL     1       6.321   2.837   0.047  1.00  0.00           C  
HETATM   31  C   UNL     1       5.031   3.522   0.419  1.00  0.00           C  
HETATM   32  C   UNL     1       4.697   4.592  -0.621  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.520   3.799  -0.889  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.855   3.229  -0.350  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.936   4.114  -1.005  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.255   5.446  -1.364  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.781   5.326  -0.917  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.343   5.403  -0.289  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.437  -3.784  -4.314  1.00  0.00           C  
HETATM   40  F   UNL     1      -4.975  -3.380   3.810  1.00  0.00           F  
HETATM   41  F   UNL     1      -2.827  -2.604   3.755  1.00  0.00           F  
HETATM   42  F   UNL     1      -4.574  -1.132   3.734  1.00  0.00           F  
HETATM   43  N   UNL     1       0.508   0.815   0.969  1.00  0.00           N  
HETATM   44  N   UNL     1       3.679  -0.043   2.181  1.00  0.00           N  
HETATM   45  N   UNL     1      -1.137   3.092   0.247  1.00  0.00           N  
HETATM   46  N   UNL     1      -3.017  -2.076  -0.247  1.00  0.00           N  
HETATM   47  N   UNL     1      -5.234  -2.842   1.172  1.00  0.00           N  
HETATM   48  N   UNL     1       4.896  -1.963   0.085  1.00  0.00           N  
HETATM   49  O   UNL     1      -1.911  -1.619   1.732  1.00  0.00           O  
HETATM   50  O   UNL     1       2.870  -0.562   0.167  1.00  0.00           O  
HETATM   51  O   UNL     1       2.121   2.331   0.862  1.00  0.00           O  
HETATM   52  O   UNL     1      -3.425   3.482   0.011  1.00  0.00           O  
HETATM   53  O   UNL     1      -2.044   3.560  -1.725  1.00  0.00           O  
HETATM   54  O   UNL     1       5.474   0.016  -0.734  1.00  0.00           O  
HETATM   55  O   UNL     1       4.476  -1.883  -2.310  1.00  0.00           O  
HETATM   56  O   UNL     1       4.766  -4.052  -1.156  1.00  0.00           O  
HETATM   57  O   UNL     1      -7.503  -3.770  -2.886  1.00  0.00           O  
HETATM   58  S   UNL     1       5.159  -2.703  -1.372  1.00  0.00           S  
HETATM   59  H   UNL     1       5.393   2.033   2.474  1.00  0.00           H  
HETATM   60  H   UNL     1       0.062   2.410  -1.333  1.00  0.00           H  
HETATM   61  H   UNL     1       2.641   3.004  -0.769  1.00  0.00           H  
HETATM   62  H   UNL     1       2.313   4.098  -2.134  1.00  0.00           H  
HETATM   63  H   UNL     1       1.220   0.195   2.848  1.00  0.00           H  
HETATM   64  H   UNL     1       1.137  -2.200   1.143  1.00  0.00           H  
HETATM   65  H   UNL     1       0.300  -1.890   2.691  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.792  -1.770  -0.009  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.082   0.477  -0.362  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.561   0.754   1.334  1.00  0.00           H  
HETATM   69  H   UNL     1       7.128  -0.558   2.151  1.00  0.00           H  
HETATM   70  H   UNL     1       6.039  -0.152   3.582  1.00  0.00           H  
HETATM   71  H   UNL     1       0.331   4.842  -1.237  1.00  0.00           H  
HETATM   72  H   UNL     1       0.929   4.739   0.436  1.00  0.00           H  
HETATM   73  H   UNL     1       3.100   6.003  -0.938  1.00  0.00           H  
HETATM   74  H   UNL     1       3.030   5.152   0.624  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.272  -2.237  -2.874  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.281  -3.621  -0.309  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.281  -2.995  -4.022  1.00  0.00           H  
HETATM   78  H   UNL     1       8.510  -3.668  -2.839  1.00  0.00           H  
HETATM   79  H   UNL     1       6.828  -3.663  -3.596  1.00  0.00           H  
HETATM   80  H   UNL     1       6.713  -1.143  -3.323  1.00  0.00           H  
HETATM   81  H   UNL     1       8.395  -1.148  -2.566  1.00  0.00           H  
HETATM   82  H   UNL     1       8.751  -2.184  -0.506  1.00  0.00           H  
HETATM   83  H   UNL     1       7.269  -2.223   0.480  1.00  0.00           H  
HETATM   84  H   UNL     1       7.984  -3.741  -0.115  1.00  0.00           H  
HETATM   85  H   UNL     1       7.626   1.277   0.464  1.00  0.00           H  
HETATM   86  H   UNL     1       6.924   3.212  -0.764  1.00  0.00           H  
HETATM   87  H   UNL     1       4.227   2.787   0.454  1.00  0.00           H  
HETATM   88  H   UNL     1       5.138   3.989   1.398  1.00  0.00           H  
HETATM   89  H   UNL     1       4.827   4.180  -1.621  1.00  0.00           H  
HETATM   90  H   UNL     1       5.363   5.446  -0.491  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.315   3.424  -1.891  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.977   2.190  -0.655  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.896   3.315   0.736  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.634   3.632  -1.690  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.450   5.945  -2.313  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.648   5.751   0.077  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.124   5.817  -1.635  1.00  0.00           H  
HETATM   98  H   UNL     1      -8.314   5.831  -0.538  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.030   5.521   0.749  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.385  -4.138  -4.718  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.240  -2.775  -4.678  1.00  0.00           H  
HETATM  102  H   UNL     1      -6.634  -4.448  -4.634  1.00  0.00           H  
HETATM  103  H   UNL     1       3.537   0.080   3.133  1.00  0.00           H  
HETATM  104  H   UNL     1      -1.246   3.022   1.208  1.00  0.00           H  
HETATM  105  H   UNL     1       4.560  -2.477   0.837  1.00  0.00           H  
CONECT    1   14   12   29   59                                       
CONECT    2   45   11   15   60                                       
CONECT    3   15   17   61   62                                       
CONECT    4   18   49   46   46                                       
CONECT    5   47   21   21   19                                       
CONECT    6    8   43    7   63                                       
CONECT    7    6    9   64   65                                       
CONECT    8   44    6   50   50                                       
CONECT    9   49    7   10   66                                       
CONECT   10   43    9   67   68                                       
CONECT   11   51   51    2   43                                       
CONECT   12   14    1   44   13                                       
CONECT   13   12   54   54   48                                       
CONECT   14    1   12   69   70                                       
CONECT   15    2    3   71   72                                       
CONECT   16   52   45   53   53                                       
CONECT   17   32    3   73   74                                       
CONECT   18   22   47   47    4                                       
CONECT   19    5   46   20   20                                       
CONECT   20   19   19   23   75                                       
CONECT   21    5    5   24   76                                       
CONECT   22   41   40   42   18                                       
CONECT   23   24   24   20   77                                       
CONECT   24   21   57   23   23                                       
CONECT   25   58   27   26   28                                       
CONECT   26   27   25   78   79                                       
CONECT   27   25   26   80   81                                       
CONECT   28   25   82   83   84                                       
CONECT   29    1   30   30   85                                       
CONECT   30   29   29   31   86                                       
CONECT   31   30   32   87   88                                       
CONECT   32   31   17   89   90                                       
CONECT   33   34   37   52   91                                       
CONECT   34   35   33   92   93                                       
CONECT   35   38   36   34   94                                       
CONECT   36   38   35   37   95                                       
CONECT   37   36   33   96   97                                       
CONECT   38   35   36   98   99                                       
CONECT   39   57  100  101  102                                       
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   11    6   10                                            
CONECT   44   12    8  103                                            
CONECT   45   16    2  104                                            
CONECT   46    4    4   19                                            
CONECT   47   18   18    5                                            
CONECT   48   13   58  105                                            
CONECT   49    4    9                                                 
CONECT   50    8    8                                                 
CONECT   51   11   11                                                 
CONECT   52   33   16                                                 
CONECT   53   16   16                                                 
CONECT   54   13   13                                                 
CONECT   55   58   58                                                 
CONECT   56   58   58                                                 
CONECT   57   24   39                                                 
CONECT   58   56   56   48   55                                       
CONECT   58   55   25                                                 
CONECT   59    1                                                      
CONECT   60    2                                                      
CONECT   61    3                                                      
CONECT   62    3                                                      
CONECT   63    6                                                      
CONECT   64    7                                                      
CONECT   65    7                                                      
CONECT   66    9                                                      
CONECT   67   10                                                      
CONECT   68   10                                                      
CONECT   69   14                                                      
CONECT   70   14                                                      
CONECT   71   15                                                      
CONECT   72   15                                                      
CONECT   73   17                                                      
CONECT   74   17                                                      
CONECT   75   20                                                      
CONECT   76   21                                                      
CONECT   77   23                                                      
CONECT   78   26                                                      
CONECT   79   26                                                      
CONECT   80   27                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   28                                                      
CONECT   84   28                                                      
CONECT   85   29                                                      
CONECT   86   30                                                      
CONECT   87   31                                                      
CONECT   88   31                                                      
CONECT   89   32                                                      
CONECT   90   32                                                      
CONECT   91   33                                                      
CONECT   92   34                                                      
CONECT   93   34                                                      
CONECT   94   35                                                      
CONECT   95   36                                                      
CONECT   96   37                                                      
CONECT   97   37                                                      
CONECT   98   38                                                      
CONECT   99   38                                                      
CONECT  100   39                                                      
CONECT  101   39                                                      
CONECT  102   39                                                      
CONECT  103   44                                                      
CONECT  104   45                                                      
CONECT  105   48                                                      
MASTER        0    0    0    0    0    0    0    0  105    0  105    0
END
