COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.124  -2.374  -1.893  1.00  0.00           C  
HETATM    2  C   UNL     1       1.109  -0.207  -1.648  1.00  0.00           C  
HETATM    3  C   UNL     1       1.148   1.300  -1.347  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.032   1.526  -0.378  1.00  0.00           C  
HETATM    5  C   UNL     1       4.818   2.882   0.700  1.00  0.00           C  
HETATM    6  C   UNL     1       5.995   2.279   1.470  1.00  0.00           C  
HETATM    7  C   UNL     1       6.725   3.184   2.465  1.00  0.00           C  
HETATM    8  C   UNL     1       7.395   2.802   1.143  1.00  0.00           C  
HETATM    9  C   UNL     1       5.575  -0.167  -0.602  1.00  0.00           C  
HETATM   10  C   UNL     1       4.877  -0.873  -1.737  1.00  0.00           C  
HETATM   11  C   UNL     1       5.744  -1.389  -2.887  1.00  0.00           C  
HETATM   12  C   UNL     1       6.061  -3.045  -0.887  1.00  0.00           C  
HETATM   13  C   UNL     1       2.468  -0.803  -1.380  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.309   0.134   0.226  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.347  -2.099  -0.903  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.285  -2.671   0.128  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.694  -2.762   0.307  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.056  -2.806   0.684  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.622  -4.185   1.033  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.084  -4.217   0.581  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.357  -2.940  -0.214  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.150  -2.013  -0.032  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.196   0.378   0.147  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.707   0.553   0.190  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.125   1.734   0.207  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.622   1.746   0.249  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.031   3.078  -0.103  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.097   5.372  -0.108  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.739   6.585   0.192  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.138   7.764  -0.119  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.889   7.800  -0.736  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.236   6.646  -1.054  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.835   5.410  -0.751  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.791   3.110  -0.767  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.712  -3.992   0.649  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.582  -4.507   1.798  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.697  -5.022  -0.482  1.00  0.00           C  
HETATM   38  C   UNL     1       0.715  -3.766   1.151  1.00  0.00           C  
HETATM   39  F   UNL     1       5.547  -2.888   0.405  1.00  0.00           F  
HETATM   40  F   UNL     1       6.167  -4.408  -1.184  1.00  0.00           F  
HETATM   41  F   UNL     1      -3.208   1.393   1.539  1.00  0.00           F  
HETATM   42  F   UNL     1      -3.154   0.783  -0.652  1.00  0.00           F  
HETATM   43  N   UNL     1       5.011  -0.138   0.622  1.00  0.00           N  
HETATM   44  N   UNL     1       3.542  -0.369  -2.069  1.00  0.00           N  
HETATM   45  N   UNL     1       0.112  -0.838  -0.784  1.00  0.00           N  
HETATM   46  N   UNL     1      -2.601  -2.916  -0.493  1.00  0.00           N  
HETATM   47  N   UNL     1      -3.652   4.194   0.201  1.00  0.00           N  
HETATM   48  N   UNL     1      -1.225   4.263  -1.068  1.00  0.00           N  
HETATM   49  O   UNL     1       7.103  -0.116   1.864  1.00  0.00           O  
HETATM   50  O   UNL     1       4.958   0.357   3.004  1.00  0.00           O  
HETATM   51  O   UNL     1       6.643   0.375  -0.791  1.00  0.00           O  
HETATM   52  O   UNL     1       2.594  -1.673  -0.545  1.00  0.00           O  
HETATM   53  O   UNL     1      -0.006  -2.788  -1.843  1.00  0.00           O  
HETATM   54  O   UNL     1      -3.564  -2.449   1.473  1.00  0.00           O  
HETATM   55  O   UNL     1      -4.920  -2.958  -0.208  1.00  0.00           O  
HETATM   56  O   UNL     1      -7.543  -0.878   0.743  1.00  0.00           O  
HETATM   57  O   UNL     1      -1.173   1.962  -1.110  1.00  0.00           O  
HETATM   58  S   UNL     1       5.834   0.524   1.897  1.00  0.00           S  
HETATM   59  H   UNL     1       4.294  -2.987  -2.244  1.00  0.00           H  
HETATM   60  H   UNL     1       0.841  -0.360  -2.693  1.00  0.00           H  
HETATM   61  H   UNL     1       2.089   1.569  -0.867  1.00  0.00           H  
HETATM   62  H   UNL     1       1.006   1.876  -2.260  1.00  0.00           H  
HETATM   63  H   UNL     1       0.235   2.233   0.400  1.00  0.00           H  
HETATM   64  H   UNL     1       4.053   3.211   1.403  1.00  0.00           H  
HETATM   65  H   UNL     1       5.165   3.734   0.115  1.00  0.00           H  
HETATM   66  H   UNL     1       4.398   2.129   0.032  1.00  0.00           H  
HETATM   67  H   UNL     1       6.367   4.208   2.570  1.00  0.00           H  
HETATM   68  H   UNL     1       7.109   2.724   3.375  1.00  0.00           H  
HETATM   69  H   UNL     1       8.220   2.090   1.184  1.00  0.00           H  
HETATM   70  H   UNL     1       7.478   3.574   0.379  1.00  0.00           H  
HETATM   71  H   UNL     1       6.818  -1.219  -2.823  1.00  0.00           H  
HETATM   72  H   UNL     1       5.321  -1.354  -3.891  1.00  0.00           H  
HETATM   73  H   UNL     1       7.047  -2.583  -0.944  1.00  0.00           H  
HETATM   74  H   UNL     1       0.276   0.002   1.133  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.369   0.022   0.433  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.390  -1.971   0.955  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.760  -2.280   1.587  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.057  -4.957   0.512  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.564  -4.346   2.109  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.256  -5.089  -0.051  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.739  -4.256   1.451  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.483  -3.179  -1.269  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.255  -2.453   0.166  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.791  -1.689  -1.010  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.676   1.186   0.698  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.537   0.392  -0.888  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.074  -0.327   0.206  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.699   2.640   0.194  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.708   6.580   0.670  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.638   8.692   0.117  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.434   8.752  -0.967  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.268   6.680  -1.532  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.174  -5.448   2.168  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.592  -3.773   2.603  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.598  -4.668   1.439  1.00  0.00           H  
HETATM   96  H   UNL     1       0.057  -4.744  -1.218  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.462  -6.005  -0.074  1.00  0.00           H  
HETATM   98  H   UNL     1      -1.677  -5.052  -0.959  1.00  0.00           H  
HETATM   99  H   UNL     1       1.335  -3.399   0.333  1.00  0.00           H  
HETATM  100  H   UNL     1       0.705  -3.032   1.957  1.00  0.00           H  
HETATM  101  H   UNL     1       1.123  -4.707   1.522  1.00  0.00           H  
HETATM  102  H   UNL     1       4.123  -0.504   0.755  1.00  0.00           H  
HETATM  103  H   UNL     1       3.431   0.277  -2.784  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.686  -3.178  -1.424  1.00  0.00           H  
CONECT    1   12   10   11   59                                       
CONECT    2   45   13    3   60                                       
CONECT    3    4    2   61   62                                       
CONECT    4   14    3   57   63                                       
CONECT    5    6   64   65   66                                       
CONECT    6    5   58    7    8                                       
CONECT    7    6    8   67   68                                       
CONECT    8    6    7   69   70                                       
CONECT    9   51   51   43   10                                       
CONECT   10    1    9   44   11                                       
CONECT   11    1   10   71   72                                       
CONECT   12   39   40    1   73                                       
CONECT   13   52   52    2   44                                       
CONECT   14   45    4   74   75                                       
CONECT   15   16   45   53   53                                       
CONECT   16   35   46   15   76                                       
CONECT   17   46   54   54   55                                       
CONECT   18   55   19   22   77                                       
CONECT   19   18   20   78   79                                       
CONECT   20   19   21   80   81                                       
CONECT   21   22   20   82   83                                       
CONECT   22   18   56   21   84                                       
CONECT   23   56   24   85   86                                       
CONECT   24   23   25   25   87                                       
CONECT   25   24   24   26   88                                       
CONECT   26   25   27   41   42                                       
CONECT   27   34   26   47   47                                       
CONECT   28   33   47   29   29                                       
CONECT   29   28   28   30   89                                       
CONECT   30   31   31   29   90                                       
CONECT   31   32   30   30   91                                       
CONECT   32   33   33   31   92                                       
CONECT   33   48   32   32   28                                       
CONECT   34   57   48   48   27                                       
CONECT   35   38   36   37   16                                       
CONECT   36   35   93   94   95                                       
CONECT   37   35   96   97   98                                       
CONECT   38   35   99  100  101                                       
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   26                                                      
CONECT   42   26                                                      
CONECT   43   58    9  102                                            
CONECT   44   13   10  103                                            
CONECT   45   14   15    2                                            
CONECT   46   16   17  104                                            
CONECT   47   27   27   28                                            
CONECT   48   34   34   33                                            
CONECT   49   58   58                                                 
CONECT   50   58   58                                                 
CONECT   51    9    9                                                 
CONECT   52   13   13                                                 
CONECT   53   15   15                                                 
CONECT   54   17   17                                                 
CONECT   55   17   18                                                 
CONECT   56   22   23                                                 
CONECT   57    4   34                                                 
CONECT   58   50   50    6   43                                       
CONECT   58   49   49                                                 
CONECT   59    1                                                      
CONECT   60    2                                                      
CONECT   61    3                                                      
CONECT   62    3                                                      
CONECT   63    4                                                      
CONECT   64    5                                                      
CONECT   65    5                                                      
CONECT   66    5                                                      
CONECT   67    7                                                      
CONECT   68    7                                                      
CONECT   69    8                                                      
CONECT   70    8                                                      
CONECT   71   11                                                      
CONECT   72   11                                                      
CONECT   73   12                                                      
CONECT   74   14                                                      
CONECT   75   14                                                      
CONECT   76   16                                                      
CONECT   77   18                                                      
CONECT   78   19                                                      
CONECT   79   19                                                      
CONECT   80   20                                                      
CONECT   81   20                                                      
CONECT   82   21                                                      
CONECT   83   21                                                      
CONECT   84   22                                                      
CONECT   85   23                                                      
CONECT   86   23                                                      
CONECT   87   24                                                      
CONECT   88   25                                                      
CONECT   89   29                                                      
CONECT   90   30                                                      
CONECT   91   31                                                      
CONECT   92   32                                                      
CONECT   93   36                                                      
CONECT   94   36                                                      
CONECT   95   36                                                      
CONECT   96   37                                                      
CONECT   97   37                                                      
CONECT   98   37                                                      
CONECT   99   38                                                      
CONECT  100   38                                                      
CONECT  101   38                                                      
CONECT  102   43                                                      
CONECT  103   44                                                      
CONECT  104   46                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
