COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.653  -1.453   0.163  1.00  0.00           N  
HETATM    2  C   UNL     1       4.261   1.818   0.296  1.00  0.00           C  
HETATM    3  C   UNL     1       3.163   2.616   0.650  1.00  0.00           C  
HETATM    4  N   UNL     1       0.399  -1.242   0.681  1.00  0.00           N  
HETATM    5  C   UNL     1       1.931   2.064   0.836  1.00  0.00           C  
HETATM    6  O   UNL     1       1.299  -3.308   0.184  1.00  0.00           O  
HETATM    7  C   UNL     1       7.413   3.041  -1.337  1.00  0.00           C  
HETATM    8  C   UNL     1       6.169   2.454  -1.165  1.00  0.00           C  
HETATM    9  C   UNL     1       5.450   1.836  -2.336  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.617   0.814   1.202  1.00  0.00           N  
HETATM   11  C   UNL     1       5.592   2.443   0.101  1.00  0.00           C  
HETATM   12  C   UNL     1       7.409   3.554   1.004  1.00  0.00           C  
HETATM   13  C   UNL     1       8.041   3.598  -0.236  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.261   1.445   1.816  1.00  0.00           N  
HETATM   15  N   UNL     1       6.221   2.987   1.136  1.00  0.00           N  
HETATM   16  C   UNL     1       8.071   3.067  -2.692  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.994   1.084   3.158  1.00  0.00           O  
HETATM   18  C   UNL     1       1.753   0.685   0.671  1.00  0.00           C  
HETATM   19  C   UNL     1       2.852  -0.133   0.314  1.00  0.00           C  
HETATM   20  C   UNL     1       4.113   0.449   0.127  1.00  0.00           C  
HETATM   21  C   UNL     1       1.457  -1.972   0.345  1.00  0.00           C  
HETATM   22  C   UNL     1       0.490   0.068   0.853  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.623   0.795   0.131  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.750   1.774   0.477  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.294   1.310   2.916  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.185   0.350   2.475  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.087   0.313   3.540  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.580   1.271   2.030  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.517   1.307   0.902  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.843   1.243   1.125  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.784   1.280  -0.008  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.159   1.218   0.230  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.030   1.254  -0.846  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.500   1.350  -2.124  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.125   1.407  -2.288  1.00  0.00           C  
HETATM   36  C   UNL     1     -10.411   1.392  -3.324  1.00  0.00           C  
HETATM   37  C   UNL     1     -11.520   1.190  -0.633  1.00  0.00           C  
HETATM   38  C   UNL     1     -11.456  -1.112   0.115  1.00  0.00           C  
HETATM   39  C   UNL     1     -13.460  -0.230  -0.919  1.00  0.00           C  
HETATM   40  C   UNL     1       2.459  -4.060  -0.177  1.00  0.00           C  
HETATM   41  C   UNL     1       2.087  -5.537  -0.314  1.00  0.00           C  
HETATM   42  C   UNL     1       1.029  -5.740  -1.416  1.00  0.00           C  
HETATM   43  C   UNL     1       1.457  -7.077  -2.077  1.00  0.00           C  
HETATM   44  C   UNL     1       3.001  -6.987  -1.991  1.00  0.00           C  
HETATM   45  C   UNL     1       3.458  -7.375   0.365  1.00  0.00           C  
HETATM   46  C   UNL     1       2.754  -6.792   1.628  1.00  0.00           C  
HETATM   47  C   UNL     1       3.120  -6.869   2.883  1.00  0.00           C  
HETATM   48  C   UNL     1       1.540  -6.094   1.017  1.00  0.00           C  
HETATM   49  F   UNL     1       5.828   0.495  -2.460  1.00  0.00           F  
HETATM   50  F   UNL     1       4.069   1.913  -2.129  1.00  0.00           F  
HETATM   51  F   UNL     1       5.786   2.525  -3.507  1.00  0.00           F  
HETATM   52  F   UNL     1       5.173  -0.315  -0.215  1.00  0.00           F  
HETATM   53  N   UNL     1      -7.318   1.376  -1.250  1.00  0.00           N  
HETATM   54  N   UNL     1     -11.992  -0.178  -0.884  1.00  0.00           N  
HETATM   55  N   UNL     1       3.268  -6.350  -0.684  1.00  0.00           N  
HETATM   56  N   UNL     1       8.032   4.111   2.114  1.00  0.00           N  
HETATM   57 CL   UNL     1       3.376   4.327   0.856  1.00  0.00          Cl  
HETATM   58  H   UNL     1       1.094   2.689   1.109  1.00  0.00           H  
HETATM   59  H   UNL     1       9.011   4.062  -0.337  1.00  0.00           H  
HETATM   60  H   UNL     1       7.828   4.002  -3.197  1.00  0.00           H  
HETATM   61  H   UNL     1       9.152   2.989  -2.573  1.00  0.00           H  
HETATM   62  H   UNL     1       7.711   2.228  -3.287  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.159   1.091  -0.809  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.032  -0.211   0.034  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.553   1.681  -0.255  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.364   2.793   0.472  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.864   2.285   3.146  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.796   0.914   3.799  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.600  -0.650   2.345  1.00  0.00           H  
HETATM   70  H   UNL     1       0.271   1.325   3.728  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.490  -0.107   4.462  1.00  0.00           H  
HETATM   72  H   UNL     1       0.739  -0.306   3.189  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.143   1.386  -0.108  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.217   1.165   2.135  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.537   1.144   1.239  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.711   1.481  -3.283  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.665   2.427  -3.551  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.905   0.946  -4.180  1.00  0.00           H  
HETATM   79  H   UNL     1     -11.321   0.832  -3.108  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.753   1.472   0.394  1.00  0.00           H  
HETATM   81  H   UNL     1     -12.015   1.877  -1.319  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.782  -0.807   1.109  1.00  0.00           H  
HETATM   83  H   UNL     1     -11.821  -2.117  -0.095  1.00  0.00           H  
HETATM   84  H   UNL     1     -10.367  -1.105   0.071  1.00  0.00           H  
HETATM   85  H   UNL     1     -13.828   0.418  -1.715  1.00  0.00           H  
HETATM   86  H   UNL     1     -13.783  -1.254  -1.107  1.00  0.00           H  
HETATM   87  H   UNL     1     -13.859   0.107   0.038  1.00  0.00           H  
HETATM   88  H   UNL     1       2.848  -3.694  -1.128  1.00  0.00           H  
HETATM   89  H   UNL     1       3.220  -3.946   0.595  1.00  0.00           H  
HETATM   90  H   UNL     1       0.033  -5.827  -0.982  1.00  0.00           H  
HETATM   91  H   UNL     1       1.065  -4.925  -2.139  1.00  0.00           H  
HETATM   92  H   UNL     1       1.083  -7.930  -1.511  1.00  0.00           H  
HETATM   93  H   UNL     1       1.125  -7.123  -3.114  1.00  0.00           H  
HETATM   94  H   UNL     1       3.441  -7.984  -2.024  1.00  0.00           H  
HETATM   95  H   UNL     1       3.391  -6.373  -2.802  1.00  0.00           H  
HETATM   96  H   UNL     1       4.520  -7.538   0.546  1.00  0.00           H  
HETATM   97  H   UNL     1       2.975  -8.308   0.074  1.00  0.00           H  
HETATM   98  H   UNL     1       4.024  -7.396   3.151  1.00  0.00           H  
HETATM   99  H   UNL     1       2.517  -6.406   3.651  1.00  0.00           H  
HETATM  100  H   UNL     1       1.198  -5.284   1.661  1.00  0.00           H  
HETATM  101  H   UNL     1       0.737  -6.808   0.835  1.00  0.00           H  
HETATM  102  H   UNL     1       7.596   4.083   2.980  1.00  0.00           H  
HETATM  103  H   UNL     1       8.903   4.528   2.022  1.00  0.00           H  
CONECT    1   19   21   21                                            
CONECT    2   11    3    3   20                                       
CONECT    3   57    2    2    5                                       
CONECT    4   22   22   21                                            
CONECT    5    3   18   18   58                                       
CONECT    6   21   40                                                 
CONECT    7   16   13   13    8                                       
CONECT    8    7    9   11   11                                       
CONECT    9   51    8   49   50                                       
CONECT   10   26   22   23                                            
CONECT   11    8    8   15    2                                       
CONECT   12   13   56   15   15                                       
CONECT   13    7    7   12   59                                       
CONECT   14   25   28   24                                            
CONECT   15   12   12   11                                            
CONECT   16    7   60   61   62                                       
CONECT   17   28   28                                                 
CONECT   18    5    5   19   22                                       
CONECT   19   20   20   18    1                                       
CONECT   20    2   52   19   19                                       
CONECT   21    1    1    4    6                                       
CONECT   22   18   10    4    4                                       
CONECT   23   10   24   63   64                                       
CONECT   24   23   14   65   66                                       
CONECT   25   26   14   67   68                                       
CONECT   26   27   10   25   69                                       
CONECT   27   26   70   71   72                                       
CONECT   28   17   17   14   29                                       
CONECT   29   28   30   30   73                                       
CONECT   30   29   29   31   74                                       
CONECT   31   30   53   53   32                                       
CONECT   32   31   33   33   75                                       
CONECT   33   32   32   34   37                                       
CONECT   34   35   35   33   36                                       
CONECT   35   53   34   34   76                                       
CONECT   36   34   77   78   79                                       
CONECT   37   33   54   80   81                                       
CONECT   38   54   82   83   84                                       
CONECT   39   54   85   86   87                                       
CONECT   40    6   41   88   89                                       
CONECT   41   40   55   48   42                                       
CONECT   42   41   43   90   91                                       
CONECT   43   44   42   92   93                                       
CONECT   44   55   43   94   95                                       
CONECT   45   55   46   96   97                                       
CONECT   46   45   48   47   47                                       
CONECT   47   46   46   98   99                                       
CONECT   48   46   41  100  101                                       
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   20                                                      
CONECT   53   31   31   35                                            
CONECT   54   37   39   38                                            
CONECT   55   45   41   44                                            
CONECT   56   12  102  103                                            
CONECT   57    3                                                      
CONECT   58    5                                                      
CONECT   59   13                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   32                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   36                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   38                                                      
CONECT   84   38                                                      
CONECT   85   39                                                      
CONECT   86   39                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   40                                                      
CONECT   90   42                                                      
CONECT   91   42                                                      
CONECT   92   43                                                      
CONECT   93   43                                                      
CONECT   94   44                                                      
CONECT   95   44                                                      
CONECT   96   45                                                      
CONECT   97   45                                                      
CONECT   98   47                                                      
CONECT   99   47                                                      
CONECT  100   48                                                      
CONECT  101   48                                                      
CONECT  102   56                                                      
CONECT  103   56                                                      
MASTER        0    0    0    0    0    0    0    0  103    0  103    0
END
