COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.573   1.237   2.986  1.00  0.00           C  
HETATM    2  O   UNL     1      -9.963   1.035   3.247  1.00  0.00           O  
HETATM    3  C   UNL     1     -10.736   0.632   2.203  1.00  0.00           C  
HETATM    4  C   UNL     1     -10.165   0.431   0.955  1.00  0.00           C  
HETATM    5  C   UNL     1     -12.096   0.417   2.386  1.00  0.00           C  
HETATM    6  O   UNL     1     -12.659   0.609   3.610  1.00  0.00           O  
HETATM    7  C   UNL     1     -13.160   1.916   3.897  1.00  0.00           C  
HETATM    8  C   UNL     1     -12.881   0.006   1.315  1.00  0.00           C  
HETATM    9  O   UNL     1     -14.213  -0.206   1.489  1.00  0.00           O  
HETATM   10  C   UNL     1     -14.958  -0.627   0.344  1.00  0.00           C  
HETATM   11  C   UNL     1     -12.304  -0.188   0.069  1.00  0.00           C  
HETATM   12  C   UNL     1     -10.948   0.017  -0.106  1.00  0.00           C  
HETATM   13  C   UNL     1     -10.325  -0.195  -1.462  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.761  -1.598  -1.553  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.616  -1.673  -0.493  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.505  -3.202  -0.388  1.00  0.00           C  
HETATM   17  O   UNL     1      -9.904  -3.642  -0.477  1.00  0.00           O  
HETATM   18  C   UNL     1     -10.660  -2.714  -1.110  1.00  0.00           C  
HETATM   19  O   UNL     1     -11.853  -2.775  -1.288  1.00  0.00           O  
HETATM   20  C   UNL     1      -9.181   0.784  -1.660  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.541   2.090  -1.993  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.528   3.012  -2.197  1.00  0.00           C  
HETATM   23  O   UNL     1      -8.589   4.323  -2.523  1.00  0.00           O  
HETATM   24  C   UNL     1      -7.283   4.858  -2.219  1.00  0.00           C  
HETATM   25  O   UNL     1      -6.405   3.718  -2.325  1.00  0.00           O  
HETATM   26  C   UNL     1      -7.181   2.639  -2.073  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.831   1.342  -1.738  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.858   0.420  -1.527  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.425  -0.980  -1.130  1.00  0.00           C  
HETATM   30  O   UNL     1      -6.333  -0.905  -0.176  1.00  0.00           O  
HETATM   31  C   UNL     1      -5.088  -0.886  -0.675  1.00  0.00           C  
HETATM   32  O   UNL     1      -4.916  -0.931  -1.870  1.00  0.00           O  
HETATM   33  C   UNL     1      -3.904  -0.809   0.254  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.612  -0.802  -0.565  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.428  -0.725   0.364  1.00  0.00           C  
HETATM   36  O   UNL     1      -1.601  -0.680   1.564  1.00  0.00           O  
HETATM   37  N   UNL     1      -0.177  -0.706  -0.138  1.00  0.00           N  
HETATM   38  C   UNL     1       0.973  -0.631   0.766  1.00  0.00           C  
HETATM   39  C   UNL     1       2.265  -0.624  -0.054  1.00  0.00           C  
HETATM   40  C   UNL     1       3.467  -0.546   0.890  1.00  0.00           C  
HETATM   41  C   UNL     1       4.759  -0.539   0.070  1.00  0.00           C  
HETATM   42  N   UNL     1       5.910  -0.464   0.974  1.00  0.00           N  
HETATM   43  C   UNL     1       7.161  -0.445   0.472  1.00  0.00           C  
HETATM   44  O   UNL     1       7.333  -0.490  -0.728  1.00  0.00           O  
HETATM   45  C   UNL     1       8.345  -0.368   1.401  1.00  0.00           C  
HETATM   46  C   UNL     1       9.617  -0.361   0.594  1.00  0.00           C  
HETATM   47  C   UNL     1      10.255   0.720   0.123  1.00  0.00           C  
HETATM   48  C   UNL     1       9.805   2.144   0.321  1.00  0.00           C  
HETATM   49  C   UNL     1      10.394  -1.536   0.182  1.00  0.00           C  
HETATM   50  C   UNL     1      10.242  -2.910   0.373  1.00  0.00           C  
HETATM   51  C   UNL     1      11.175  -3.779  -0.159  1.00  0.00           C  
HETATM   52  O   UNL     1      11.033  -5.119   0.023  1.00  0.00           O  
HETATM   53  C   UNL     1      12.033  -5.962  -0.553  1.00  0.00           C  
HETATM   54  C   UNL     1      12.260  -3.289  -0.880  1.00  0.00           C  
HETATM   55  C   UNL     1      12.418  -1.934  -1.074  1.00  0.00           C  
HETATM   56  C   UNL     1      11.490  -1.044  -0.546  1.00  0.00           C  
HETATM   57  N   UNL     1      11.380   0.336  -0.566  1.00  0.00           N  
HETATM   58  C   UNL     1      12.246   1.175  -1.167  1.00  0.00           C  
HETATM   59  O   UNL     1      12.028   1.566  -2.297  1.00  0.00           O  
HETATM   60  C   UNL     1      13.459   1.621  -0.453  1.00  0.00           C  
HETATM   61  C   UNL     1      14.304   2.571  -1.031  1.00  0.00           C  
HETATM   62  C   UNL     1      15.435   2.983  -0.359  1.00  0.00           C  
HETATM   63  C   UNL     1      15.733   2.457   0.888  1.00  0.00           C  
HETATM   64  C   UNL     1      14.899   1.515   1.467  1.00  0.00           C  
HETATM   65  C   UNL     1      13.762   1.099   0.807  1.00  0.00           C  
HETATM   66 CL   UNL     1      17.163   2.977   1.725  1.00  0.00          Cl  
HETATM   67  H   UNL     1      -8.074   1.556   3.902  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.130   0.305   2.637  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.455   2.005   2.222  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.108   0.599   0.812  1.00  0.00           H  
HETATM   71  H   UNL     1     -13.580   1.932   4.902  1.00  0.00           H  
HETATM   72  H   UNL     1     -12.346   2.639   3.832  1.00  0.00           H  
HETATM   73  H   UNL     1     -13.934   2.175   3.174  1.00  0.00           H  
HETATM   74  H   UNL     1     -14.557  -1.572  -0.023  1.00  0.00           H  
HETATM   75  H   UNL     1     -16.004  -0.760   0.620  1.00  0.00           H  
HETATM   76  H   UNL     1     -14.881   0.128  -0.438  1.00  0.00           H  
HETATM   77  H   UNL     1     -12.913  -0.507  -0.764  1.00  0.00           H  
HETATM   78  H   UNL     1     -11.075  -0.048  -2.239  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.369  -1.784  -2.553  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.899  -1.218   0.456  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.921  -3.604  -1.216  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.070  -3.492   0.568  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.578   2.374  -2.089  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.006   5.623  -2.944  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.262   5.263  -1.207  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.795   1.052  -1.643  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.106  -1.533  -2.013  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.965   0.105   0.845  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.908  -1.673   0.919  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.551  -1.716  -1.156  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.608   0.061  -1.231  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.039  -0.742  -1.097  1.00  0.00           H  
HETATM   93  H   UNL     1       0.913   0.283   1.356  1.00  0.00           H  
HETATM   94  H   UNL     1       0.970  -1.495   1.431  1.00  0.00           H  
HETATM   95  H   UNL     1       2.326  -1.538  -0.645  1.00  0.00           H  
HETATM   96  H   UNL     1       2.269   0.239  -0.719  1.00  0.00           H  
HETATM   97  H   UNL     1       3.407   0.368   1.480  1.00  0.00           H  
HETATM   98  H   UNL     1       3.464  -1.409   1.555  1.00  0.00           H  
HETATM   99  H   UNL     1       4.820  -1.453  -0.520  1.00  0.00           H  
HETATM  100  H   UNL     1       4.763   0.324  -0.595  1.00  0.00           H  
HETATM  101  H   UNL     1       5.772  -0.428   1.933  1.00  0.00           H  
HETATM  102  H   UNL     1       8.284   0.546   1.992  1.00  0.00           H  
HETATM  103  H   UNL     1       8.341  -1.231   2.067  1.00  0.00           H  
HETATM  104  H   UNL     1      10.247   2.541   1.235  1.00  0.00           H  
HETATM  105  H   UNL     1      10.125   2.748  -0.529  1.00  0.00           H  
HETATM  106  H   UNL     1       8.719   2.175   0.399  1.00  0.00           H  
HETATM  107  H   UNL     1       9.401  -3.292   0.932  1.00  0.00           H  
HETATM  108  H   UNL     1      12.056  -5.814  -1.632  1.00  0.00           H  
HETATM  109  H   UNL     1      13.007  -5.711  -0.131  1.00  0.00           H  
HETATM  110  H   UNL     1      11.801  -7.004  -0.334  1.00  0.00           H  
HETATM  111  H   UNL     1      12.984  -3.976  -1.292  1.00  0.00           H  
HETATM  112  H   UNL     1      13.263  -1.563  -1.635  1.00  0.00           H  
HETATM  113  H   UNL     1      14.072   2.981  -2.003  1.00  0.00           H  
HETATM  114  H   UNL     1      16.089   3.717  -0.805  1.00  0.00           H  
HETATM  115  H   UNL     1      15.137   1.109   2.438  1.00  0.00           H  
HETATM  116  H   UNL     1      13.113   0.364   1.259  1.00  0.00           H  
CONECT    1    2   67   68   69                                       
CONECT    2    3    1                                                 
CONECT    3    4    4    5    2                                       
CONECT    4   12    3    3   70                                       
CONECT    5    8    8    3    6                                       
CONECT    6    5    7                                                 
CONECT    7    6   71   72   73                                       
CONECT    8   11    9    5    5                                       
CONECT    9    8   10                                                 
CONECT   10    9   74   75   76                                       
CONECT   11   12   12    8   77                                       
CONECT   12   13   11   11    4                                       
CONECT   13   20   12   14   78                                       
CONECT   14   13   15   18   79                                       
CONECT   15   29   14   16   80                                       
CONECT   16   15   17   81   82                                       
CONECT   17   18   16                                                 
CONECT   18   14   19   19   17                                       
CONECT   19   18   18                                                 
CONECT   20   21   21   28   13                                       
CONECT   21   22   20   20   83                                       
CONECT   22   23   26   26   21                                       
CONECT   23   24   22                                                 
CONECT   24   23   25   84   85                                       
CONECT   25   24   26                                                 
CONECT   26   25   22   22   27                                       
CONECT   27   26   28   28   86                                       
CONECT   28   27   27   20   29                                       
CONECT   29   28   30   15   87                                       
CONECT   30   29   31                                                 
CONECT   31   33   30   32   32                                       
CONECT   32   31   31                                                 
CONECT   33   31   34   88   89                                       
CONECT   34   33   35   90   91                                       
CONECT   35   36   36   37   34                                       
CONECT   36   35   35                                                 
CONECT   37   38   35   92                                            
CONECT   38   37   39   93   94                                       
CONECT   39   40   38   95   96                                       
CONECT   40   41   39   97   98                                       
CONECT   41   42   40   99  100                                       
CONECT   42   41   43  101                                            
CONECT   43   44   44   42   45                                       
CONECT   44   43   43                                                 
CONECT   45   46   43  102  103                                       
CONECT   46   47   47   49   45                                       
CONECT   47   57   48   46   46                                       
CONECT   48   47  104  105  106                                       
CONECT   49   56   56   46   50                                       
CONECT   50   51   51   49  107                                       
CONECT   51   54   52   50   50                                       
CONECT   52   51   53                                                 
CONECT   53   52  108  109  110                                       
CONECT   54   55   55   51  111                                       
CONECT   55   54   54   56  112                                       
CONECT   56   55   57   49   49                                       
CONECT   57   58   56   47                                            
CONECT   58   60   59   59   57                                       
CONECT   59   58   58                                                 
CONECT   60   65   65   61   58                                       
CONECT   61   62   62   60  113                                       
CONECT   62   63   61   61  114                                       
CONECT   63   66   64   64   62                                       
CONECT   64   63   63   65  115                                       
CONECT   65   64   60   60  116                                       
CONECT   66   63                                                      
CONECT   67    1                                                      
CONECT   68    1                                                      
CONECT   69    1                                                      
CONECT   70    4                                                      
CONECT   71    7                                                      
CONECT   72    7                                                      
CONECT   73    7                                                      
CONECT   74   10                                                      
CONECT   75   10                                                      
CONECT   76   10                                                      
CONECT   77   11                                                      
CONECT   78   13                                                      
CONECT   79   14                                                      
CONECT   80   15                                                      
CONECT   81   16                                                      
CONECT   82   16                                                      
CONECT   83   21                                                      
CONECT   84   24                                                      
CONECT   85   24                                                      
CONECT   86   27                                                      
CONECT   87   29                                                      
CONECT   88   33                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   34                                                      
CONECT   92   37                                                      
CONECT   93   38                                                      
CONECT   94   38                                                      
CONECT   95   39                                                      
CONECT   96   39                                                      
CONECT   97   40                                                      
CONECT   98   40                                                      
CONECT   99   41                                                      
CONECT  100   41                                                      
CONECT  101   42                                                      
CONECT  102   45                                                      
CONECT  103   45                                                      
CONECT  104   48                                                      
CONECT  105   48                                                      
CONECT  106   48                                                      
CONECT  107   50                                                      
CONECT  108   53                                                      
CONECT  109   53                                                      
CONECT  110   53                                                      
CONECT  111   54                                                      
CONECT  112   55                                                      
CONECT  113   61                                                      
CONECT  114   62                                                      
CONECT  115   64                                                      
CONECT  116   65                                                      
MASTER        0    0    0    0    0    0    0    0  116    0  116    0
END
