COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.860  -0.164   0.327  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.079  -0.348   1.232  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.352  -0.008   0.457  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.170  -1.805   1.686  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.566  -2.708   0.548  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.370  -4.073   0.710  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.721  -4.960  -0.292  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.523  -6.294  -0.124  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.277  -4.481  -1.470  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.467  -3.125  -1.632  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.108  -2.235  -0.629  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.311  -0.768  -0.874  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.553  -0.498  -1.710  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.730   1.015  -1.946  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.793   1.686  -0.590  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.429   1.467   0.121  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.901   1.047   0.248  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.954   3.202  -0.580  1.00  0.00           C  
HETATM   19  O   UNL     1      -8.337   3.553  -0.493  1.00  0.00           O  
HETATM   20  C   UNL     1      -6.197   3.686   0.682  1.00  0.00           C  
HETATM   21 CL   UNL     1      -4.923   4.875   0.222  1.00  0.00          Cl  
HETATM   22  C   UNL     1      -5.546   2.424   1.312  1.00  0.00           C  
HETATM   23  H   UNL     1      -2.900  -0.887  -0.488  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.860   0.846  -0.082  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.993   0.303   2.102  1.00  0.00           H  
HETATM   26  H   UNL     1      -6.228  -0.312   1.031  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.200  -2.120   2.070  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.911  -1.886   2.481  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.938  -4.446   1.627  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.273  -6.756   0.274  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.558  -5.166  -2.256  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.900  -2.752  -2.549  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.454  -0.403  -1.441  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.457  -1.002  -2.671  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.428  -0.885  -1.188  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.882   1.402  -2.511  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.654   1.198  -2.494  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.605   1.751  -0.534  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.871   1.289  -0.186  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.769  -0.035   0.261  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.853   1.431   1.268  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.511   3.635  -1.477  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.502   4.505  -0.483  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.895   4.139   1.386  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.190   2.002   2.084  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.562   2.659   1.716  1.00  0.00           H  
HETATM   47  C   UNL     1      -1.583  -0.385   1.141  1.00  0.00           C  
HETATM   48  C   UNL     1      -0.363  -0.201   0.236  1.00  0.00           C  
HETATM   49  C   UNL     1       0.914  -0.422   1.050  1.00  0.00           C  
HETATM   50  C   UNL     1       2.134  -0.238   0.145  1.00  0.00           C  
HETATM   51  C   UNL     1       3.410  -0.458   0.958  1.00  0.00           C  
HETATM   52  C   UNL     1       4.630  -0.274   0.053  1.00  0.00           C  
HETATM   53  C   UNL     1       5.907  -0.495   0.867  1.00  0.00           C  
HETATM   54  C   UNL     1       7.127  -0.311  -0.038  1.00  0.00           C  
HETATM   55  C   UNL     1       8.403  -0.531   0.776  1.00  0.00           C  
HETATM   56  C   UNL     1       9.605  -0.350  -0.116  1.00  0.00           C  
HETATM   57  N   UNL     1      10.846  -0.497   0.388  1.00  0.00           N  
HETATM   58  O   UNL     1       9.455  -0.072  -1.287  1.00  0.00           O  
HETATM   59  C   UNL     1      12.014  -0.321  -0.479  1.00  0.00           C  
HETATM   60  C   UNL     1      12.453   1.144  -0.451  1.00  0.00           C  
HETATM   61  C   UNL     1      13.673   1.328  -1.356  1.00  0.00           C  
HETATM   62  C   UNL     1      14.112   2.793  -1.329  1.00  0.00           C  
HETATM   63  C   UNL     1      11.028  -0.833   1.802  1.00  0.00           C  
HETATM   64  H   UNL     1      -1.542   0.337   1.957  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.583  -1.395   1.550  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.403  -0.923  -0.579  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.363   0.809  -0.173  1.00  0.00           H  
HETATM   68  H   UNL     1       0.954   0.301   1.865  1.00  0.00           H  
HETATM   69  H   UNL     1       0.914  -1.432   1.459  1.00  0.00           H  
HETATM   70  H   UNL     1       2.093  -0.960  -0.671  1.00  0.00           H  
HETATM   71  H   UNL     1       2.133   0.773  -0.265  1.00  0.00           H  
HETATM   72  H   UNL     1       3.451   0.264   1.774  1.00  0.00           H  
HETATM   73  H   UNL     1       3.410  -1.469   1.367  1.00  0.00           H  
HETATM   74  H   UNL     1       4.590  -0.997  -0.762  1.00  0.00           H  
HETATM   75  H   UNL     1       4.630   0.736  -0.356  1.00  0.00           H  
HETATM   76  H   UNL     1       5.947   0.228   1.682  1.00  0.00           H  
HETATM   77  H   UNL     1       5.907  -1.505   1.276  1.00  0.00           H  
HETATM   78  H   UNL     1       7.086  -1.033  -0.854  1.00  0.00           H  
HETATM   79  H   UNL     1       7.126   0.699  -0.447  1.00  0.00           H  
HETATM   80  H   UNL     1       8.444   0.191   1.591  1.00  0.00           H  
HETATM   81  H   UNL     1       8.403  -1.542   1.185  1.00  0.00           H  
HETATM   82  H   UNL     1      12.829  -0.951  -0.123  1.00  0.00           H  
HETATM   83  H   UNL     1      11.755  -0.604  -1.499  1.00  0.00           H  
HETATM   84  H   UNL     1      11.638   1.775  -0.807  1.00  0.00           H  
HETATM   85  H   UNL     1      12.712   1.427   0.569  1.00  0.00           H  
HETATM   86  H   UNL     1      14.488   0.698  -1.000  1.00  0.00           H  
HETATM   87  H   UNL     1      13.414   1.045  -2.377  1.00  0.00           H  
HETATM   88  H   UNL     1      14.981   2.924  -1.974  1.00  0.00           H  
HETATM   89  H   UNL     1      13.297   3.424  -1.685  1.00  0.00           H  
HETATM   90  H   UNL     1      14.371   3.076  -0.308  1.00  0.00           H  
HETATM   91  H   UNL     1      11.049  -1.917   1.919  1.00  0.00           H  
HETATM   92  H   UNL     1      11.967  -0.411   2.159  1.00  0.00           H  
HETATM   93  H   UNL     1      10.201  -0.422   2.382  1.00  0.00           H  
CONECT    1    2   23   24   47                                       
CONECT    2    4    3    1   25                                       
CONECT    3    2   12   16   26                                       
CONECT    4    5    2   27   28                                       
CONECT    5    6    4   11   11                                       
CONECT    6    7    7    5   29                                       
CONECT    7    8    6    6    9                                       
CONECT    8    7   30                                                 
CONECT    9    7   10   10   31                                       
CONECT   10    9    9   11   32                                       
CONECT   11    5    5   10   12                                       
CONECT   12   11    3   13   33                                       
CONECT   13   12   14   34   35                                       
CONECT   14   13   15   36   37                                       
CONECT   15   17   16   18   14                                       
CONECT   16    3   22   15   38                                       
CONECT   17   15   39   40   41                                       
CONECT   18   20   15   19   42                                       
CONECT   19   18   43                                                 
CONECT   20   22   18   21   44                                       
CONECT   21   20                                                      
CONECT   22   16   20   45   46                                       
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47    1   48   64   65                                       
CONECT   48   47   49   66   67                                       
CONECT   49   48   50   68   69                                       
CONECT   50   49   51   70   71                                       
CONECT   51   50   52   72   73                                       
CONECT   52   51   53   74   75                                       
CONECT   53   52   54   76   77                                       
CONECT   54   53   55   78   79                                       
CONECT   55   54   56   80   81                                       
CONECT   56   55   57   58   58                                       
CONECT   57   56   59   63                                            
CONECT   58   56   56                                                 
CONECT   59   57   60   82   83                                       
CONECT   60   59   61   84   85                                       
CONECT   61   60   62   86   87                                       
CONECT   62   61   88   89   90                                       
CONECT   63   57   91   92   93                                       
CONECT   64   47                                                      
CONECT   65   47                                                      
CONECT   66   48                                                      
CONECT   67   48                                                      
CONECT   68   49                                                      
CONECT   69   49                                                      
CONECT   70   50                                                      
CONECT   71   50                                                      
CONECT   72   51                                                      
CONECT   73   51                                                      
CONECT   74   52                                                      
CONECT   75   52                                                      
CONECT   76   53                                                      
CONECT   77   53                                                      
CONECT   78   54                                                      
CONECT   79   54                                                      
CONECT   80   55                                                      
CONECT   81   55                                                      
CONECT   82   59                                                      
CONECT   83   59                                                      
CONECT   84   60                                                      
CONECT   85   60                                                      
CONECT   86   61                                                      
CONECT   87   61                                                      
CONECT   88   62                                                      
CONECT   89   62                                                      
CONECT   90   62                                                      
CONECT   91   63                                                      
CONECT   92   63                                                      
CONECT   93   63                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
