COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.522  -2.546   0.778  1.00  0.00           C  
HETATM    2  C   UNL     1       4.874  -0.048  -0.259  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.747  -1.921   0.924  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.876  -2.499   0.350  1.00  0.00           C  
HETATM    5  C   UNL     1       3.209  -2.606  -0.395  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.101  -4.481  -0.009  1.00  0.00           C  
HETATM    7  C   UNL     1       0.974  -3.618  -0.612  1.00  0.00           C  
HETATM    8  C   UNL     1       0.786  -3.011  -1.974  1.00  0.00           C  
HETATM    9  C   UNL     1       2.084  -3.412   0.085  1.00  0.00           C  
HETATM   10  C   UNL     1       4.198  -2.321   0.456  1.00  0.00           C  
HETATM   11  C   UNL     1       5.365  -1.465   0.026  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.410  -3.759   0.126  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.770  -3.711  -0.317  1.00  0.00           C  
HETATM   14  C   UNL     1       5.704   2.213  -0.089  1.00  0.00           C  
HETATM   15  C   UNL     1       3.408   1.818   0.642  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.543  -4.341  -0.424  1.00  0.00           C  
HETATM   17  C   UNL     1       3.863   0.375   0.813  1.00  0.00           C  
HETATM   18  C   UNL     1       2.232   1.987  -0.289  1.00  0.00           C  
HETATM   19  C   UNL     1       1.108   2.834   0.284  1.00  0.00           C  
HETATM   20  C   UNL     1       1.652   0.682  -0.817  1.00  0.00           C  
HETATM   21  C   UNL     1       0.304   2.361   1.487  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.195   2.668   1.451  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.052   1.573   2.059  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.082   0.322   1.222  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.847  -0.527   2.726  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.701  -5.527  -1.538  1.00  0.00           C  
HETATM   27  C   UNL     1       6.991  -2.960  -0.903  1.00  0.00           C  
HETATM   28  C   UNL     1       0.725   1.119   2.274  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.636   3.733  -0.124  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.121   4.014  -1.523  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.292   4.998  -1.469  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.776   5.279  -2.868  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.036   5.091  -3.175  1.00  0.00           C  
HETATM   34  N   UNL     1       5.986   0.909  -0.247  1.00  0.00           N  
HETATM   35  N   UNL     1      -2.895  -0.713   1.637  1.00  0.00           N  
HETATM   36  O   UNL     1       5.951  -2.013  -1.155  1.00  0.00           O  
HETATM   37  O   UNL     1       4.492   2.677   0.201  1.00  0.00           O  
HETATM   38  O   UNL     1       6.610   3.006  -0.232  1.00  0.00           O  
HETATM   39  O   UNL     1       1.219   3.465   1.558  1.00  0.00           O  
HETATM   40  O   UNL     1      -1.609   2.892   0.075  1.00  0.00           O  
HETATM   41  O   UNL     1      -1.431   0.213   0.204  1.00  0.00           O  
HETATM   42  O   UNL     1      -4.878  -4.279  -0.865  1.00  0.00           O  
HETATM   43  O   UNL     1      -3.172   4.265   0.820  1.00  0.00           O  
HETATM   44  O   UNL     1       4.270  -0.019  -1.553  1.00  0.00           O  
HETATM   45 CL   UNL     1      -5.428  -1.729   0.455  1.00  0.00          Cl  
HETATM   46  H   UNL     1      -0.637  -2.083   1.196  1.00  0.00           H  
HETATM   47  H   UNL     1       3.251  -2.229  -1.401  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.243  -5.357  -0.644  1.00  0.00           H  
HETATM   49  H   UNL     1       0.224  -4.814   0.977  1.00  0.00           H  
HETATM   50  H   UNL     1       0.315  -2.033  -1.875  1.00  0.00           H  
HETATM   51  H   UNL     1       1.757  -2.898  -2.459  1.00  0.00           H  
HETATM   52  H   UNL     1       0.152  -3.660  -2.577  1.00  0.00           H  
HETATM   53  H   UNL     1       2.162  -3.873   1.070  1.00  0.00           H  
HETATM   54  H   UNL     1       4.169  -2.703   1.467  1.00  0.00           H  
HETATM   55  H   UNL     1       6.107  -1.436   0.823  1.00  0.00           H  
HETATM   56  H   UNL     1       3.126   2.191   1.643  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.465  -5.290  -0.934  1.00  0.00           H  
HETATM   58  H   UNL     1       3.050  -0.335   0.899  1.00  0.00           H  
HETATM   59  H   UNL     1       4.394   0.310   1.794  1.00  0.00           H  
HETATM   60  H   UNL     1       2.611   2.541  -1.179  1.00  0.00           H  
HETATM   61  H   UNL     1       0.548   3.390  -0.493  1.00  0.00           H  
HETATM   62  H   UNL     1       1.448   0.011   0.017  1.00  0.00           H  
HETATM   63  H   UNL     1       0.725   0.887  -1.353  1.00  0.00           H  
HETATM   64  H   UNL     1       2.367   0.213  -1.494  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.367   3.598   2.011  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.725   1.348   3.072  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.079   1.965   2.131  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.374  -0.792   3.672  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.164   0.515   2.758  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.715  -1.166   2.563  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.661  -5.869  -1.927  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.999  -5.400  -2.362  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.310  -6.265  -0.838  1.00  0.00           H  
HETATM   74  H   UNL     1       7.791  -2.479  -0.340  1.00  0.00           H  
HETATM   75  H   UNL     1       6.592  -3.794  -0.326  1.00  0.00           H  
HETATM   76  H   UNL     1       7.385  -3.329  -1.850  1.00  0.00           H  
HETATM   77  H   UNL     1       1.726   1.268   2.679  1.00  0.00           H  
HETATM   78  H   UNL     1       0.023   0.952   3.091  1.00  0.00           H  
HETATM   79  H   UNL     1       0.726   0.253   1.613  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.309   4.447  -2.108  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.449   3.084  -1.987  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.103   4.565  -0.883  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.964   5.928  -1.005  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.085   5.635  -3.618  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.727   4.734  -2.426  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.383   5.292  -4.178  1.00  0.00           H  
HETATM   87  H   UNL     1       6.893   0.608  -0.353  1.00  0.00           H  
HETATM   88  H   UNL     1       4.871  -0.256  -2.273  1.00  0.00           H  
CONECT    1   12    3    3   46                                       
CONECT    2   11   44   34   17                                       
CONECT    3    1    1    4   35                                       
CONECT    4   13   13    3   45                                       
CONECT    5   10   10    9   47                                       
CONECT    6    7   12   48   49                                       
CONECT    7    9    9    6    8                                       
CONECT    8    7   50   51   52                                       
CONECT    9    5    7    7   53                                       
CONECT   10   11    5    5   54                                       
CONECT   11   36   10    2   55                                       
CONECT   12    6   16   16    1                                       
CONECT   13   16   42    4    4                                       
CONECT   14   34   38   38   37                                       
CONECT   15   17   37   18   56                                       
CONECT   16   12   12   13   57                                       
CONECT   17    2   15   58   59                                       
CONECT   18   15   19   20   60                                       
CONECT   19   21   18   39   61                                       
CONECT   20   18   62   63   64                                       
CONECT   21   28   22   19   39                                       
CONECT   22   40   21   23   65                                       
CONECT   23   22   24   66   67                                       
CONECT   24   35   23   41   41                                       
CONECT   25   35   68   69   70                                       
CONECT   26   42   71   72   73                                       
CONECT   27   36   74   75   76                                       
CONECT   28   21   77   78   79                                       
CONECT   29   30   40   43   43                                       
CONECT   30   31   29   80   81                                       
CONECT   31   32   30   82   83                                       
CONECT   32   33   33   31   84                                       
CONECT   33   32   32   85   86                                       
CONECT   34    2   14   87                                            
CONECT   35    3   25   24                                            
CONECT   36   27   11                                                 
CONECT   37   14   15                                                 
CONECT   38   14   14                                                 
CONECT   39   21   19                                                 
CONECT   40   29   22                                                 
CONECT   41   24   24                                                 
CONECT   42   13   26                                                 
CONECT   43   29   29                                                 
CONECT   44    2   88                                                 
CONECT   45    4                                                      
CONECT   46    1                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   28                                                      
CONECT   80   30                                                      
CONECT   81   30                                                      
CONECT   82   31                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   33                                                      
CONECT   87   34                                                      
CONECT   88   44                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
