COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.392  -1.581  -1.463  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.245  -0.291  -0.651  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.045  -0.338  -1.937  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.780   0.495  -2.237  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.028   0.683  -0.943  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.899   1.457   0.079  1.00  0.00           C  
HETATM    7  C   UNL     1       0.130   1.672   1.205  1.00  0.00           C  
HETATM    8  C   UNL     1       1.388   2.139   0.412  1.00  0.00           C  
HETATM    9  C   UNL     1       1.244   1.536  -1.008  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.273  -1.427   2.418  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.278   0.727  -1.179  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.814  -2.128  -1.343  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.625  -0.673   1.110  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.310   2.825  -0.475  1.00  0.00           C  
HETATM   15  C   UNL     1       2.450   0.651  -1.332  1.00  0.00           C  
HETATM   16  C   UNL     1       2.703  -0.311  -0.169  1.00  0.00           C  
HETATM   17  C   UNL     1       3.820  -1.286  -0.547  1.00  0.00           C  
HETATM   18  C   UNL     1       4.073  -2.247   0.615  1.00  0.00           C  
HETATM   19  C   UNL     1       5.190  -3.222   0.237  1.00  0.00           C  
HETATM   20  C   UNL     1       5.411  -4.253   1.363  1.00  0.00           C  
HETATM   21  C   UNL     1       6.928  -4.502   1.440  1.00  0.00           C  
HETATM   22  C   UNL     1       3.666   1.516  -1.542  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.187  -2.360   0.117  1.00  0.00           C  
HETATM   24  C   UNL     1       7.576  -3.613   0.359  1.00  0.00           C  
HETATM   25  C   UNL     1       2.148   4.198   1.331  1.00  0.00           C  
HETATM   26  C   UNL     1       2.264   5.700   1.339  1.00  0.00           C  
HETATM   27  C   UNL     1       6.545  -2.478   0.128  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.996  -1.088   0.946  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.546  -0.603   0.808  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.296   0.581   1.722  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.032   1.365   1.391  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.112   0.612   0.432  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.875   0.331  -0.859  1.00  0.00           C  
HETATM   34  O   UNL     1      -1.652  -1.657  -1.574  1.00  0.00           O  
HETATM   35  O   UNL     1       1.457   3.584   0.357  1.00  0.00           O  
HETATM   36  O   UNL     1       2.677   3.546   2.200  1.00  0.00           O  
HETATM   37  O   UNL     1       3.805   2.528  -0.898  1.00  0.00           O  
HETATM   38  O   UNL     1       4.594   1.161  -2.444  1.00  0.00           O  
HETATM   39  O   UNL     1      -5.383  -3.409   0.661  1.00  0.00           O  
HETATM   40  H   UNL     1      -4.171  -1.382  -2.511  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.697  -2.330  -1.077  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.633  -0.388  -2.860  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.157  -0.060  -2.949  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.058   1.444  -2.686  1.00  0.00           H  
HETATM   45  H   UNL     1       0.258  -0.296  -0.546  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.207   2.457   1.880  1.00  0.00           H  
HETATM   47  H   UNL     1       0.352   0.759   1.745  1.00  0.00           H  
HETATM   48  H   UNL     1       2.286   1.741   0.890  1.00  0.00           H  
HETATM   49  H   UNL     1       1.139   2.320  -1.753  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.578  -2.198   2.751  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.142  -0.532   3.027  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.295  -1.790   2.522  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.283   0.321  -1.061  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.193   1.656  -0.615  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.088   0.924  -2.234  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.529  -1.463  -1.817  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.856  -3.093  -1.870  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.223  -0.434   2.095  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.458  -1.367   1.216  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.845  -1.132   0.502  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.895   2.688  -1.385  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.910   3.352   0.266  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.417   3.408  -0.702  1.00  0.00           H  
HETATM   64  H   UNL     1       2.249   0.080  -2.238  1.00  0.00           H  
HETATM   65  H   UNL     1       2.999   0.256   0.714  1.00  0.00           H  
HETATM   66  H   UNL     1       1.791  -0.869   0.046  1.00  0.00           H  
HETATM   67  H   UNL     1       3.524  -1.853  -1.430  1.00  0.00           H  
HETATM   68  H   UNL     1       4.731  -0.728  -0.762  1.00  0.00           H  
HETATM   69  H   UNL     1       4.369  -1.681   1.498  1.00  0.00           H  
HETATM   70  H   UNL     1       3.162  -2.806   0.831  1.00  0.00           H  
HETATM   71  H   UNL     1       4.955  -3.725  -0.701  1.00  0.00           H  
HETATM   72  H   UNL     1       5.050  -3.855   2.311  1.00  0.00           H  
HETATM   73  H   UNL     1       4.892  -5.182   1.126  1.00  0.00           H  
HETATM   74  H   UNL     1       7.302  -4.224   2.425  1.00  0.00           H  
HETATM   75  H   UNL     1       7.145  -5.551   1.241  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.239  -2.662   0.173  1.00  0.00           H  
HETATM   77  H   UNL     1       8.521  -3.204   0.716  1.00  0.00           H  
HETATM   78  H   UNL     1       7.728  -4.179  -0.560  1.00  0.00           H  
HETATM   79  H   UNL     1       3.147   6.000   0.775  1.00  0.00           H  
HETATM   80  H   UNL     1       1.375   6.136   0.883  1.00  0.00           H  
HETATM   81  H   UNL     1       2.354   6.051   2.367  1.00  0.00           H  
HETATM   82  H   UNL     1       6.669  -2.038  -0.861  1.00  0.00           H  
HETATM   83  H   UNL     1       6.628  -1.717   0.904  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.697  -0.324   0.632  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.929  -1.456   1.128  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.155   1.265   1.681  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.216   0.233   2.763  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.329   2.325   0.961  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.484   1.566   2.320  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.124   1.339  -1.293  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.121  -2.107  -2.245  1.00  0.00           H  
HETATM   92  H   UNL     1       5.356   1.747  -2.544  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.481  -4.257   0.206  1.00  0.00           H  
CONECT    1   12    2   40   41                                       
CONECT    2    1   33   11   29                                       
CONECT    3   34    4   33   42                                       
CONECT    4    3    5   43   44                                       
CONECT    5    4    9    6   45                                       
CONECT    6    5   32   14    7                                       
CONECT    7    8    6   46   47                                       
CONECT    8    9   35    7   48                                       
CONECT    9   15   15    5    8                                       
CONECT    9   49                                                      
CONECT   10   28   50   51   52                                       
CONECT   11    2   53   54   55                                       
CONECT   12    1   23   56   57                                       
CONECT   13   32   58   59   60                                       
CONECT   14    6   61   62   63                                       
CONECT   15   16   22    9    9                                       
CONECT   15   64                                                      
CONECT   16   17   15   65   66                                       
CONECT   17   18   16   67   68                                       
CONECT   18   19   19   17   69                                       
CONECT   18   70                                                      
CONECT   19   27   20   18   18                                       
CONECT   19   71                                                      
CONECT   20   21   19   72   73                                       
CONECT   21   24   20   74   75                                       
CONECT   22   15   37   37   38                                       
CONECT   23   12   39   28   76                                       
CONECT   24   21   27   77   78                                       
CONECT   25   35   26   36   36                                       
CONECT   26   25   79   80   81                                       
CONECT   27   24   19   82   83                                       
CONECT   28   23   29   10   84                                       
CONECT   29    2   28   30   85                                       
CONECT   30   29   31   86   87                                       
CONECT   31   32   30   88   89                                       
CONECT   32   33   13    6   31                                       
CONECT   33    3    2   32   90                                       
CONECT   34    3   91                                                 
CONECT   35    8   25                                                 
CONECT   36   25   25                                                 
CONECT   37   22   22                                                 
CONECT   38   22   92                                                 
CONECT   39   23   93                                                 
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   18                                                      
CONECT   71   19                                                      
CONECT   72   20                                                      
CONECT   73   20                                                      
CONECT   74   21                                                      
CONECT   75   21                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   24                                                      
CONECT   79   26                                                      
CONECT   80   26                                                      
CONECT   81   26                                                      
CONECT   82   27                                                      
CONECT   83   27                                                      
CONECT   84   28                                                      
CONECT   85   29                                                      
CONECT   86   30                                                      
CONECT   87   30                                                      
CONECT   88   31                                                      
CONECT   89   31                                                      
CONECT   90   33                                                      
CONECT   91   34                                                      
CONECT   92   38                                                      
CONECT   93   39                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
