COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.846   1.042   5.030  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.493   0.942   4.451  1.00  0.00           C  
HETATM    3  C   UNL     1       0.433   0.217   5.365  1.00  0.00           C  
HETATM    4  C   UNL     1       1.903   0.150   4.644  1.00  0.00           C  
HETATM    5  O   UNL     1       1.859  -0.975   3.735  1.00  0.00           O  
HETATM    6  C   UNL     1       1.721  -1.796   1.402  1.00  0.00           C  
HETATM    7  C   UNL     1       0.879  -1.359   0.269  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.479  -2.034   0.275  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.513  -1.073  -0.268  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.615  -0.827   0.757  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.126  -0.537   2.116  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.196  -0.180   3.093  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.861   1.053   3.872  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.477   2.054   3.523  1.00  0.00           O  
HETATM   15  C   UNL     1       1.867  -0.718   2.445  1.00  0.00           C  
HETATM   16  O   UNL     1       2.070   0.406   1.964  1.00  0.00           O  
HETATM   17  O   UNL     1       1.616  -1.714  -0.997  1.00  0.00           O  
HETATM   18  O   UNL     1      -2.026  -1.543  -1.520  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.030   2.394   5.750  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.404  -1.401   4.094  1.00  0.00           C  
HETATM   21  C   UNL     1       0.036  -1.169   5.611  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.030   2.297   4.260  1.00  0.00           O  
HETATM   23  O   UNL     1       0.548   0.872   6.583  1.00  0.00           O  
HETATM   24  C   UNL     1       2.886  -0.176   5.735  1.00  0.00           C  
HETATM   25  C   UNL     1       3.109  -2.340   0.917  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.467  -2.174   0.751  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.538   0.183   0.299  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.868  -0.476  -2.458  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.152  -0.993  -3.870  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.945   0.148  -4.871  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.797   1.345  -4.432  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.465   1.685  -2.977  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.776   0.575  -2.138  1.00  0.00           O  
HETATM   34  N   UNL     1      -2.360  -0.285  -6.212  1.00  0.00           N  
HETATM   35  C   UNL     1      -3.286   2.899  -2.540  1.00  0.00           C  
HETATM   36  O   UNL     1      -1.258  -2.065  -4.176  1.00  0.00           O  
HETATM   37  C   UNL     1      -3.824  -0.402  -6.183  1.00  0.00           C  
HETATM   38  C   UNL     1       2.311  -0.531  -1.419  1.00  0.00           C  
HETATM   39  C   UNL     1       3.297  -0.912  -2.523  1.00  0.00           C  
HETATM   40  C   UNL     1       4.061   0.323  -2.992  1.00  0.00           C  
HETATM   41  C   UNL     1       3.117   1.485  -3.269  1.00  0.00           C  
HETATM   42  C   UNL     1       1.980   1.620  -2.274  1.00  0.00           C  
HETATM   43  O   UNL     1       1.367   0.400  -1.920  1.00  0.00           O  
HETATM   44  O   UNL     1       4.743  -0.009  -4.218  1.00  0.00           O  
HETATM   45  O   UNL     1       2.572   1.339  -4.591  1.00  0.00           O  
HETATM   46  C   UNL     1       5.541   1.123  -4.568  1.00  0.00           C  
HETATM   47  C   UNL     1      -2.042   0.816  -7.130  1.00  0.00           C  
HETATM   48  C   UNL     1       2.411   2.410  -1.038  1.00  0.00           C  
HETATM   49  C   UNL     1       4.297  -0.241   5.147  1.00  0.00           C  
HETATM   50  C   UNL     1      -0.380  -3.239  -0.717  1.00  0.00           C  
HETATM   51  C   UNL     1       5.122   0.712  -1.959  1.00  0.00           C  
HETATM   52  H   UNL     1      -2.014   0.258   5.662  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.510   0.438   3.468  1.00  0.00           H  
HETATM   54  H   UNL     1       2.047   1.031   4.163  1.00  0.00           H  
HETATM   55  H   UNL     1       1.246  -2.631   1.913  1.00  0.00           H  
HETATM   56  H   UNL     1       0.798  -0.281   0.373  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.648  -2.343   1.261  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.029  -0.036  -0.439  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.486  -1.367   2.513  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.447   0.316   2.076  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.135  -0.053   2.564  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.053   2.473   6.118  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.336   2.456   6.589  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.830   3.207   5.053  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.184  -1.153   4.814  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.698  -2.287   3.531  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.472  -1.600   4.623  1.00  0.00           H  
HETATM   68  H   UNL     1       0.754  -1.639   6.284  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.954  -1.188   6.066  1.00  0.00           H  
HETATM   70  H   UNL     1       0.013  -1.714   4.667  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.655   2.724   3.658  1.00  0.00           H  
HETATM   72  H   UNL     1       1.159   0.352   7.123  1.00  0.00           H  
HETATM   73  H   UNL     1       2.631  -1.140   6.176  1.00  0.00           H  
HETATM   74  H   UNL     1       2.847   0.595   6.503  1.00  0.00           H  
HETATM   75  H   UNL     1       3.677  -2.701   1.775  1.00  0.00           H  
HETATM   76  H   UNL     1       2.953  -3.158   0.214  1.00  0.00           H  
HETATM   77  H   UNL     1       3.662  -1.539   0.426  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.287  -2.089   1.463  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.870  -2.345  -0.247  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.827  -3.011   1.032  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.268   0.203   0.934  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.846  -0.100  -2.409  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.181  -1.348  -3.929  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.894   0.434  -4.889  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.853   1.090  -4.515  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.576   2.202  -5.067  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.403   1.917  -2.892  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.047   3.147  -1.506  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.049   3.748  -3.181  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.348   2.668  -2.622  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.422  -2.760  -3.523  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.171  -0.849  -7.115  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.122  -1.031  -5.345  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.266   0.587  -6.069  1.00  0.00           H  
HETATM   95  H   UNL     1       2.847  -0.132  -0.561  1.00  0.00           H  
HETATM   96  H   UNL     1       4.000  -1.655  -2.139  1.00  0.00           H  
HETATM   97  H   UNL     1       2.750  -1.346  -3.363  1.00  0.00           H  
HETATM   98  H   UNL     1       3.704   2.419  -3.262  1.00  0.00           H  
HETATM   99  H   UNL     1       1.192   2.235  -2.771  1.00  0.00           H  
HETATM  100  H   UNL     1       1.980   2.091  -4.733  1.00  0.00           H  
HETATM  101  H   UNL     1       5.990   0.962  -5.548  1.00  0.00           H  
HETATM  102  H   UNL     1       4.914   2.013  -4.598  1.00  0.00           H  
HETATM  103  H   UNL     1       6.327   1.257  -3.825  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.321   0.535  -8.145  1.00  0.00           H  
HETATM  105  H   UNL     1      -2.597   1.706  -6.834  1.00  0.00           H  
HETATM  106  H   UNL     1      -0.973   1.024  -7.091  1.00  0.00           H  
HETATM  107  H   UNL     1       1.573   2.488  -0.346  1.00  0.00           H  
HETATM  108  H   UNL     1       3.239   1.896  -0.550  1.00  0.00           H  
HETATM  109  H   UNL     1       2.729   3.409  -1.338  1.00  0.00           H  
HETATM  110  H   UNL     1       5.009  -0.478   5.938  1.00  0.00           H  
HETATM  111  H   UNL     1       4.336  -1.013   4.379  1.00  0.00           H  
HETATM  112  H   UNL     1       4.552   0.722   4.706  1.00  0.00           H  
HETATM  113  H   UNL     1       0.396  -3.924  -0.380  1.00  0.00           H  
HETATM  114  H   UNL     1      -1.336  -3.761  -0.751  1.00  0.00           H  
HETATM  115  H   UNL     1      -0.133  -2.870  -1.712  1.00  0.00           H  
HETATM  116  H   UNL     1       5.902  -0.047  -1.935  1.00  0.00           H  
HETATM  117  H   UNL     1       5.559   1.673  -2.232  1.00  0.00           H  
HETATM  118  H   UNL     1       4.659   0.790  -0.975  1.00  0.00           H  
CONECT    1    2   13   19   52                                       
CONECT    2    1    3   22   53                                       
CONECT    3    2    4   21   23                                       
CONECT    4    3    5   24   54                                       
CONECT    5    4   15                                                 
CONECT    6    7   15   25   55                                       
CONECT    7    6    8   17   56                                       
CONECT    8    7    9   50   57                                       
CONECT    9    8   10   18   58                                       
CONECT   10    9   11   26   27                                       
CONECT   11   10   12   59   60                                       
CONECT   12   11   13   20   61                                       
CONECT   13    1   12   14   14                                       
CONECT   14   13   13                                                 
CONECT   15    5    6   16   16                                       
CONECT   16   15   15                                                 
CONECT   17    7   38                                                 
CONECT   18    9   28                                                 
CONECT   19    1   62   63   64                                       
CONECT   20   12   65   66   67                                       
CONECT   21    3   68   69   70                                       
CONECT   22    2   71                                                 
CONECT   23    3   72                                                 
CONECT   24    4   49   73   74                                       
CONECT   25    6   75   76   77                                       
CONECT   26   10   78   79   80                                       
CONECT   27   10   81                                                 
CONECT   28   18   29   33   82                                       
CONECT   29   28   30   36   83                                       
CONECT   30   29   31   34   84                                       
CONECT   31   30   32   85   86                                       
CONECT   32   31   33   35   87                                       
CONECT   33   28   32                                                 
CONECT   34   30   37   47                                            
CONECT   35   32   88   89   90                                       
CONECT   36   29   91                                                 
CONECT   37   34   92   93   94                                       
CONECT   38   17   39   43   95                                       
CONECT   39   38   40   96   97                                       
CONECT   40   39   41   44   51                                       
CONECT   41   40   42   45   98                                       
CONECT   42   41   43   48   99                                       
CONECT   43   38   42                                                 
CONECT   44   40   46                                                 
CONECT   45   41  100                                                 
CONECT   46   44  101  102  103                                       
CONECT   47   34  104  105  106                                       
CONECT   48   42  107  108  109                                       
CONECT   49   24  110  111  112                                       
CONECT   50    8  113  114  115                                       
CONECT   51   40  116  117  118                                       
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    4                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   24                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   25                                                      
CONECT   77   25                                                      
CONECT   78   26                                                      
CONECT   79   26                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   31                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   35                                                      
CONECT   89   35                                                      
CONECT   90   35                                                      
CONECT   91   36                                                      
CONECT   92   37                                                      
CONECT   93   37                                                      
CONECT   94   37                                                      
CONECT   95   38                                                      
CONECT   96   39                                                      
CONECT   97   39                                                      
CONECT   98   41                                                      
CONECT   99   42                                                      
CONECT  100   45                                                      
CONECT  101   46                                                      
CONECT  102   46                                                      
CONECT  103   46                                                      
CONECT  104   47                                                      
CONECT  105   47                                                      
CONECT  106   47                                                      
CONECT  107   48                                                      
CONECT  108   48                                                      
CONECT  109   48                                                      
CONECT  110   49                                                      
CONECT  111   49                                                      
CONECT  112   49                                                      
CONECT  113   50                                                      
CONECT  114   50                                                      
CONECT  115   50                                                      
CONECT  116   51                                                      
CONECT  117   51                                                      
CONECT  118   51                                                      
MASTER        0    0    0    0    0    0    0    0  118    0  118    0
END
