COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.411   3.108  -2.741  1.00  0.00           C  
HETATM    2  C   UNL     1       7.569   1.646  -3.164  1.00  0.00           C  
HETATM    3  C   UNL     1       8.766   1.515  -4.107  1.00  0.00           C  
HETATM    4  C   UNL     1       7.794   0.792  -1.943  1.00  0.00           C  
HETATM    5  C   UNL     1       7.377  -0.832  -0.479  1.00  0.00           C  
HETATM    6  C   UNL     1       6.581  -1.988   0.067  1.00  0.00           C  
HETATM    7  C   UNL     1       5.716  -1.272   2.342  1.00  0.00           C  
HETATM    8  C   UNL     1       4.294  -1.202   0.365  1.00  0.00           C  
HETATM    9  C   UNL     1       1.990  -0.431   0.548  1.00  0.00           C  
HETATM   10  C   UNL     1       1.148  -1.708   0.490  1.00  0.00           C  
HETATM   11  C   UNL     1       1.804  -2.708  -0.465  1.00  0.00           C  
HETATM   12  C   UNL     1       1.458  -4.820  -1.598  1.00  0.00           C  
HETATM   13  C   UNL     1       0.554  -6.054  -1.659  1.00  0.00           C  
HETATM   14  C   UNL     1       0.112  -5.870   0.688  1.00  0.00           C  
HETATM   15  C   UNL     1       1.012  -4.634   0.772  1.00  0.00           C  
HETATM   16  C   UNL     1       1.282   0.598   1.391  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.631   2.033   1.857  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.143   1.906   1.656  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.617   0.552   2.188  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.128   0.426   1.986  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.622  -0.872   2.629  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.124  -0.937   2.539  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.726  -1.524   1.441  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.104  -1.584   1.358  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.882  -1.057   2.372  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.280  -0.470   3.470  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.902  -0.416   3.556  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.641   0.800   0.113  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.242   1.221  -1.606  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.368   1.132  -3.105  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.797   0.072  -3.796  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.429   1.389  -5.552  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.177   3.433   1.441  1.00  0.00           C  
HETATM   34  C   UNL     1       1.288   3.599   1.753  1.00  0.00           C  
HETATM   35  C   UNL     1       1.681   4.085   2.987  1.00  0.00           C  
HETATM   36  C   UNL     1       3.024   4.238   3.274  1.00  0.00           C  
HETATM   37  C   UNL     1       3.975   3.904   2.328  1.00  0.00           C  
HETATM   38  C   UNL     1       3.583   3.418   1.095  1.00  0.00           C  
HETATM   39  C   UNL     1       2.239   3.261   0.809  1.00  0.00           C  
HETATM   40  C   UNL     1       8.488  -0.377   0.108  1.00  0.00           C  
HETATM   41  N   UNL     1       7.032  -0.182  -1.572  1.00  0.00           N  
HETATM   42  N   UNL     1       5.495  -1.479   0.909  1.00  0.00           N  
HETATM   43  N   UNL     1       3.296  -0.733   1.140  1.00  0.00           N  
HETATM   44  N   UNL     1       0.997  -3.934  -0.520  1.00  0.00           N  
HETATM   45  N   UNL     1       0.056   1.032   1.038  1.00  0.00           N  
HETATM   46  N   UNL     1      -4.429   0.406   0.553  1.00  0.00           N  
HETATM   47  N   UNL     1      -7.817   0.243  -5.103  1.00  0.00           N  
HETATM   48  O   UNL     1       4.111  -1.373  -0.825  1.00  0.00           O  
HETATM   49  O   UNL     1       0.557  -6.704  -0.385  1.00  0.00           O  
HETATM   50  O   UNL     1       1.816   1.037   2.388  1.00  0.00           O  
HETATM   51  O   UNL     1      -6.483   1.173   0.906  1.00  0.00           O  
HETATM   52  O   UNL     1      -5.918   0.782  -1.204  1.00  0.00           O  
HETATM   53  S   UNL     1      -6.983   2.410  -4.255  1.00  0.00           S  
HETATM   54  S   UNL     1       9.099   0.967  -0.853  1.00  0.00           S  
HETATM   55  H   UNL     1       8.314   3.438  -2.228  1.00  0.00           H  
HETATM   56  H   UNL     1       7.248   3.727  -3.624  1.00  0.00           H  
HETATM   57  H   UNL     1       6.557   3.202  -2.069  1.00  0.00           H  
HETATM   58  H   UNL     1       6.665   1.317  -3.676  1.00  0.00           H  
HETATM   59  H   UNL     1       9.670   1.844  -3.594  1.00  0.00           H  
HETATM   60  H   UNL     1       8.879   0.473  -4.408  1.00  0.00           H  
HETATM   61  H   UNL     1       8.604   2.133  -4.989  1.00  0.00           H  
HETATM   62  H   UNL     1       6.161  -2.563  -0.759  1.00  0.00           H  
HETATM   63  H   UNL     1       7.232  -2.629   0.661  1.00  0.00           H  
HETATM   64  H   UNL     1       5.464  -2.184   2.884  1.00  0.00           H  
HETATM   65  H   UNL     1       6.763  -1.024   2.517  1.00  0.00           H  
HETATM   66  H   UNL     1       5.085  -0.455   2.693  1.00  0.00           H  
HETATM   67  H   UNL     1       2.129  -0.042  -0.460  1.00  0.00           H  
HETATM   68  H   UNL     1       1.084  -2.146   1.486  1.00  0.00           H  
HETATM   69  H   UNL     1       0.147  -1.468   0.133  1.00  0.00           H  
HETATM   70  H   UNL     1       1.869  -2.270  -1.461  1.00  0.00           H  
HETATM   71  H   UNL     1       2.805  -2.948  -0.108  1.00  0.00           H  
HETATM   72  H   UNL     1       2.484  -5.130  -1.400  1.00  0.00           H  
HETATM   73  H   UNL     1       1.415  -4.290  -2.549  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.461  -5.749  -1.910  1.00  0.00           H  
HETATM   75  H   UNL     1       0.927  -6.741  -2.419  1.00  0.00           H  
HETATM   76  H   UNL     1       0.165  -6.423   1.625  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.917  -5.559   0.506  1.00  0.00           H  
HETATM   78  H   UNL     1       0.642  -3.967   1.551  1.00  0.00           H  
HETATM   79  H   UNL     1       2.030  -4.940   1.009  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.390   1.870   2.908  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.649   2.706   2.195  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.375   1.980   0.593  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.110  -0.248   1.648  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.385   0.478   3.250  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.629   1.275   2.451  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.188  -1.724   2.106  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.319  -0.896   3.676  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.118  -1.936   0.648  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.574  -2.042   0.500  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.958  -1.100   2.305  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.887  -0.058   4.262  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.432   0.043   4.413  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.395   2.252  -1.289  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.993   0.582  -1.140  1.00  0.00           H  
HETATM   95  H   UNL     1      -8.102  -0.850  -3.323  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.394   1.664  -6.596  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.337   3.563   0.370  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.752   4.180   1.987  1.00  0.00           H  
HETATM   99  H   UNL     1       0.938   4.345   3.726  1.00  0.00           H  
HETATM  100  H   UNL     1       3.331   4.618   4.237  1.00  0.00           H  
HETATM  101  H   UNL     1       5.025   4.024   2.552  1.00  0.00           H  
HETATM  102  H   UNL     1       4.326   3.158   0.355  1.00  0.00           H  
HETATM  103  H   UNL     1       1.933   2.878  -0.153  1.00  0.00           H  
HETATM  104  H   UNL     1       8.937  -0.770   1.009  1.00  0.00           H  
HETATM  105  H   UNL     1       3.441  -0.596   2.089  1.00  0.00           H  
HETATM  106  H   UNL     1      -0.371   0.681   0.241  1.00  0.00           H  
HETATM  107  H   UNL     1      -3.757   0.108  -0.080  1.00  0.00           H  
CONECT    1    2   55   56   57                                       
CONECT    2    1    4    3   58                                       
CONECT    3    2   59   60   61                                       
CONECT    4   41   41   54    2                                       
CONECT    5    6   41   40   40                                       
CONECT    6   42    5   62   63                                       
CONECT    7   42   64   65   66                                       
CONECT    8   48   48   43   42                                       
CONECT    9   16   10   43   67                                       
CONECT   10   11    9   68   69                                       
CONECT   11   44   10   70   71                                       
CONECT   12   13   44   72   73                                       
CONECT   13   12   49   74   75                                       
CONECT   14   15   49   76   77                                       
CONECT   15   44   14   78   79                                       
CONECT   16   45    9   50   50                                       
CONECT   17   18   33   45   80                                       
CONECT   18   19   17   81   82                                       
CONECT   19   18   20   83   84                                       
CONECT   20   19   21   46   85                                       
CONECT   21   22   20   86   87                                       
CONECT   22   27   27   23   21                                       
CONECT   23   24   24   22   88                                       
CONECT   24   25   23   23   89                                       
CONECT   25   26   26   24   90                                       
CONECT   26   25   25   27   91                                       
CONECT   27   26   22   22   92                                       
CONECT   28   51   51   52   46                                       
CONECT   29   52   30   93   94                                       
CONECT   30   29   31   31   53                                       
CONECT   31   30   30   47   95                                       
CONECT   32   53   47   47   96                                       
CONECT   33   17   34   97   98                                       
CONECT   34   33   35   35   39                                       
CONECT   35   34   34   36   99                                       
CONECT   36   35   37   37  100                                       
CONECT   37   36   36   38  101                                       
CONECT   38   39   39   37  102                                       
CONECT   39   34   38   38  103                                       
CONECT   40    5    5   54  104                                       
CONECT   41    5    4    4                                            
CONECT   42    8    6    7                                            
CONECT   43    9    8  105                                            
CONECT   44   11   12   15                                            
CONECT   45   17   16  106                                            
CONECT   46   28   20  107                                            
CONECT   47   31   32   32                                            
CONECT   48    8    8                                                 
CONECT   49   13   14                                                 
CONECT   50   16   16                                                 
CONECT   51   28   28                                                 
CONECT   52   28   29                                                 
CONECT   53   30   32                                                 
CONECT   54   40    4                                                 
CONECT   55    1                                                      
CONECT   56    1                                                      
CONECT   57    1                                                      
CONECT   58    2                                                      
CONECT   59    3                                                      
CONECT   60    3                                                      
CONECT   61    3                                                      
CONECT   62    6                                                      
CONECT   63    6                                                      
CONECT   64    7                                                      
CONECT   65    7                                                      
CONECT   66    7                                                      
CONECT   67    9                                                      
CONECT   68   10                                                      
CONECT   69   10                                                      
CONECT   70   11                                                      
CONECT   71   11                                                      
CONECT   72   12                                                      
CONECT   73   12                                                      
CONECT   74   13                                                      
CONECT   75   13                                                      
CONECT   76   14                                                      
CONECT   77   14                                                      
CONECT   78   15                                                      
CONECT   79   15                                                      
CONECT   80   17                                                      
CONECT   81   18                                                      
CONECT   82   18                                                      
CONECT   83   19                                                      
CONECT   84   19                                                      
CONECT   85   20                                                      
CONECT   86   21                                                      
CONECT   87   21                                                      
CONECT   88   23                                                      
CONECT   89   24                                                      
CONECT   90   25                                                      
CONECT   91   26                                                      
CONECT   92   27                                                      
CONECT   93   29                                                      
CONECT   94   29                                                      
CONECT   95   31                                                      
CONECT   96   32                                                      
CONECT   97   33                                                      
CONECT   98   33                                                      
CONECT   99   35                                                      
CONECT  100   36                                                      
CONECT  101   37                                                      
CONECT  102   38                                                      
CONECT  103   39                                                      
CONECT  104   40                                                      
CONECT  105   43                                                      
CONECT  106   45                                                      
CONECT  107   46                                                      
MASTER        0    0    0    0    0    0    0    0  107    0  107    0
END
