COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.158   3.377   0.164  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.353  -2.766  -0.826  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.528   4.102   1.460  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.354  -3.167   0.260  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.414  -1.536  -0.377  1.00  0.00           N  
HETATM    6  N   UNL     1       1.041   1.663   0.491  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.777   2.749   0.274  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.751  -1.403  -0.517  1.00  0.00           C  
HETATM    9  C   UNL     1       1.462  -2.451  -0.201  1.00  0.00           C  
HETATM   10  C   UNL     1       2.407   1.609   0.691  1.00  0.00           C  
HETATM   11  C   UNL     1       2.788  -2.955  -0.169  1.00  0.00           C  
HETATM   12  C   UNL     1       2.846   2.906   1.004  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.073   2.162  -0.060  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.151  -3.718  -0.827  1.00  0.00           C  
HETATM   15  C   UNL     1       3.602  -1.913   0.132  1.00  0.00           C  
HETATM   16  C   UNL     1       1.751   3.734   0.986  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.091   1.000  -0.150  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.963  -2.815  -0.540  1.00  0.00           C  
HETATM   19  C   UNL     1       2.771  -0.774   0.282  1.00  0.00           C  
HETATM   20  C   UNL     1       0.627   2.957   0.664  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.024   1.975   1.123  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.300  -4.773   0.271  1.00  0.00           C  
HETATM   23  C   UNL     1       5.101  -1.957   0.278  1.00  0.00           C  
HETATM   24  C   UNL     1       4.265   3.315   1.305  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.026   0.864   0.803  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.186  -5.813   0.135  1.00  0.00           C  
HETATM   27  C   UNL     1       5.755  -1.558  -1.046  1.00  0.00           C  
HETATM   28  C   UNL     1       4.966   3.717   0.006  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.048   0.775   1.906  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.411  -6.922   1.130  1.00  0.00           C  
HETATM   31  C   UNL     1       7.254  -1.602  -0.900  1.00  0.00           C  
HETATM   32  C   UNL     1       6.385   4.126   0.308  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.226   4.334  -1.028  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.030  -2.754  -2.198  1.00  0.00           C  
HETATM   35  C   UNL     1       3.211  -4.379  -0.422  1.00  0.00           C  
HETATM   36  C   UNL     1       1.755   5.215   1.263  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.651   4.773  -1.239  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.031  -2.337  -3.247  1.00  0.00           C  
HETATM   39  C   UNL     1       3.092  -5.173   0.853  1.00  0.00           C  
HETATM   40  C   UNL     1       1.974   5.967  -0.024  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.667   3.481   0.554  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.518  -0.297  -0.418  1.00  0.00           C  
HETATM   43  C   UNL     1       0.291  -3.279  -0.479  1.00  0.00           C  
HETATM   44  C   UNL     1       3.241   0.503   0.606  1.00  0.00           C  
HETATM   45  N   UNL     1      -1.881   1.447   0.058  1.00  0.00           N  
HETATM   46  N   UNL     1       1.502  -1.153   0.067  1.00  0.00           N  
HETATM   47  O   UNL     1      -8.032  -0.136   1.838  1.00  0.00           O  
HETATM   48  O   UNL     1      -2.364  -6.885   1.871  1.00  0.00           O  
HETATM   49  O   UNL     1       3.418  -6.475   0.866  1.00  0.00           O  
HETATM   50  O   UNL     1       6.793   4.099   1.445  1.00  0.00           O  
HETATM   51  O   UNL     1      -6.982   1.523   2.852  1.00  0.00           O  
HETATM   52  O   UNL     1      -0.551  -7.952   1.192  1.00  0.00           O  
HETATM   53  O   UNL     1       2.702  -4.638   1.864  1.00  0.00           O  
HETATM   54  O   UNL     1       7.196   4.520  -0.687  1.00  0.00           O  
HETATM   55  O   UNL     1      -4.966   5.547  -2.290  1.00  0.00           O  
HETATM   56  O   UNL     1      -3.417  -2.203  -4.525  1.00  0.00           O  
HETATM   57  O   UNL     1       8.040  -1.289  -1.942  1.00  0.00           O  
HETATM   58  O   UNL     1       2.113   5.362  -1.061  1.00  0.00           O  
HETATM   59  O   UNL     1      -5.511   4.428  -0.464  1.00  0.00           O  
HETATM   60  O   UNL     1      -1.883  -2.124  -2.937  1.00  0.00           O  
HETATM   61  O   UNL     1       7.749  -1.920   0.155  1.00  0.00           O  
HETATM   62  O   UNL     1       2.015   7.308  -0.019  1.00  0.00           O  
HETATM   63  H   UNL     1      -2.814   4.904   1.644  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.530   4.521   1.368  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.504   3.396   2.290  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.168  -2.443   0.290  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.756  -4.155   0.036  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.852  -3.190   1.227  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.452   1.704   2.010  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.561   2.906   1.308  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.232  -4.293   1.247  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.269  -5.263   0.174  1.00  0.00           H  
HETATM   73  H   UNL     1       5.411  -1.263   1.059  1.00  0.00           H  
HETATM   74  H   UNL     1       5.411  -2.967   0.547  1.00  0.00           H  
HETATM   75  H   UNL     1       4.260   4.161   1.992  1.00  0.00           H  
HETATM   76  H   UNL     1       4.795   2.479   1.761  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.527   1.087  -0.140  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.499  -0.086   0.717  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.194  -6.223  -0.875  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.223  -5.340   0.328  1.00  0.00           H  
HETATM   81  H   UNL     1       5.446  -2.253  -1.828  1.00  0.00           H  
HETATM   82  H   UNL     1       5.446  -0.548  -1.315  1.00  0.00           H  
HETATM   83  H   UNL     1       4.971   2.871  -0.681  1.00  0.00           H  
HETATM   84  H   UNL     1       4.436   4.552  -0.450  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.602   5.206  -0.829  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.865   3.826  -1.922  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.403  -3.752  -2.428  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.861  -2.049  -2.188  1.00  0.00           H  
HETATM   89  H   UNL     1       2.570  -4.819  -1.185  1.00  0.00           H  
HETATM   90  H   UNL     1       4.246  -4.395  -0.764  1.00  0.00           H  
HETATM   91  H   UNL     1       0.798   5.506   1.696  1.00  0.00           H  
HETATM   92  H   UNL     1       2.557   5.451   1.963  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.796   4.557   0.703  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.599  -0.437  -0.567  1.00  0.00           H  
HETATM   95  H   UNL     1       0.446  -4.347  -0.649  1.00  0.00           H  
HETATM   96  H   UNL     1       4.304   0.635   0.802  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.664  -0.155   2.570  1.00  0.00           H  
HETATM   98  H   UNL     1       3.324  -6.943   1.708  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.737  -8.639   1.846  1.00  0.00           H  
HETATM  100  H   UNL     1       8.097   4.773  -0.444  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.894   5.804  -2.384  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.741  -1.933  -5.162  1.00  0.00           H  
HETATM  103  H   UNL     1       8.996  -1.332  -1.800  1.00  0.00           H  
HETATM  104  H   UNL     1       2.158   7.746  -0.869  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.826  -0.791  -0.179  1.00  0.00           H  
HETATM  106  H   UNL     1       0.471   0.911   0.265  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.632   2.267  -0.990  1.00  0.00           H  
HETATM  108  H   UNL     1      -2.042  -4.195  -1.801  1.00  0.00           H  
CONECT    1   13   33    7    3                                       
CONECT    2   34   14    4    8                                       
CONECT    3    1   63   64   65                                       
CONECT    4    2   66   67   68                                       
CONECT    5   18    8  105                                            
CONECT    6   10   20  106                                            
CONECT    7   45    1   41   41                                       
CONECT    8    2    5   42   42                                       
CONECT    9   43   11   46   46                                       
CONECT   10   44    6   12   12                                       
CONECT   11   35    9   15   15                                       
CONECT   12   10   10   16   24                                       
CONECT   13   17   21    1  107                                       
CONECT   14   22    2   18  108                                       
CONECT   15   11   11   19   23                                       
CONECT   16   20   20   12   36                                       
CONECT   17   42   45   45   13                                       
CONECT   18   14   43   43    5                                       
CONECT   19   46   15   44   44                                       
CONECT   20    6   41   16   16                                       
CONECT   21   25   13   69   70                                       
CONECT   22   26   14   71   72                                       
CONECT   23   15   27   73   74                                       
CONECT   24   12   28   75   76                                       
CONECT   25   29   21   77   78                                       
CONECT   26   30   22   79   80                                       
CONECT   27   23   31   81   82                                       
CONECT   28   24   32   83   84                                       
CONECT   29   51   51   25   47                                       
CONECT   30   48   48   52   26                                       
CONECT   31   27   61   61   57                                       
CONECT   32   28   50   50   54                                       
CONECT   33   37    1   85   86                                       
CONECT   34   38    2   87   88                                       
CONECT   35   39   11   89   90                                       
CONECT   36   16   40   91   92                                       
CONECT   37   59   59   33   55                                       
CONECT   38   60   60   34   56                                       
CONECT   39   53   53   49   35                                       
CONECT   40   36   58   58   62                                       
CONECT   41    7    7   20   93                                       
CONECT   42    8    8   17   94                                       
CONECT   43   18   18    9   95                                       
CONECT   44   19   19   10   96                                       
CONECT   45   17   17    7                                            
CONECT   46    9    9   19                                            
CONECT   47   29   97                                                 
CONECT   48   30   30                                                 
CONECT   49   39   98                                                 
CONECT   50   32   32                                                 
CONECT   51   29   29                                                 
CONECT   52   30   99                                                 
CONECT   53   39   39                                                 
CONECT   54   32  100                                                 
CONECT   55   37  101                                                 
CONECT   56   38  102                                                 
CONECT   57   31  103                                                 
CONECT   58   40   40                                                 
CONECT   59   37   37                                                 
CONECT   60   38   38                                                 
CONECT   61   31   31                                                 
CONECT   62   40  104                                                 
CONECT   63    3                                                      
CONECT   64    3                                                      
CONECT   65    3                                                      
CONECT   66    4                                                      
CONECT   67    4                                                      
CONECT   68    4                                                      
CONECT   69   21                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   28                                                      
CONECT   85   33                                                      
CONECT   86   33                                                      
CONECT   87   34                                                      
CONECT   88   34                                                      
CONECT   89   35                                                      
CONECT   90   35                                                      
CONECT   91   36                                                      
CONECT   92   36                                                      
CONECT   93   41                                                      
CONECT   94   42                                                      
CONECT   95   43                                                      
CONECT   96   44                                                      
CONECT   97   47                                                      
CONECT   98   49                                                      
CONECT   99   52                                                      
CONECT  100   54                                                      
CONECT  101   55                                                      
CONECT  102   56                                                      
CONECT  103   57                                                      
CONECT  104   62                                                      
CONECT  105    5                                                      
CONECT  106    6                                                      
CONECT  107   13                                                      
CONECT  108   14                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
