COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.075  -1.367  -0.457  1.00  0.00           C  
HETATM    2  C   UNL     1       1.219   1.054   0.235  1.00  0.00           C  
HETATM    3  C   UNL     1       0.603   0.426  -2.095  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.853   0.474  -1.601  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.272  -0.852  -0.976  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.313  -1.274   0.148  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.747  -2.635   0.694  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.168  -2.529   1.253  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.125  -2.100   0.139  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.545  -1.993   0.699  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.502  -1.567  -0.417  1.00  0.00           C  
HETATM   12  C   UNL     1       2.208  -1.710   0.517  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.068  -0.208  -0.969  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.648  -0.314  -1.528  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.690  -0.741  -0.414  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.714   0.298   0.708  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.601   2.091  -0.364  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.591   3.083   0.802  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.418   1.923   1.829  1.00  0.00           C  
HETATM   20  C   UNL     1       3.467  -1.160  -0.207  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.447   0.920   0.672  1.00  0.00           C  
HETATM   22  C   UNL     1       3.716   0.400   1.603  1.00  0.00           C  
HETATM   23  C   UNL     1       4.702   1.032   2.552  1.00  0.00           C  
HETATM   24  C   UNL     1       4.844   2.334   2.577  1.00  0.00           C  
HETATM   25  C   UNL     1       5.538   0.040   0.068  1.00  0.00           C  
HETATM   26  C   UNL     1       6.644  -1.044   0.036  1.00  0.00           C  
HETATM   27  C   UNL     1       6.460  -1.720   1.421  1.00  0.00           C  
HETATM   28  C   UNL     1       4.932  -1.676   1.629  1.00  0.00           C  
HETATM   29  C   UNL     1       2.970  -0.050  -1.166  1.00  0.00           C  
HETATM   30  C   UNL     1       4.431   1.717  -1.815  1.00  0.00           C  
HETATM   31  C   UNL     1       5.081   3.062  -1.612  1.00  0.00           C  
HETATM   32  C   UNL     1       1.471   0.066  -0.906  1.00  0.00           C  
HETATM   33  N   UNL     1      -5.095   0.790   0.109  1.00  0.00           N  
HETATM   34  N   UNL     1       4.405  -0.597   0.773  1.00  0.00           N1+
HETATM   35  O   UNL     1      -5.474  -2.538  -1.465  1.00  0.00           O  
HETATM   36  O   UNL     1      -5.906   3.172   1.357  1.00  0.00           O  
HETATM   37  O   UNL     1       3.631   1.208  -0.865  1.00  0.00           O  
HETATM   38  O   UNL     1       4.631   1.098  -2.833  1.00  0.00           O  
HETATM   39  H   UNL     1       1.073  -2.046  -1.309  1.00  0.00           H  
HETATM   40  H   UNL     1       1.670   0.673   1.152  1.00  0.00           H  
HETATM   41  H   UNL     1       1.663   2.018  -0.014  1.00  0.00           H  
HETATM   42  H   UNL     1       0.146   1.174   0.381  1.00  0.00           H  
HETATM   43  H   UNL     1       0.706  -0.332  -2.872  1.00  0.00           H  
HETATM   44  H   UNL     1       0.894   1.400  -2.487  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.951   1.265  -0.858  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.508   0.693  -2.444  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.258  -1.624  -1.745  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.321  -0.524   0.939  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.726  -3.372  -0.109  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.067  -2.942   1.487  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.477  -3.498   1.644  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.189  -1.791   2.054  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.105  -2.839  -0.661  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.854  -2.961   1.093  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.565  -1.252   1.498  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.513  -1.491  -0.018  1.00  0.00           H  
HETATM   57  H   UNL     1       2.061  -1.207   1.472  1.00  0.00           H  
HETATM   58  H   UNL     1       2.281  -2.789   0.658  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.749   0.096  -1.763  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.627  -1.054  -2.328  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.339   0.654  -1.922  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.543   1.290   0.289  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.685   0.276   1.204  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.931   0.070   1.432  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.255   2.464  -1.153  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.590   1.977  -0.754  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.896   2.737   1.567  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.280   4.064   0.443  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.429   2.065   2.212  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.777   1.544   2.624  1.00  0.00           H  
HETATM   71  H   UNL     1       3.950  -1.955  -0.774  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.783  -0.050   1.040  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.131   1.273  -0.099  1.00  0.00           H  
HETATM   74  H   UNL     1       2.924  -0.086   2.173  1.00  0.00           H  
HETATM   75  H   UNL     1       3.284   1.169   0.963  1.00  0.00           H  
HETATM   76  H   UNL     1       5.292   0.412   3.210  1.00  0.00           H  
HETATM   77  H   UNL     1       5.551   2.787   3.257  1.00  0.00           H  
HETATM   78  H   UNL     1       4.254   2.955   1.919  1.00  0.00           H  
HETATM   79  H   UNL     1       5.882   0.917   0.617  1.00  0.00           H  
HETATM   80  H   UNL     1       5.248   0.315  -0.946  1.00  0.00           H  
HETATM   81  H   UNL     1       6.471  -1.755  -0.771  1.00  0.00           H  
HETATM   82  H   UNL     1       7.632  -0.592  -0.050  1.00  0.00           H  
HETATM   83  H   UNL     1       6.817  -2.750   1.397  1.00  0.00           H  
HETATM   84  H   UNL     1       6.972  -1.152   2.198  1.00  0.00           H  
HETATM   85  H   UNL     1       4.490  -2.629   1.337  1.00  0.00           H  
HETATM   86  H   UNL     1       4.706  -1.464   2.674  1.00  0.00           H  
HETATM   87  H   UNL     1       3.152  -0.335  -2.201  1.00  0.00           H  
HETATM   88  H   UNL     1       5.689   3.307  -2.482  1.00  0.00           H  
HETATM   89  H   UNL     1       4.310   3.822  -1.482  1.00  0.00           H  
HETATM   90  H   UNL     1       5.712   3.030  -0.724  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.738  -3.425  -1.186  1.00  0.00           H  
CONECT    1   12    6   32   39                                       
CONECT    2   32   40   41   42                                       
CONECT    3   32    4   43   44                                       
CONECT    4    5    3   45   46                                       
CONECT    5    6   15    4   47                                       
CONECT    6    7    1    5   48                                       
CONECT    7    8    6   49   50                                       
CONECT    8    7    9   51   52                                       
CONECT    9    8   10   15   53                                       
CONECT   10    9   11   54   55                                       
CONECT   11   10   35   13   56                                       
CONECT   12   20    1   57   58                                       
CONECT   13   11   14   33   59                                       
CONECT   14   15   13   60   61                                       
CONECT   15    9    5   16   14                                       
CONECT   16   15   62   63   64                                       
CONECT   17   33   18   65   66                                       
CONECT   18   17   36   67   68                                       
CONECT   19   21   36   69   70                                       
CONECT   20   34   12   29   71                                       
CONECT   21   33   19   72   73                                       
CONECT   22   23   34   74   75                                       
CONECT   23   24   24   22   76                                       
CONECT   24   23   23   77   78                                       
CONECT   25   26   34   79   80                                       
CONECT   26   27   25   81   82                                       
CONECT   27   28   26   83   84                                       
CONECT   28   27   34   85   86                                       
CONECT   29   20   37   32   87                                       
CONECT   30   37   38   38   31                                       
CONECT   31   30   88   89   90                                       
CONECT   32   29    1    2    3                                       
CONECT   33   13   21   17                                            
CONECT   34   22   25   28   20                                       
CONECT   35   11   91                                                 
CONECT   36   19   18                                                 
CONECT   37   29   30                                                 
CONECT   38   30   30                                                 
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   25                                                      
CONECT   81   26                                                      
CONECT   82   26                                                      
CONECT   83   27                                                      
CONECT   84   27                                                      
CONECT   85   28                                                      
CONECT   86   28                                                      
CONECT   87   29                                                      
CONECT   88   31                                                      
CONECT   89   31                                                      
CONECT   90   31                                                      
CONECT   91   35                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
