COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.881   4.173   0.236  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.235  -1.500  -0.112  1.00  0.00           C  
HETATM    3  O   UNL     1       0.363  -2.135   4.050  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.433  -1.148   1.162  1.00  0.00           C  
HETATM    5  O   UNL     1       3.889  -0.251  -0.135  1.00  0.00           O  
HETATM    6  C   UNL     1      -1.456  -1.483   2.194  1.00  0.00           C  
HETATM    7  O   UNL     1       3.681   2.543  -0.663  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.220  -1.938   1.863  1.00  0.00           C  
HETATM    9  O   UNL     1       6.189   0.004   0.170  1.00  0.00           O  
HETATM   10  C   UNL     1       0.696  -2.248   2.886  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.593  -0.194  -2.045  1.00  0.00           O  
HETATM   12  C   UNL     1       2.089  -2.726   2.558  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.498  -2.180  -2.528  1.00  0.00           O  
HETATM   14  C   UNL     1       2.908  -2.735   3.854  1.00  0.00           C  
HETATM   15  O   UNL     1      -5.070  -0.992   0.410  1.00  0.00           O  
HETATM   16  C   UNL     1       2.758  -1.784   1.561  1.00  0.00           C  
HETATM   17  O   UNL     1      -7.387  -0.227   1.885  1.00  0.00           O  
HETATM   18  C   UNL     1       3.182  -2.527   0.294  1.00  0.00           C  
HETATM   19  O   UNL     1      -8.125   1.915   0.241  1.00  0.00           O  
HETATM   20  C   UNL     1       4.111  -3.692   0.673  1.00  0.00           C  
HETATM   21  O   UNL     1      -6.677   4.308   0.373  1.00  0.00           O  
HETATM   22  C   UNL     1       3.946  -1.586  -0.639  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.815   1.222  -0.285  1.00  0.00           O  
HETATM   24  C   UNL     1       5.029   0.544  -0.466  1.00  0.00           C  
HETATM   25  C   UNL     1       4.806   1.980   0.015  1.00  0.00           C  
HETATM   26  C   UNL     1       6.056   2.812  -0.290  1.00  0.00           C  
HETATM   27  C   UNL     1       5.803   4.164   1.703  1.00  0.00           C  
HETATM   28  C   UNL     1       6.957   5.059  -0.228  1.00  0.00           C  
HETATM   29  C   UNL     1       7.268   2.156   0.378  1.00  0.00           C  
HETATM   30  C   UNL     1       7.396   0.713  -0.117  1.00  0.00           C  
HETATM   31  C   UNL     1       8.568   0.032   0.591  1.00  0.00           C  
HETATM   32  C   UNL     1       3.370  -1.608  -2.053  1.00  0.00           C  
HETATM   33  C   UNL     1       3.530  -2.983  -2.686  1.00  0.00           C  
HETATM   34  C   UNL     1       1.939  -1.151  -2.050  1.00  0.00           C  
HETATM   35  C   UNL     1       0.909  -1.950  -2.271  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.457  -1.377  -2.274  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.848  -1.684  -2.529  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.046  -0.618  -3.608  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.869  -1.252  -4.990  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.238  -1.110  -1.166  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.620  -1.650  -0.775  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.751   0.241   0.167  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.409   0.725   1.462  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.904  -1.170   2.845  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.086   2.075   1.208  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.043   3.065   0.681  1.00  0.00           C  
HETATM   47  C   UNL     1      -5.399   2.491  -0.583  1.00  0.00           C  
HETATM   48  C   UNL     1      -4.313   3.447  -1.082  1.00  0.00           C  
HETATM   49  H   UNL     1      -1.360  -2.076  -0.373  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.329  -0.607   1.438  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.725  -1.378   3.241  1.00  0.00           H  
HETATM   52  H   UNL     1       2.855   2.063  -0.518  1.00  0.00           H  
HETATM   53  H   UNL     1       0.063  -2.060   0.831  1.00  0.00           H  
HETATM   54  H   UNL     1       2.024  -3.735   2.164  1.00  0.00           H  
HETATM   55  H   UNL     1       2.441  -3.406   4.575  1.00  0.00           H  
HETATM   56  H   UNL     1       3.920  -3.078   3.642  1.00  0.00           H  
HETATM   57  H   UNL     1       2.945  -1.727   4.268  1.00  0.00           H  
HETATM   58  H   UNL     1       2.065  -0.984   1.298  1.00  0.00           H  
HETATM   59  H   UNL     1       3.643  -1.335   2.022  1.00  0.00           H  
HETATM   60  H   UNL     1       2.299  -2.921  -0.205  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.597   2.733   0.031  1.00  0.00           H  
HETATM   62  H   UNL     1       3.584  -4.376   1.337  1.00  0.00           H  
HETATM   63  H   UNL     1       4.415  -4.223  -0.229  1.00  0.00           H  
HETATM   64  H   UNL     1       4.994  -3.302   1.180  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.074   4.984   0.033  1.00  0.00           H  
HETATM   66  H   UNL     1       4.994  -1.911  -0.680  1.00  0.00           H  
HETATM   67  H   UNL     1       5.172   0.541  -1.547  1.00  0.00           H  
HETATM   68  H   UNL     1       4.621   1.980   1.089  1.00  0.00           H  
HETATM   69  H   UNL     1       6.211   2.855  -1.368  1.00  0.00           H  
HETATM   70  H   UNL     1       6.721   3.745   2.114  1.00  0.00           H  
HETATM   71  H   UNL     1       5.673   5.183   2.066  1.00  0.00           H  
HETATM   72  H   UNL     1       4.954   3.556   2.018  1.00  0.00           H  
HETATM   73  H   UNL     1       6.896   5.168  -1.310  1.00  0.00           H  
HETATM   74  H   UNL     1       6.852   6.036   0.243  1.00  0.00           H  
HETATM   75  H   UNL     1       7.923   4.629   0.040  1.00  0.00           H  
HETATM   76  H   UNL     1       8.171   2.711   0.121  1.00  0.00           H  
HETATM   77  H   UNL     1       7.134   2.159   1.460  1.00  0.00           H  
HETATM   78  H   UNL     1       7.570   0.712  -1.193  1.00  0.00           H  
HETATM   79  H   UNL     1       8.658  -0.996   0.239  1.00  0.00           H  
HETATM   80  H   UNL     1       9.489   0.573   0.372  1.00  0.00           H  
HETATM   81  H   UNL     1       8.394   0.034   1.667  1.00  0.00           H  
HETATM   82  H   UNL     1       3.948  -0.888  -2.668  1.00  0.00           H  
HETATM   83  H   UNL     1       3.005  -3.724  -2.083  1.00  0.00           H  
HETATM   84  H   UNL     1       3.111  -2.971  -3.692  1.00  0.00           H  
HETATM   85  H   UNL     1       4.588  -3.239  -2.736  1.00  0.00           H  
HETATM   86  H   UNL     1       1.738  -0.096  -1.836  1.00  0.00           H  
HETATM   87  H   UNL     1       1.000  -3.007  -2.444  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.533  -2.518  -2.757  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.049  -0.200  -3.526  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.310   0.175  -3.475  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.010  -0.492  -5.759  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.866  -1.670  -5.072  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.606  -2.044  -5.123  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.291  -0.028  -1.225  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.552  -2.723  -0.592  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.325  -1.463  -1.585  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.516   0.090  -0.595  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.650   0.836   2.237  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.678  -1.910   3.048  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.019  -1.669   2.450  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.647  -0.650   3.767  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.510   2.451   2.139  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.277   3.226   1.440  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.159   2.370  -1.355  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.854   3.038  -1.982  1.00  0.00           H  
HETATM  106  H   UNL     1      -4.758   4.416  -1.310  1.00  0.00           H  
HETATM  107  H   UNL     1      -3.553   3.569  -0.310  1.00  0.00           H  
CONECT    1   26   27   28                                            
CONECT    2    4    4   40   49                                       
CONECT    3   10   10                                                 
CONECT    4    2    2    6   50                                       
CONECT    5   22   24                                                 
CONECT    6    4    8    8   51                                       
CONECT    7   25   52                                                 
CONECT    8    6    6   10   53                                       
CONECT    9   24   30                                                 
CONECT   10    3    3    8   12                                       
CONECT   11   36   36                                                 
CONECT   12   10   14   16   54                                       
CONECT   13   36   37                                                 
CONECT   14   12   55   56   57                                       
CONECT   15   41   42                                                 
CONECT   16   12   18   58   59                                       
CONECT   17   43   44                                                 
CONECT   18   16   20   22   60                                       
CONECT   19   45   61                                                 
CONECT   20   18   62   63   64                                       
CONECT   21   46   65                                                 
CONECT   22    5   18   32   66                                       
CONECT   23   42   47                                                 
CONECT   24    5    9   25   67                                       
CONECT   25    7   24   26   68                                       
CONECT   26    1   25   29   69                                       
CONECT   27    1   70   71   72                                       
CONECT   28    1   73   74   75                                       
CONECT   29   26   30   76   77                                       
CONECT   30    9   29   31   78                                       
CONECT   31   30   79   80   81                                       
CONECT   32   22   33   34   82                                       
CONECT   33   32   83   84   85                                       
CONECT   34   32   35   35   86                                       
CONECT   35   34   34   36   87                                       
CONECT   36   11   11   13   35                                       
CONECT   37   13   38   40   88                                       
CONECT   38   37   39   89   90                                       
CONECT   39   38   91   92   93                                       
CONECT   40    2   37   41   94                                       
CONECT   41   15   40   95   96                                       
CONECT   42   15   23   43   97                                       
CONECT   43   17   42   45   98                                       
CONECT   44   17   99  100  101                                       
CONECT   45   19   43   46  102                                       
CONECT   46   21   45   47  103                                       
CONECT   47   23   46   48  104                                       
CONECT   48   47  105  106  107                                       
CONECT   49    2                                                      
CONECT   50    4                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54   12                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   33                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   37                                                      
CONECT   89   38                                                      
CONECT   90   38                                                      
CONECT   91   39                                                      
CONECT   92   39                                                      
CONECT   93   39                                                      
CONECT   94   40                                                      
CONECT   95   41                                                      
CONECT   96   41                                                      
CONECT   97   42                                                      
CONECT   98   43                                                      
CONECT   99   44                                                      
CONECT  100   44                                                      
CONECT  101   44                                                      
CONECT  102   45                                                      
CONECT  103   46                                                      
CONECT  104   47                                                      
CONECT  105   48                                                      
CONECT  106   48                                                      
CONECT  107   48                                                      
MASTER        0    0    0    0    0    0    0    0  107    0  107    0
END
