COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.479  -1.339   0.219  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.063  -0.073   1.484  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.450   0.664  -0.828  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.092   1.034  -1.440  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.656   0.038  -2.504  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.176  -1.357  -2.208  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.673  -2.689  -0.673  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.274   0.791   2.433  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.430   0.209   3.355  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.696   1.012   4.230  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.830   2.400   4.173  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.683   2.969   3.250  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.403   2.168   2.382  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.784   0.394   5.216  1.00  0.00           C  
HETATM   15  C   UNL     1       0.772   0.594   6.986  1.00  0.00           C  
HETATM   16  C   UNL     1       2.490  -2.019   8.742  1.00  0.00           C  
HETATM   17  C   UNL     1       3.393  -1.847   9.771  1.00  0.00           C  
HETATM   18  C   UNL     1       3.713  -0.574  10.220  1.00  0.00           C  
HETATM   19  C   UNL     1       3.135   0.535   9.645  1.00  0.00           C  
HETATM   20  C   UNL     1       2.219   0.378   8.602  1.00  0.00           C  
HETATM   21  C   UNL     1       1.898  -0.913   8.152  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.330   0.042  -1.914  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.582   0.865  -2.078  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.609   1.912  -2.981  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.757   2.666  -3.131  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.879   2.374  -2.379  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.854   1.326  -1.477  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.707   0.569  -1.330  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.583  -2.341  -3.218  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.097  -2.017  -4.597  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.351  -1.218  -5.443  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.822  -0.920  -6.708  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.040  -1.423  -7.127  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.785  -2.223  -6.282  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.312  -2.524  -5.019  1.00  0.00           C  
HETATM   36  C   UNL     1       0.569  -1.895  -0.364  1.00  0.00           C  
HETATM   37  C   UNL     1       1.456  -1.585  -1.374  1.00  0.00           C  
HETATM   38  C   UNL     1       2.604  -0.844  -1.086  1.00  0.00           C  
HETATM   39  C   UNL     1       2.852  -0.431   0.223  1.00  0.00           C  
HETATM   40  C   UNL     1       1.959  -0.753   1.224  1.00  0.00           C  
HETATM   41  C   UNL     1       0.820  -1.482   0.932  1.00  0.00           C  
HETATM   42  C   UNL     1       3.556  -0.503  -2.164  1.00  0.00           C  
HETATM   43  C   UNL     1       5.557   0.527  -2.892  1.00  0.00           C  
HETATM   44  C   UNL     1       8.484   1.962  -4.318  1.00  0.00           C  
HETATM   45  C   UNL     1       8.871   1.923  -5.639  1.00  0.00           C  
HETATM   46  C   UNL     1       8.091   1.271  -6.582  1.00  0.00           C  
HETATM   47  C   UNL     1       6.915   0.652  -6.210  1.00  0.00           C  
HETATM   48  C   UNL     1       6.509   0.683  -4.884  1.00  0.00           C  
HETATM   49  C   UNL     1       7.295   1.342  -3.925  1.00  0.00           C  
HETATM   50  N   UNL     1      -3.286  -0.290   0.261  1.00  0.00           N  
HETATM   51  N   UNL     1      -1.803  -1.776  -0.856  1.00  0.00           N  
HETATM   52  N   UNL     1      -0.081   1.172   6.063  1.00  0.00           N  
HETATM   53  N   UNL     1       0.980  -0.746   7.129  1.00  0.00           N  
HETATM   54  N   UNL     1       1.504   1.253   7.848  1.00  0.00           N  
HETATM   55  N   UNL     1       4.666   0.208  -1.883  1.00  0.00           N  
HETATM   56  N   UNL     1       6.659   1.216  -2.731  1.00  0.00           N  
HETATM   57  N   UNL     1       5.415   0.176  -4.203  1.00  0.00           N  
HETATM   58  O   UNL     1      -2.336  -1.965   1.251  1.00  0.00           O  
HETATM   59  O   UNL     1      -2.186   2.332  -2.029  1.00  0.00           O  
HETATM   60  O   UNL     1      -0.228   0.002  -2.553  1.00  0.00           O  
HETATM   61  O   UNL     1      -0.669  -0.814   5.264  1.00  0.00           O  
HETATM   62  O   UNL     1       3.339  -0.863  -3.304  1.00  0.00           O  
HETATM   63  H   UNL     1      -5.001   0.422   1.235  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.273  -1.032   1.956  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.932   1.564  -0.447  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.342   1.057  -0.649  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.037   0.363  -3.473  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.263  -1.362  -2.299  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.884  -3.369   0.152  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.519  -3.265  -1.586  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.330  -0.865   3.394  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.268   3.026   4.850  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.788   4.043   3.204  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.068   2.619   1.661  1.00  0.00           H  
HETATM   75  H   UNL     1       2.244  -3.012   8.398  1.00  0.00           H  
HETATM   76  H   UNL     1       3.853  -2.709  10.231  1.00  0.00           H  
HETATM   77  H   UNL     1       4.421  -0.452  11.026  1.00  0.00           H  
HETATM   78  H   UNL     1       3.388   1.523  10.000  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.784   0.021  -2.857  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.599  -0.973  -1.627  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.732   2.140  -3.568  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.777   3.484  -3.836  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.777   2.964  -2.496  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.730   1.098  -0.889  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.686  -0.248  -0.625  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.496  -2.261  -3.208  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.875  -3.357  -2.951  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.400  -0.825  -5.115  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.240  -0.295  -7.368  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.409  -1.190  -8.115  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.737  -2.616  -6.609  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.894  -3.150  -4.358  1.00  0.00           H  
HETATM   93  H   UNL     1       1.259  -1.908  -2.385  1.00  0.00           H  
HETATM   94  H   UNL     1       3.740   0.138   0.453  1.00  0.00           H  
HETATM   95  H   UNL     1       2.149  -0.434   2.239  1.00  0.00           H  
HETATM   96  H   UNL     1       0.124  -1.731   1.719  1.00  0.00           H  
HETATM   97  H   UNL     1       9.097   2.471  -3.589  1.00  0.00           H  
HETATM   98  H   UNL     1       9.790   2.402  -5.942  1.00  0.00           H  
HETATM   99  H   UNL     1       8.406   1.247  -7.615  1.00  0.00           H  
HETATM  100  H   UNL     1       6.312   0.146  -6.949  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.173   2.137   6.025  1.00  0.00           H  
HETATM  102  H   UNL     1       0.563  -1.452   6.610  1.00  0.00           H  
HETATM  103  H   UNL     1       4.840   0.496  -0.973  1.00  0.00           H  
HETATM  104  H   UNL     1       4.684  -0.332  -4.587  1.00  0.00           H  
HETATM  105  H   UNL     1      -1.311   2.541  -2.386  1.00  0.00           H  
HETATM  106  H   UNL     1       0.066   0.896  -2.774  1.00  0.00           H  
CONECT    1   50   51   58   58                                       
CONECT    2    8   50   63   64                                       
CONECT    3    4   22   50   65                                       
CONECT    4    3    5   59   66                                       
CONECT    5    4    6   60   67                                       
CONECT    6    5   29   51   68                                       
CONECT    7   36   51   69   70                                       
CONECT    8    2    9    9   13                                       
CONECT    9    8    8   10   71                                       
CONECT   10    9   11   11   14                                       
CONECT   11   10   10   12   72                                       
CONECT   12   11   13   13   73                                       
CONECT   13    8   12   12   74                                       
CONECT   14   10   52   61   61                                       
CONECT   15   52   53   54   54                                       
CONECT   16   17   21   21   75                                       
CONECT   17   16   18   18   76                                       
CONECT   18   17   17   19   77                                       
CONECT   19   18   20   20   78                                       
CONECT   20   19   19   21   54                                       
CONECT   21   16   16   20   53                                       
CONECT   22    3   23   79   80                                       
CONECT   23   22   24   24   28                                       
CONECT   24   23   23   25   81                                       
CONECT   25   24   26   26   82                                       
CONECT   26   25   25   27   83                                       
CONECT   27   26   28   28   84                                       
CONECT   28   23   27   27   85                                       
CONECT   29    6   30   86   87                                       
CONECT   30   29   31   31   35                                       
CONECT   31   30   30   32   88                                       
CONECT   32   31   33   33   89                                       
CONECT   33   32   32   34   90                                       
CONECT   34   33   35   35   91                                       
CONECT   35   30   34   34   92                                       
CONECT   36    7   37   37   41                                       
CONECT   37   36   36   38   93                                       
CONECT   38   37   39   39   42                                       
CONECT   39   38   38   40   94                                       
CONECT   40   39   41   41   95                                       
CONECT   41   36   40   40   96                                       
CONECT   42   38   55   62   62                                       
CONECT   43   55   56   56   57                                       
CONECT   44   45   45   49   97                                       
CONECT   45   44   44   46   98                                       
CONECT   46   45   47   47   99                                       
CONECT   47   46   46   48  100                                       
CONECT   48   47   49   49   57                                       
CONECT   49   44   48   48   56                                       
CONECT   50    1    2    3                                            
CONECT   51    1    6    7                                            
CONECT   52   14   15  101                                            
CONECT   53   15   21  102                                            
CONECT   54   15   15   20                                            
CONECT   55   42   43  103                                            
CONECT   56   43   43   49                                            
CONECT   57   43   48  104                                            
CONECT   58    1    1                                                 
CONECT   59    4  105                                                 
CONECT   60    5  106                                                 
CONECT   61   14   14                                                 
CONECT   62   42   42                                                 
CONECT   63    2                                                      
CONECT   64    2                                                      
CONECT   65    3                                                      
CONECT   66    4                                                      
CONECT   67    5                                                      
CONECT   68    6                                                      
CONECT   69    7                                                      
CONECT   70    7                                                      
CONECT   71    9                                                      
CONECT   72   11                                                      
CONECT   73   12                                                      
CONECT   74   13                                                      
CONECT   75   16                                                      
CONECT   76   17                                                      
CONECT   77   18                                                      
CONECT   78   19                                                      
CONECT   79   22                                                      
CONECT   80   22                                                      
CONECT   81   24                                                      
CONECT   82   25                                                      
CONECT   83   26                                                      
CONECT   84   27                                                      
CONECT   85   28                                                      
CONECT   86   29                                                      
CONECT   87   29                                                      
CONECT   88   31                                                      
CONECT   89   32                                                      
CONECT   90   33                                                      
CONECT   91   34                                                      
CONECT   92   35                                                      
CONECT   93   37                                                      
CONECT   94   39                                                      
CONECT   95   40                                                      
CONECT   96   41                                                      
CONECT   97   44                                                      
CONECT   98   45                                                      
CONECT   99   46                                                      
CONECT  100   47                                                      
CONECT  101   52                                                      
CONECT  102   53                                                      
CONECT  103   55                                                      
CONECT  104   57                                                      
CONECT  105   59                                                      
CONECT  106   60                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
