COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.575  -3.070   0.530  1.00  0.00           C  
HETATM    2  C   UNL     1     -10.598  -3.638  -0.455  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.869  -4.392  -1.569  1.00  0.00           C  
HETATM    4  C   UNL     1     -11.537  -4.596   0.280  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.729  -2.034  -0.165  1.00  0.00           C  
HETATM    6  O   UNL     1      -8.925  -1.776  -1.333  1.00  0.00           O  
HETATM    7  N   UNL     1      -7.754  -1.395   0.512  1.00  0.00           N  
HETATM    8  C   UNL     1      -6.932  -0.389  -0.163  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.601  -0.276   0.535  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.478  -0.674   1.674  1.00  0.00           O  
HETATM   11  C   UNL     1      -7.646   0.964  -0.122  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.960   0.872  -0.901  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.939   1.342   1.331  1.00  0.00           C  
HETATM   14  N   UNL     1      -4.547   0.267  -0.107  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.230   0.285   0.534  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.410   1.414  -0.035  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.709   1.902  -1.104  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.518  -1.044   0.272  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.322  -2.185   0.898  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.400  -1.271  -1.236  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.345   1.883   0.645  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.604   3.041   0.139  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.285   4.328   0.609  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.675   4.429  -0.023  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.405   5.649   0.543  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.537   4.575  -1.539  1.00  0.00           C  
HETATM   27  C   UNL     1       0.830   3.000   0.669  1.00  0.00           C  
HETATM   28  O   UNL     1       0.811   3.034   2.098  1.00  0.00           O  
HETATM   29  C   UNL     1       1.512   1.713   0.199  1.00  0.00           C  
HETATM   30  C   UNL     1       2.959   1.730   0.617  1.00  0.00           C  
HETATM   31  O   UNL     1       3.403   2.677   1.230  1.00  0.00           O  
HETATM   32  N   UNL     1       3.761   0.691   0.309  1.00  0.00           N  
HETATM   33  C   UNL     1       5.169   0.707   0.715  1.00  0.00           C  
HETATM   34  C   UNL     1       5.969  -0.174  -0.209  1.00  0.00           C  
HETATM   35  O   UNL     1       5.417  -0.758  -1.118  1.00  0.00           O  
HETATM   36  C   UNL     1       5.292   0.188   2.149  1.00  0.00           C  
HETATM   37  N   UNL     1       7.297  -0.313  -0.026  1.00  0.00           N  
HETATM   38  C   UNL     1       8.074  -1.171  -0.924  1.00  0.00           C  
HETATM   39  C   UNL     1       8.477  -0.374  -2.167  1.00  0.00           C  
HETATM   40  C   UNL     1       7.224   0.008  -2.957  1.00  0.00           C  
HETATM   41  C   UNL     1       7.615   0.909  -4.130  1.00  0.00           C  
HETATM   42  C   UNL     1       6.550  -1.258  -3.489  1.00  0.00           C  
HETATM   43  C   UNL     1       9.331  -1.660  -0.202  1.00  0.00           C  
HETATM   44  O   UNL     1      10.123  -0.536   0.188  1.00  0.00           O  
HETATM   45  C   UNL     1       8.928  -2.456   1.040  1.00  0.00           C  
HETATM   46  C   UNL     1      10.159  -3.041   1.684  1.00  0.00           C  
HETATM   47  O   UNL     1      11.247  -2.841   1.198  1.00  0.00           O  
HETATM   48  O   UNL     1      10.047  -3.783   2.796  1.00  0.00           O  
HETATM   49  H   UNL     1     -10.096  -2.609   1.370  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.937  -3.874   0.896  1.00  0.00           H  
HETATM   51  H   UNL     1     -11.177  -2.822  -0.887  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.289  -5.207  -1.136  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.598  -4.797  -2.271  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.200  -3.709  -2.093  1.00  0.00           H  
HETATM   55  H   UNL     1     -12.056  -4.059   1.074  1.00  0.00           H  
HETATM   56  H   UNL     1     -12.266  -5.001  -0.422  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.957  -5.412   0.713  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.597  -1.602   1.447  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.774  -0.685  -1.200  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.009   1.725  -0.574  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.596   0.111  -0.449  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.468   1.835  -0.871  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.750   0.603  -1.936  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.384   2.337   1.365  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.632   0.619   1.761  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.011   1.339   1.902  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.661   0.646  -0.992  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.350   0.428   1.608  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.522  -1.016   0.715  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.276  -2.284   0.381  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.762  -3.116   0.808  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.500  -1.969   1.952  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.827  -0.458  -1.682  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.892  -2.218  -1.422  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.395  -1.299  -1.679  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.069   1.453   1.470  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.590   3.014  -0.951  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.380   4.313   1.694  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.686   5.187   0.308  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.244   3.527   0.205  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.836   6.550   0.315  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.395   5.721   0.093  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.503   5.545   1.623  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.017   3.705  -1.942  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.527   4.647  -1.989  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.968   5.476  -1.767  1.00  0.00           H  
HETATM   87  H   UNL     1       1.382   3.862   0.292  1.00  0.00           H  
HETATM   88  H   UNL     1       0.336   2.296   2.502  1.00  0.00           H  
HETATM   89  H   UNL     1       1.014   0.854   0.648  1.00  0.00           H  
HETATM   90  H   UNL     1       1.448   1.644  -0.887  1.00  0.00           H  
HETATM   91  H   UNL     1       3.407  -0.067  -0.182  1.00  0.00           H  
HETATM   92  H   UNL     1       5.550   1.727   0.664  1.00  0.00           H  
HETATM   93  H   UNL     1       6.339   0.199   2.451  1.00  0.00           H  
HETATM   94  H   UNL     1       4.714   0.825   2.818  1.00  0.00           H  
HETATM   95  H   UNL     1       4.911  -0.832   2.200  1.00  0.00           H  
HETATM   96  H   UNL     1       7.738   0.154   0.701  1.00  0.00           H  
HETATM   97  H   UNL     1       7.470  -2.027  -1.222  1.00  0.00           H  
HETATM   98  H   UNL     1       9.005   0.530  -1.864  1.00  0.00           H  
HETATM   99  H   UNL     1       9.129  -0.983  -2.793  1.00  0.00           H  
HETATM  100  H   UNL     1       6.532   0.541  -2.304  1.00  0.00           H  
HETATM  101  H   UNL     1       8.307   0.376  -4.782  1.00  0.00           H  
HETATM  102  H   UNL     1       6.722   1.182  -4.692  1.00  0.00           H  
HETATM  103  H   UNL     1       8.095   1.811  -3.751  1.00  0.00           H  
HETATM  104  H   UNL     1       7.241  -1.791  -4.141  1.00  0.00           H  
HETATM  105  H   UNL     1       6.271  -1.900  -2.653  1.00  0.00           H  
HETATM  106  H   UNL     1       5.657  -0.985  -4.051  1.00  0.00           H  
HETATM  107  H   UNL     1       9.910  -2.297  -0.871  1.00  0.00           H  
HETATM  108  H   UNL     1       9.671   0.076   0.785  1.00  0.00           H  
HETATM  109  H   UNL     1       8.427  -1.796   1.748  1.00  0.00           H  
HETATM  110  H   UNL     1       8.252  -3.261   0.752  1.00  0.00           H  
HETATM  111  H   UNL     1      10.864  -4.137   3.172  1.00  0.00           H  
CONECT    1    2    5   49   50                                       
CONECT    2    1    3    4   51                                       
CONECT    3    2   52   53   54                                       
CONECT    4    2   55   56   57                                       
CONECT    5    1    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    8   58    5                                            
CONECT    8    7    9   11   59                                       
CONECT    9    8   10   10   14                                       
CONECT   10    9    9                                                 
CONECT   11    8   12   13   60                                       
CONECT   12   11   61   62   63                                       
CONECT   13   11   64   65   66                                       
CONECT   14   15   67    9                                            
CONECT   15   14   16   18   68                                       
CONECT   16   15   17   17   21                                       
CONECT   17   16   16                                                 
CONECT   18   15   19   20   69                                       
CONECT   19   18   70   71   72                                       
CONECT   20   18   73   74   75                                       
CONECT   21   22   76   16                                            
CONECT   22   21   23   27   77                                       
CONECT   23   22   24   78   79                                       
CONECT   24   23   25   26   80                                       
CONECT   25   24   81   82   83                                       
CONECT   26   24   84   85   86                                       
CONECT   27   22   28   29   87                                       
CONECT   28   27   88                                                 
CONECT   29   27   30   89   90                                       
CONECT   30   29   31   31   32                                       
CONECT   31   30   30                                                 
CONECT   32   33   91   30                                            
CONECT   33   32   34   36   92                                       
CONECT   34   33   35   35   37                                       
CONECT   35   34   34                                                 
CONECT   36   33   93   94   95                                       
CONECT   37   38   96   34                                            
CONECT   38   37   39   43   97                                       
CONECT   39   38   40   98   99                                       
CONECT   40   39   41   42  100                                       
CONECT   41   40  101  102  103                                       
CONECT   42   40  104  105  106                                       
CONECT   43   38   44   45  107                                       
CONECT   44   43  108                                                 
CONECT   45   43   46  109  110                                       
CONECT   46   45   47   47   48                                       
CONECT   47   46   46                                                 
CONECT   48   46  111                                                 
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    4                                                      
CONECT   57    4                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   12                                                      
CONECT   63   12                                                      
CONECT   64   13                                                      
CONECT   65   13                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   15                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   19                                                      
CONECT   72   19                                                      
CONECT   73   20                                                      
CONECT   74   20                                                      
CONECT   75   20                                                      
CONECT   76   21                                                      
CONECT   77   22                                                      
CONECT   78   23                                                      
CONECT   79   23                                                      
CONECT   80   24                                                      
CONECT   81   25                                                      
CONECT   82   25                                                      
CONECT   83   25                                                      
CONECT   84   26                                                      
CONECT   85   26                                                      
CONECT   86   26                                                      
CONECT   87   27                                                      
CONECT   88   28                                                      
CONECT   89   29                                                      
CONECT   90   29                                                      
CONECT   91   32                                                      
CONECT   92   33                                                      
CONECT   93   36                                                      
CONECT   94   36                                                      
CONECT   95   36                                                      
CONECT   96   37                                                      
CONECT   97   38                                                      
CONECT   98   39                                                      
CONECT   99   39                                                      
CONECT  100   40                                                      
CONECT  101   41                                                      
CONECT  102   41                                                      
CONECT  103   41                                                      
CONECT  104   42                                                      
CONECT  105   42                                                      
CONECT  106   42                                                      
CONECT  107   43                                                      
CONECT  108   44                                                      
CONECT  109   45                                                      
CONECT  110   45                                                      
CONECT  111   48                                                      
MASTER        0    0    0    0    0    0    0    0  111    0  111    0
END
