COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.420  -1.749  -0.548  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.812  -1.033   0.352  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.493  -1.623   1.524  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.688  -3.003   1.599  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.324  -3.548   2.696  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.769  -2.729   3.718  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.580  -1.360   3.649  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.939  -0.803   2.562  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.621   0.300   0.284  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.941   0.884  -0.874  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.939   1.117  -1.979  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.592   0.856  -3.291  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.508   1.070  -4.304  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.771   1.545  -4.005  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.119   1.806  -2.693  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.205   1.586  -1.679  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.304   2.217  -0.473  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.320   3.111  -0.016  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.305   1.984   0.631  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.496   2.455   1.727  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.204   1.253   0.397  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.265   1.066   1.533  1.00  0.00           C  
HETATM   23  C   UNL     1       0.426  -0.221   1.278  1.00  0.00           C  
HETATM   24  C   UNL     1       0.720   2.249   1.434  1.00  0.00           C  
HETATM   25  C   UNL     1       0.367   3.541   0.707  1.00  0.00           C  
HETATM   26  C   UNL     1       1.849   2.116   2.166  1.00  0.00           C  
HETATM   27  C   UNL     1       2.065   0.815   2.898  1.00  0.00           C  
HETATM   28  C   UNL     1       3.449   0.678   3.529  1.00  0.00           C  
HETATM   29  C   UNL     1       1.054   0.756   4.030  1.00  0.00           C  
HETATM   30  C   UNL     1       1.861  -0.292   1.950  1.00  0.00           C  
HETATM   31  O   UNL     1       1.886  -1.472   2.708  1.00  0.00           O  
HETATM   32  C   UNL     1       2.882   3.290   2.000  1.00  0.00           C  
HETATM   33  O   UNL     1       3.946   3.223   2.986  1.00  0.00           O  
HETATM   34  C   UNL     1       3.454   3.157   0.626  1.00  0.00           C  
HETATM   35  O   UNL     1       3.446   4.233  -0.095  1.00  0.00           O  
HETATM   36  C   UNL     1       3.887   1.874   0.039  1.00  0.00           C  
HETATM   37  C   UNL     1       5.080   1.399   1.015  1.00  0.00           C  
HETATM   38  C   UNL     1       4.729   2.178  -1.206  1.00  0.00           C  
HETATM   39  O   UNL     1       5.636   1.165  -1.517  1.00  0.00           O  
HETATM   40  C   UNL     1       3.779   2.454  -2.390  1.00  0.00           C  
HETATM   41  C   UNL     1       3.077   1.195  -2.789  1.00  0.00           C  
HETATM   42  O   UNL     1       3.919   0.088  -3.178  1.00  0.00           O  
HETATM   43  C   UNL     1       3.626  -0.677  -2.069  1.00  0.00           C  
HETATM   44  C   UNL     1       2.624   0.377  -1.546  1.00  0.00           C  
HETATM   45  O   UNL     1       1.207  -0.108  -1.673  1.00  0.00           O  
HETATM   46  C   UNL     1       0.832  -0.590  -2.868  1.00  0.00           C  
HETATM   47  C   UNL     1      -0.573  -1.094  -3.070  1.00  0.00           C  
HETATM   48  O   UNL     1       1.622  -0.619  -3.782  1.00  0.00           O  
HETATM   49  C   UNL     1       2.955   0.831  -0.169  1.00  0.00           C  
HETATM   50  C   UNL     1       2.977  -0.422   0.813  1.00  0.00           C  
HETATM   51  O   UNL     1       2.664  -1.606   0.086  1.00  0.00           O  
HETATM   52  C   UNL     1       3.218  -2.755   0.522  1.00  0.00           C  
HETATM   53  O   UNL     1       3.947  -2.747   1.494  1.00  0.00           O  
HETATM   54  C   UNL     1       2.939  -4.023  -0.183  1.00  0.00           C  
HETATM   55  C   UNL     1       2.107  -4.034  -1.304  1.00  0.00           C  
HETATM   56  C   UNL     1       1.850  -5.222  -1.957  1.00  0.00           C  
HETATM   57  C   UNL     1       2.416  -6.400  -1.503  1.00  0.00           C  
HETATM   58  C   UNL     1       3.242  -6.396  -0.393  1.00  0.00           C  
HETATM   59  C   UNL     1       3.511  -5.215   0.266  1.00  0.00           C  
HETATM   60  H   UNL     1      -5.341  -3.643   0.802  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.475  -4.615   2.756  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.267  -3.160   4.574  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.931  -0.726   4.450  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.788   0.265   2.511  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.934   0.872   1.002  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.166   0.202  -1.223  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.605   0.486  -3.525  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.236   0.867  -5.329  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.486   1.712  -4.796  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.107   2.172  -2.458  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.476   1.789  -0.654  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.798   2.651  -1.335  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.813   2.788   0.751  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.877   1.173   2.371  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.117  -1.009   1.767  1.00  0.00           H  
HETATM   76  H   UNL     1       0.514  -0.533   0.278  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.643   3.466   0.302  1.00  0.00           H  
HETATM   78  H   UNL     1       0.417   4.377   1.405  1.00  0.00           H  
HETATM   79  H   UNL     1       1.073   3.705  -0.107  1.00  0.00           H  
HETATM   80  H   UNL     1       4.185   0.475   2.751  1.00  0.00           H  
HETATM   81  H   UNL     1       3.708   1.605   4.041  1.00  0.00           H  
HETATM   82  H   UNL     1       3.442  -0.143   4.246  1.00  0.00           H  
HETATM   83  H   UNL     1       1.251  -0.121   4.648  1.00  0.00           H  
HETATM   84  H   UNL     1       1.138   1.656   4.640  1.00  0.00           H  
HETATM   85  H   UNL     1       0.048   0.690   3.616  1.00  0.00           H  
HETATM   86  H   UNL     1       1.761  -2.276   2.187  1.00  0.00           H  
HETATM   87  H   UNL     1       2.311   4.196   2.109  1.00  0.00           H  
HETATM   88  H   UNL     1       4.598   3.932   2.909  1.00  0.00           H  
HETATM   89  H   UNL     1       4.810   1.614   2.049  1.00  0.00           H  
HETATM   90  H   UNL     1       5.241   0.328   0.897  1.00  0.00           H  
HETATM   91  H   UNL     1       5.994   1.935   0.759  1.00  0.00           H  
HETATM   92  H   UNL     1       5.341   3.084  -0.997  1.00  0.00           H  
HETATM   93  H   UNL     1       6.173   1.345  -2.300  1.00  0.00           H  
HETATM   94  H   UNL     1       3.057   3.229  -2.173  1.00  0.00           H  
HETATM   95  H   UNL     1       4.397   2.774  -3.259  1.00  0.00           H  
HETATM   96  H   UNL     1       2.268   1.393  -3.387  1.00  0.00           H  
HETATM   97  H   UNL     1       3.123  -1.592  -2.382  1.00  0.00           H  
HETATM   98  H   UNL     1       4.426  -0.867  -1.466  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.209  -0.274  -3.406  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.572  -1.883  -3.822  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.957  -1.488  -2.130  1.00  0.00           H  
HETATM  102  H   UNL     1       1.985   1.330   0.092  1.00  0.00           H  
HETATM  103  H   UNL     1       3.940  -0.617   1.276  1.00  0.00           H  
HETATM  104  H   UNL     1       1.664  -3.115  -1.658  1.00  0.00           H  
HETATM  105  H   UNL     1       1.207  -5.232  -2.823  1.00  0.00           H  
HETATM  106  H   UNL     1       2.212  -7.327  -2.018  1.00  0.00           H  
HETATM  107  H   UNL     1       3.681  -7.320  -0.044  1.00  0.00           H  
HETATM  108  H   UNL     1       4.160  -5.212   1.130  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    9    3                                       
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5   60                                       
CONECT    5    4    6    6   61                                       
CONECT    6    5    5    7   62                                       
CONECT    7    8    8    6   63                                       
CONECT    8    3    7    7   64                                       
CONECT    9   10    2   65                                            
CONECT   10   11   17    9   66                                       
CONECT   11   16   10   12   12                                       
CONECT   12   11   11   13   67                                       
CONECT   13   14   14   12   68                                       
CONECT   14   15   13   13   69                                       
CONECT   15   16   16   14   70                                       
CONECT   16   15   15   11   71                                       
CONECT   17   19   10   18   72                                       
CONECT   18   17   73                                                 
CONECT   19   20   20   21   17                                       
CONECT   20   19   19                                                 
CONECT   21   22   19                                                 
CONECT   22   23   24   21   74                                       
CONECT   23   30   22   75   76                                       
CONECT   24   26   26   22   25                                       
CONECT   25   24   77   78   79                                       
CONECT   26   27   24   24   32                                       
CONECT   27   29   28   30   26                                       
CONECT   28   27   80   81   82                                       
CONECT   29   27   83   84   85                                       
CONECT   30   31   27   23   50                                       
CONECT   31   30   86                                                 
CONECT   32   33   26   34   87                                       
CONECT   33   32   88                                                 
CONECT   34   32   35   35   36                                       
CONECT   35   34   34                                                 
CONECT   36   34   49   37   38                                       
CONECT   37   36   89   90   91                                       
CONECT   38   36   39   40   92                                       
CONECT   39   38   93                                                 
CONECT   40   38   41   94   95                                       
CONECT   41   44   42   40   96                                       
CONECT   42   43   41                                                 
CONECT   43   44   42   97   98                                       
CONECT   44   49   43   45   41                                       
CONECT   45   44   46                                                 
CONECT   46   45   48   48   47                                       
CONECT   47   46   99  100  101                                       
CONECT   48   46   46                                                 
CONECT   49   50   36   44  102                                       
CONECT   50   30   51   49  103                                       
CONECT   51   50   52                                                 
CONECT   52   53   53   51   54                                       
CONECT   53   52   52                                                 
CONECT   54   52   55   55   59                                       
CONECT   55   54   54   56  104                                       
CONECT   56   55   57   57  105                                       
CONECT   57   56   56   58  106                                       
CONECT   58   59   59   57  107                                       
CONECT   59   54   58   58  108                                       
CONECT   60    4                                                      
CONECT   61    5                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    8                                                      
CONECT   65    9                                                      
CONECT   66   10                                                      
CONECT   67   12                                                      
CONECT   68   13                                                      
CONECT   69   14                                                      
CONECT   70   15                                                      
CONECT   71   16                                                      
CONECT   72   17                                                      
CONECT   73   18                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   23                                                      
CONECT   77   25                                                      
CONECT   78   25                                                      
CONECT   79   25                                                      
CONECT   80   28                                                      
CONECT   81   28                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   29                                                      
CONECT   85   29                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   33                                                      
CONECT   89   37                                                      
CONECT   90   37                                                      
CONECT   91   37                                                      
CONECT   92   38                                                      
CONECT   93   39                                                      
CONECT   94   40                                                      
CONECT   95   40                                                      
CONECT   96   41                                                      
CONECT   97   43                                                      
CONECT   98   43                                                      
CONECT   99   47                                                      
CONECT  100   47                                                      
CONECT  101   47                                                      
CONECT  102   49                                                      
CONECT  103   50                                                      
CONECT  104   55                                                      
CONECT  105   56                                                      
CONECT  106   57                                                      
CONECT  107   58                                                      
CONECT  108   59                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
