COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.604   2.137   0.845  1.00  0.00           C  
HETATM    2  O   UNL     1      -1.401   0.723   0.811  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.666   0.131   0.509  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.566  -0.672  -0.787  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.875   0.143  -1.877  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.823   1.232  -2.385  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.501  -0.777  -3.045  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.030  -0.636  -3.339  1.00  0.00           C  
HETATM    9  C   UNL     1       0.413  -0.430  -4.600  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.461  -0.340  -5.655  1.00  0.00           N  
HETATM   11  C   UNL     1       0.045  -0.116  -7.011  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.127  -0.056  -7.992  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.618   0.167  -9.351  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.788   0.214 -10.238  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.024   1.511  -9.364  1.00  0.00           C  
HETATM   16  C   UNL     1       1.877  -0.302  -4.857  1.00  0.00           C  
HETATM   17  O   UNL     1       2.287  -0.165  -5.993  1.00  0.00           O  
HETATM   18  C   UNL     1       2.813  -0.340  -3.734  1.00  0.00           C  
HETATM   19  C   UNL     1       2.344  -0.516  -2.480  1.00  0.00           C  
HETATM   20  N   UNL     1       3.203  -0.527  -1.397  1.00  0.00           N  
HETATM   21  C   UNL     1       2.763  -0.123  -0.202  1.00  0.00           C  
HETATM   22  O   UNL     1       1.789   0.605  -0.147  1.00  0.00           O  
HETATM   23  C   UNL     1       3.374  -0.508   1.065  1.00  0.00           C  
HETATM   24  C   UNL     1       4.601  -1.372   1.100  1.00  0.00           C  
HETATM   25  C   UNL     1       2.790  -0.061   2.203  1.00  0.00           C  
HETATM   26  C   UNL     1       3.309  -0.363   3.528  1.00  0.00           C  
HETATM   27  C   UNL     1       2.663   0.035   4.626  1.00  0.00           C  
HETATM   28  C   UNL     1       1.372   0.805   4.557  1.00  0.00           C  
HETATM   29  O   UNL     1       1.501   1.994   5.344  1.00  0.00           O  
HETATM   30  C   UNL     1       1.999   3.013   4.474  1.00  0.00           C  
HETATM   31  C   UNL     1       0.230  -0.046   5.117  1.00  0.00           C  
HETATM   32  O   UNL     1       0.170   0.111   6.559  1.00  0.00           O  
HETATM   33  C   UNL     1      -0.275  -0.898   7.329  1.00  0.00           C  
HETATM   34  N   UNL     1      -0.331  -0.752   8.668  1.00  0.00           N  
HETATM   35  O   UNL     1      -0.627  -1.943   6.817  1.00  0.00           O  
HETATM   36  C   UNL     1      -1.081   0.393   4.508  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.671   1.721   4.906  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.676  -0.397   3.651  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.984  -0.058   2.990  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.144  -0.516   3.882  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.075  -0.801   1.652  1.00  0.00           C  
HETATM   42  O   UNL     1      -4.419  -1.241   1.447  1.00  0.00           O  
HETATM   43  C   UNL     1       0.891  -0.742  -2.264  1.00  0.00           C  
HETATM   44  O   UNL     1       0.477  -1.055  -1.164  1.00  0.00           O  
HETATM   45  H   UNL     1      -0.687   2.628   1.170  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.872   2.489  -0.150  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.409   2.372   1.541  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.417   0.913   0.402  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.994  -1.583  -0.599  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.568  -0.947  -1.120  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.974   0.606  -1.481  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.327   1.812  -3.163  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.722   0.770  -2.795  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.097   1.890  -1.560  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.719  -1.811  -2.769  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.098  -0.506  -3.912  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.416  -0.424  -5.503  1.00  0.00           H  
HETATM   58  H   UNL     1       0.594   0.824  -7.043  1.00  0.00           H  
HETATM   59  H   UNL     1       0.710  -0.934  -7.290  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.676  -0.997  -7.960  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.791   0.761  -7.713  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.460   0.380 -11.264  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.328  -0.729 -10.177  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.444   1.029  -9.930  1.00  0.00           H  
HETATM   65  H   UNL     1       0.369   1.725 -10.357  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.786   2.247  -9.109  1.00  0.00           H  
HETATM   67  H   UNL     1       0.784   1.558  -8.634  1.00  0.00           H  
HETATM   68  H   UNL     1       3.874  -0.231  -3.902  1.00  0.00           H  
HETATM   69  H   UNL     1       4.129  -0.821  -1.522  1.00  0.00           H  
HETATM   70  H   UNL     1       4.897  -1.543   2.135  1.00  0.00           H  
HETATM   71  H   UNL     1       4.386  -2.328   0.621  1.00  0.00           H  
HETATM   72  H   UNL     1       5.412  -0.874   0.568  1.00  0.00           H  
HETATM   73  H   UNL     1       1.901   0.551   2.098  1.00  0.00           H  
HETATM   74  H   UNL     1       4.233  -0.916   3.652  1.00  0.00           H  
HETATM   75  H   UNL     1       3.083  -0.206   5.595  1.00  0.00           H  
HETATM   76  H   UNL     1       1.146   1.082   3.532  1.00  0.00           H  
HETATM   77  H   UNL     1       2.115   3.942   5.031  1.00  0.00           H  
HETATM   78  H   UNL     1       2.966   2.707   4.073  1.00  0.00           H  
HETATM   79  H   UNL     1       1.298   3.166   3.654  1.00  0.00           H  
HETATM   80  H   UNL     1       0.407  -1.094   4.873  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.652  -1.480   9.222  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.050   0.081   9.076  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.610   1.876   4.374  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.856   1.730   5.980  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.974   2.519   4.651  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.199  -1.345   3.409  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.065   1.009   2.805  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.083  -0.011   4.846  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.091  -0.271   3.402  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.082  -1.594   4.033  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.409  -1.663   1.670  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.636  -1.829   2.184  1.00  0.00           H  
CONECT    1    2   45   46   47                                       
CONECT    2    1    3                                                 
CONECT    3    2    4   41   48                                       
CONECT    4    3    5   49   50                                       
CONECT    5    4    6    7   51                                       
CONECT    6    5   52   53   54                                       
CONECT    7    5    8   55   56                                       
CONECT    8    7    9    9   43                                       
CONECT    9    8    8   10   16                                       
CONECT   10    9   11   57                                            
CONECT   11   10   12   58   59                                       
CONECT   12   11   13   60   61                                       
CONECT   13   12   14   15                                            
CONECT   14   13   62   63   64                                       
CONECT   15   13   65   66   67                                       
CONECT   16    9   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   19   68                                       
CONECT   19   18   18   20   43                                       
CONECT   20   19   21   69                                            
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   25   25                                       
CONECT   24   23   70   71   72                                       
CONECT   25   23   23   26   73                                       
CONECT   26   25   27   27   74                                       
CONECT   27   26   26   28   75                                       
CONECT   28   27   29   31   76                                       
CONECT   29   28   30                                                 
CONECT   30   29   77   78   79                                       
CONECT   31   28   32   36   80                                       
CONECT   32   31   33                                                 
CONECT   33   32   34   35   35                                       
CONECT   34   33   81   82                                            
CONECT   35   33   33                                                 
CONECT   36   31   37   38   38                                       
CONECT   37   36   83   84   85                                       
CONECT   38   36   36   39   86                                       
CONECT   39   38   40   41   87                                       
CONECT   40   39   88   89   90                                       
CONECT   41    3   39   42   91                                       
CONECT   42   41   92                                                 
CONECT   43    8   19   44   44                                       
CONECT   44   43   43                                                 
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   15                                                      
CONECT   67   15                                                      
CONECT   68   18                                                      
CONECT   69   20                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   37                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   40                                                      
CONECT   90   40                                                      
CONECT   91   41                                                      
CONECT   92   42                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
