COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.909  -0.215   0.760  1.00  0.00           C  
HETATM    2  C   UNL     1       8.997  -2.231   0.832  1.00  0.00           C  
HETATM    3  C   UNL     1      10.194  -1.574   1.078  1.00  0.00           C  
HETATM    4  C   UNL     1       6.660   0.563   0.588  1.00  0.00           C  
HETATM    5  C   UNL     1       9.112   0.442   1.012  1.00  0.00           C  
HETATM    6  O   UNL     1       6.683   1.775   0.667  1.00  0.00           O  
HETATM    7  N   UNL     1       7.884  -1.543   0.679  1.00  0.00           N  
HETATM    8  N   UNL     1      10.223  -0.256   1.165  1.00  0.00           N  
HETATM    9  N   UNL     1       5.497  -0.074   0.344  1.00  0.00           N  
HETATM   10  C   UNL     1       4.262   0.695   0.174  1.00  0.00           C  
HETATM   11  C   UNL     1       3.079  -0.171   0.523  1.00  0.00           C  
HETATM   12  O   UNL     1       3.251  -1.318   0.879  1.00  0.00           O  
HETATM   13  C   UNL     1       4.145   1.157  -1.280  1.00  0.00           C  
HETATM   14  C   UNL     1       4.116  -0.064  -2.202  1.00  0.00           C  
HETATM   15  C   UNL     1       3.999   0.398  -3.656  1.00  0.00           C  
HETATM   16  C   UNL     1       5.200   1.277  -4.010  1.00  0.00           C  
HETATM   17  C   UNL     1       5.228   2.498  -3.088  1.00  0.00           C  
HETATM   18  C   UNL     1       5.346   2.036  -1.634  1.00  0.00           C  
HETATM   19  N   UNL     1       1.830   0.329   0.440  1.00  0.00           N  
HETATM   20  C   UNL     1       0.680  -0.513   0.779  1.00  0.00           C  
HETATM   21  C   UNL     1       0.441  -0.465   2.290  1.00  0.00           C  
HETATM   22  C   UNL     1       0.261   0.989   2.732  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.819  -1.262   2.632  1.00  0.00           C  
HETATM   24  C   UNL     1       1.643  -1.073   3.016  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.544  -0.005   0.061  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.698   1.186  -0.106  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.562   0.313  -0.045  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.466  -0.875  -0.396  1.00  0.00           N  
HETATM   29  O   UNL     1      -3.292   0.305   1.138  1.00  0.00           O  
HETATM   30  C   UNL     1      -2.752  -0.515  -1.008  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.500  -1.823  -1.331  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.803  -2.867  -0.404  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.093  -2.283  -2.749  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.057  -3.821  -2.672  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.348  -2.343  -0.370  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.847  -4.184  -1.194  1.00  0.00           C  
HETATM   37  N   UNL     1      -7.759  -0.009   0.694  1.00  0.00           N  
HETATM   38  N   UNL     1      -4.588   1.062  -0.496  1.00  0.00           N  
HETATM   39  C   UNL     1      -5.376   1.866   0.441  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.773   2.101  -0.138  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.684   3.212   0.665  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.339   2.985   1.358  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.647   4.331   1.582  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.454   0.775  -0.359  1.00  0.00           C  
HETATM   45  C   UNL     1      -8.422  -1.298   0.479  1.00  0.00           C  
HETATM   46  C   UNL     1      -8.232  -2.376   1.548  1.00  0.00           C  
HETATM   47  C   UNL     1      -9.578  -1.661   1.413  1.00  0.00           C  
HETATM   48  O   UNL     1      -6.662   2.793  -1.384  1.00  0.00           O  
HETATM   49  O   UNL     1      -7.729   0.414  -1.484  1.00  0.00           O  
HETATM   50  H   UNL     1       9.136   1.519   1.083  1.00  0.00           H  
HETATM   51  H   UNL     1       8.977  -3.309   0.766  1.00  0.00           H  
HETATM   52  H   UNL     1      11.104  -2.142   1.203  1.00  0.00           H  
HETATM   53  H   UNL     1       5.478  -1.042   0.281  1.00  0.00           H  
HETATM   54  H   UNL     1       4.282   1.564   0.831  1.00  0.00           H  
HETATM   55  H   UNL     1       3.226   1.729  -1.406  1.00  0.00           H  
HETATM   56  H   UNL     1       5.035  -0.636  -2.076  1.00  0.00           H  
HETATM   57  H   UNL     1       3.261  -0.690  -1.950  1.00  0.00           H  
HETATM   58  H   UNL     1       3.979  -0.471  -4.313  1.00  0.00           H  
HETATM   59  H   UNL     1       3.080   0.970  -3.782  1.00  0.00           H  
HETATM   60  H   UNL     1       6.119   0.705  -3.884  1.00  0.00           H  
HETATM   61  H   UNL     1       5.116   1.606  -5.046  1.00  0.00           H  
HETATM   62  H   UNL     1       6.084   3.124  -3.341  1.00  0.00           H  
HETATM   63  H   UNL     1       4.309   3.070  -3.214  1.00  0.00           H  
HETATM   64  H   UNL     1       5.366   2.905  -0.977  1.00  0.00           H  
HETATM   65  H   UNL     1       6.265   1.464  -1.508  1.00  0.00           H  
HETATM   66  H   UNL     1       1.693   1.246   0.156  1.00  0.00           H  
HETATM   67  H   UNL     1       0.880  -1.540   0.475  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.595   1.422   2.215  1.00  0.00           H  
HETATM   69  H   UNL     1       0.090   1.023   3.808  1.00  0.00           H  
HETATM   70  H   UNL     1       1.158   1.557   2.488  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.660  -2.314   2.394  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.036  -1.160   3.695  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.659  -0.881   2.052  1.00  0.00           H  
HETATM   74  H   UNL     1       2.540  -0.505   2.772  1.00  0.00           H  
HETATM   75  H   UNL     1       1.472  -1.039   4.092  1.00  0.00           H  
HETATM   76  H   UNL     1       1.771  -2.109   2.701  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.579   0.049  -1.925  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.578  -1.749  -1.193  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.266  -2.945   0.580  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.834  -1.957  -3.480  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.109  -1.891  -3.007  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.000  -4.235  -3.028  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.232  -4.205  -3.272  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.797  -2.693  -1.243  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.852  -2.665   0.545  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.906  -4.721  -1.073  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.675  -4.800  -0.842  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.540   0.280   1.594  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.804   1.068  -1.442  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.460   1.339   1.391  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.359   2.700   0.559  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.519   3.701  -0.296  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.313   3.845   1.291  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.503   2.497   2.319  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.710   2.353   0.732  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.276   4.964   2.208  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.689   4.169   2.076  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.482   4.819   0.621  1.00  0.00           H  
HETATM   99  H   UNL     1      -8.491  -1.624  -0.558  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.176  -3.412   1.213  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.613  -2.127   2.410  1.00  0.00           H  
HETATM  102  H   UNL     1      -9.846  -0.942   2.186  1.00  0.00           H  
HETATM  103  H   UNL     1     -10.408  -2.227   0.989  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.152   2.318  -2.054  1.00  0.00           H  
CONECT    1    7    4    5    5                                       
CONECT    2    7    7    3   51                                       
CONECT    3    8    8    2   52                                       
CONECT    4    9    1    6    6                                       
CONECT    5    8    1    1   50                                       
CONECT    6    4    4                                                 
CONECT    7    2    2    1                                            
CONECT    8    3    3    5                                            
CONECT    9    4   10   53                                            
CONECT   10    9   11   13   54                                       
CONECT   11   19   12   12   10                                       
CONECT   12   11   11                                                 
CONECT   13   10   18   14   55                                       
CONECT   14   13   15   56   57                                       
CONECT   15   14   16   58   59                                       
CONECT   16   15   17   60   61                                       
CONECT   17   16   18   62   63                                       
CONECT   18   13   17   64   65                                       
CONECT   19   20   11   66                                            
CONECT   20   19   25   21   67                                       
CONECT   21   20   24   23   22                                       
CONECT   22   21   68   69   70                                       
CONECT   23   21   71   72   73                                       
CONECT   24   21   74   75   76                                       
CONECT   25   28   20   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   29   29   30   38                                       
CONECT   28   35   25   30                                            
CONECT   29   27   27                                                 
CONECT   30   27   28   31   77                                       
CONECT   31   30   32   33   78                                       
CONECT   32   31   35   36   79                                       
CONECT   33   31   34   80   81                                       
CONECT   34   33   36   82   83                                       
CONECT   35   28   32   84   85                                       
CONECT   36   32   34   86   87                                       
CONECT   37   45   44   88                                            
CONECT   38   27   39   89                                            
CONECT   39   38   40   41   90                                       
CONECT   40   39   44   48   91                                       
CONECT   41   39   42   92   93                                       
CONECT   42   41   43   94   95                                       
CONECT   43   42   96   97   98                                       
CONECT   44   37   40   49   49                                       
CONECT   45   37   47   46   99                                       
CONECT   46   45   47  100  101                                       
CONECT   47   45   46  102  103                                       
CONECT   48   40  104                                                 
CONECT   49   44   44                                                 
CONECT   50    5                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   24                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   35                                                      
CONECT   86   36                                                      
CONECT   87   36                                                      
CONECT   88   37                                                      
CONECT   89   38                                                      
CONECT   90   39                                                      
CONECT   91   40                                                      
CONECT   92   41                                                      
CONECT   93   41                                                      
CONECT   94   42                                                      
CONECT   95   42                                                      
CONECT   96   43                                                      
CONECT   97   43                                                      
CONECT   98   43                                                      
CONECT   99   45                                                      
CONECT  100   46                                                      
CONECT  101   46                                                      
CONECT  102   47                                                      
CONECT  103   47                                                      
CONECT  104   48                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
