COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.645   0.786   0.274  1.00  0.00           C  
HETATM    2  C   UNL     1      11.984   0.548   0.978  1.00  0.00           C  
HETATM    3  C   UNL     1      11.969  -1.817   0.183  1.00  0.00           C  
HETATM    4  C   UNL     1       9.826   1.808   1.064  1.00  0.00           C  
HETATM    5  N   UNL     1     -17.984   0.714   1.945  1.00  0.00           N1-
HETATM    6  N   UNL     1     -17.154   0.466   1.229  1.00  0.00           N1+
HETATM    7  N   UNL     1     -16.325   0.218   0.512  1.00  0.00           N  
HETATM    8  C   UNL     1     -15.061   0.331   0.896  1.00  0.00           C  
HETATM    9  C   UNL     1     -14.011   0.020  -0.003  1.00  0.00           C  
HETATM   10  C   UNL     1     -14.750   0.771   2.207  1.00  0.00           C  
HETATM   11  C   UNL     1     -13.447   0.886   2.598  1.00  0.00           C  
HETATM   12  C   UNL     1     -12.417   0.577   1.724  1.00  0.00           C  
HETATM   13  C   UNL     1     -12.695   0.146   0.419  1.00  0.00           C  
HETATM   14  C   UNL     1     -11.587  -0.182  -0.504  1.00  0.00           C  
HETATM   15  O   UNL     1     -11.829  -0.555  -1.635  1.00  0.00           O  
HETATM   16  N   UNL     1     -10.309  -0.065  -0.092  1.00  0.00           N  
HETATM   17  C   UNL     1      -9.212  -0.389  -1.007  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.875  -0.174  -0.295  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.728  -0.512  -1.250  1.00  0.00           C  
HETATM   20  N   UNL     1      -5.448  -0.306  -0.569  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.292  -0.543  -1.221  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.312  -0.928  -2.373  1.00  0.00           O  
HETATM   23  O   UNL     1      -3.115  -0.354  -0.595  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.911  -0.629  -1.358  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.465   0.642  -2.083  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.574   1.105  -3.030  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.183   1.724  -1.072  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.017   2.361  -1.088  1.00  0.00           C  
HETATM   29  C   UNL     1       0.937   2.122  -2.182  1.00  0.00           C  
HETATM   30  C   UNL     1       2.123   2.721  -2.173  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.802  -1.092  -0.411  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.248  -2.363   0.314  1.00  0.00           C  
HETATM   33  C   UNL     1       0.467  -1.382  -1.215  1.00  0.00           C  
HETATM   34  O   UNL     1       0.168  -2.310  -2.259  1.00  0.00           O  
HETATM   35  C   UNL     1       1.531  -1.979  -0.291  1.00  0.00           C  
HETATM   36  C   UNL     1       2.814  -2.229  -1.086  1.00  0.00           C  
HETATM   37  C   UNL     1       1.820  -1.004   0.851  1.00  0.00           C  
HETATM   38  C   UNL     1       2.683  -1.682   1.884  1.00  0.00           C  
HETATM   39  C   UNL     1       2.047  -2.510   2.971  1.00  0.00           C  
HETATM   40  C   UNL     1       3.986  -1.551   1.837  1.00  0.00           C  
HETATM   41  C   UNL     1       4.612  -0.599   0.852  1.00  0.00           C  
HETATM   42  C   UNL     1       5.680  -1.335   0.040  1.00  0.00           C  
HETATM   43  C   UNL     1       5.259   0.564   1.607  1.00  0.00           C  
HETATM   44  O   UNL     1       6.341   0.075   2.401  1.00  0.00           O  
HETATM   45  C   UNL     1       5.785   1.594   0.605  1.00  0.00           C  
HETATM   46  C   UNL     1       4.626   2.118  -0.244  1.00  0.00           C  
HETATM   47  C   UNL     1       6.422   2.739   1.349  1.00  0.00           C  
HETATM   48  C   UNL     1       7.677   3.044   1.132  1.00  0.00           C  
HETATM   49  C   UNL     1       8.541   2.132   0.299  1.00  0.00           C  
HETATM   50  O   UNL     1       8.870   2.781  -0.931  1.00  0.00           O  
HETATM   51  O   UNL     1       9.914  -0.471   0.200  1.00  0.00           O  
HETATM   52  C   UNL     1      10.586  -1.506  -0.347  1.00  0.00           C  
HETATM   53  O   UNL     1      10.097  -2.165  -1.233  1.00  0.00           O  
HETATM   54  C   UNL     1      11.862  -2.391   1.597  1.00  0.00           C  
HETATM   55  C   UNL     1      12.779  -0.515   0.213  1.00  0.00           C  
HETATM   56  O   UNL     1      13.014  -0.067  -1.123  1.00  0.00           O  
HETATM   57  C   UNL     1      12.781   1.854   1.014  1.00  0.00           C  
HETATM   58  H   UNL     1      10.826   1.162  -0.733  1.00  0.00           H  
HETATM   59  H   UNL     1      11.803   0.204   1.997  1.00  0.00           H  
HETATM   60  H   UNL     1      12.458  -2.539  -0.471  1.00  0.00           H  
HETATM   61  H   UNL     1       9.573   1.395   2.040  1.00  0.00           H  
HETATM   62  H   UNL     1      10.410   2.719   1.195  1.00  0.00           H  
HETATM   63  H   UNL     1     -14.232  -0.312  -1.006  1.00  0.00           H  
HETATM   64  H   UNL     1     -15.543   1.014   2.898  1.00  0.00           H  
HETATM   65  H   UNL     1     -13.217   1.222   3.598  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.392   0.673   2.049  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.116   0.233   0.811  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.294  -1.430  -1.318  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.266   0.258  -1.882  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.792   0.867   0.017  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.821  -0.821   0.581  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.811  -1.554  -1.562  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.782   0.134  -2.126  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.432   0.001   0.351  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.115  -1.411  -2.089  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.561   0.436  -2.655  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.256   2.011  -3.546  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.778   0.323  -3.760  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.478   1.312  -2.457  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.929   1.982  -0.335  1.00  0.00           H  
HETATM   81  H   UNL     1       0.230   3.054  -0.298  1.00  0.00           H  
HETATM   82  H   UNL     1       0.673   1.459  -2.993  1.00  0.00           H  
HETATM   83  H   UNL     1       2.823   2.545  -2.976  1.00  0.00           H  
HETATM   84  H   UNL     1       2.386   3.383  -1.362  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.598  -0.309   0.320  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.195  -2.179   0.822  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.374  -3.169  -0.409  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.493  -2.648   1.047  1.00  0.00           H  
HETATM   89  H   UNL     1       0.842  -0.455  -1.649  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.172  -3.159  -1.946  1.00  0.00           H  
HETATM   91  H   UNL     1       1.168  -2.922   0.119  1.00  0.00           H  
HETATM   92  H   UNL     1       3.233  -1.276  -1.408  1.00  0.00           H  
HETATM   93  H   UNL     1       3.536  -2.749  -0.456  1.00  0.00           H  
HETATM   94  H   UNL     1       2.587  -2.840  -1.959  1.00  0.00           H  
HETATM   95  H   UNL     1       2.341  -0.130   0.460  1.00  0.00           H  
HETATM   96  H   UNL     1       0.882  -0.692   1.310  1.00  0.00           H  
HETATM   97  H   UNL     1       1.956  -3.543   2.635  1.00  0.00           H  
HETATM   98  H   UNL     1       2.668  -2.473   3.866  1.00  0.00           H  
HETATM   99  H   UNL     1       1.058  -2.113   3.199  1.00  0.00           H  
HETATM  100  H   UNL     1       4.610  -2.126   2.505  1.00  0.00           H  
HETATM  101  H   UNL     1       3.845  -0.214   0.180  1.00  0.00           H  
HETATM  102  H   UNL     1       6.498  -1.628   0.697  1.00  0.00           H  
HETATM  103  H   UNL     1       5.242  -2.223  -0.415  1.00  0.00           H  
HETATM  104  H   UNL     1       6.059  -0.677  -0.742  1.00  0.00           H  
HETATM  105  H   UNL     1       4.517   1.034   2.254  1.00  0.00           H  
HETATM  106  H   UNL     1       7.040  -0.357   1.889  1.00  0.00           H  
HETATM  107  H   UNL     1       6.527   1.124  -0.042  1.00  0.00           H  
HETATM  108  H   UNL     1       3.885   2.588   0.403  1.00  0.00           H  
HETATM  109  H   UNL     1       5.001   2.851  -0.958  1.00  0.00           H  
HETATM  110  H   UNL     1       4.166   1.289  -0.782  1.00  0.00           H  
HETATM  111  H   UNL     1       5.843   3.309   2.061  1.00  0.00           H  
HETATM  112  H   UNL     1       8.093   3.949   1.551  1.00  0.00           H  
HETATM  113  H   UNL     1       8.000   1.210   0.090  1.00  0.00           H  
HETATM  114  H   UNL     1       9.286   3.647  -0.821  1.00  0.00           H  
HETATM  115  H   UNL     1      11.277  -3.311   1.572  1.00  0.00           H  
HETATM  116  H   UNL     1      12.860  -2.605   1.978  1.00  0.00           H  
HETATM  117  H   UNL     1      11.372  -1.666   2.247  1.00  0.00           H  
HETATM  118  H   UNL     1      13.731  -0.689   0.715  1.00  0.00           H  
HETATM  119  H   UNL     1      13.514  -0.692  -1.665  1.00  0.00           H  
HETATM  120  H   UNL     1      12.214   2.610   1.557  1.00  0.00           H  
HETATM  121  H   UNL     1      13.733   1.684   1.516  1.00  0.00           H  
HETATM  122  H   UNL     1      12.962   2.197  -0.004  1.00  0.00           H  
CONECT    1    4   51    2   58                                       
CONECT    2    1   57   55   59                                       
CONECT    3   52   55   54   60                                       
CONECT    4   49    1   61   62                                       
CONECT    5    6    6                                                 
CONECT    6    5    5    7    7                                       
CONECT    7    8    6    6                                            
CONECT    8   10   10    9    7                                       
CONECT    9   13   13    8   63                                       
CONECT   10   11    8    8   64                                       
CONECT   11   12   12   10   65                                       
CONECT   12   11   11   13   66                                       
CONECT   13   12   14    9    9                                       
CONECT   14   15   15   13   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   67                                            
CONECT   17   16   18   68   69                                       
CONECT   18   17   19   70   71                                       
CONECT   19   20   18   72   73                                       
CONECT   20   21   19   74                                            
CONECT   21   23   20   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   24   21                                                 
CONECT   24   25   23   31   75                                       
CONECT   25   27   26   24   76                                       
CONECT   26   25   77   78   79                                       
CONECT   27   28   28   25   80                                       
CONECT   28   29   27   27   81                                       
CONECT   29   30   30   28   82                                       
CONECT   30   29   29   83   84                                       
CONECT   31   24   33   32   85                                       
CONECT   32   31   86   87   88                                       
CONECT   33   35   31   34   89                                       
CONECT   34   33   90                                                 
CONECT   35   37   33   36   91                                       
CONECT   36   35   92   93   94                                       
CONECT   37   38   35   95   96                                       
CONECT   38   40   40   37   39                                       
CONECT   39   38   97   98   99                                       
CONECT   40   41   38   38  100                                       
CONECT   41   43   42   40  101                                       
CONECT   42   41  102  103  104                                       
CONECT   43   44   45   41  105                                       
CONECT   44   43  106                                                 
CONECT   45   46   47   43  107                                       
CONECT   46   45  108  109  110                                       
CONECT   47   45   48   48  111                                       
CONECT   48   47   47   49  112                                       
CONECT   49   50   48    4  113                                       
CONECT   50   49  114                                                 
CONECT   51    1   52                                                 
CONECT   52   51   53   53    3                                       
CONECT   53   52   52                                                 
CONECT   54    3  115  116  117                                       
CONECT   55   56    2    3  118                                       
CONECT   56   55  119                                                 
CONECT   57    2  120  121  122                                       
CONECT   58    1                                                      
CONECT   59    2                                                      
CONECT   60    3                                                      
CONECT   61    4                                                      
CONECT   62    4                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   12                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   26                                                      
CONECT   79   26                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   30                                                      
CONECT   85   31                                                      
CONECT   86   32                                                      
CONECT   87   32                                                      
CONECT   88   32                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   35                                                      
CONECT   92   36                                                      
CONECT   93   36                                                      
CONECT   94   36                                                      
CONECT   95   37                                                      
CONECT   96   37                                                      
CONECT   97   39                                                      
CONECT   98   39                                                      
CONECT   99   39                                                      
CONECT  100   40                                                      
CONECT  101   41                                                      
CONECT  102   42                                                      
CONECT  103   42                                                      
CONECT  104   42                                                      
CONECT  105   43                                                      
CONECT  106   44                                                      
CONECT  107   45                                                      
CONECT  108   46                                                      
CONECT  109   46                                                      
CONECT  110   46                                                      
CONECT  111   47                                                      
CONECT  112   48                                                      
CONECT  113   49                                                      
CONECT  114   50                                                      
CONECT  115   54                                                      
CONECT  116   54                                                      
CONECT  117   54                                                      
CONECT  118   55                                                      
CONECT  119   56                                                      
CONECT  120   57                                                      
CONECT  121   57                                                      
CONECT  122   57                                                      
MASTER        0    0    0    0    0    0    0    0  122    0  122    0
END
