COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -10.199  -1.633   1.363  1.00  0.00           C  
HETATM    2  O   UNL     1     -11.144  -1.785   2.108  1.00  0.00           O  
HETATM    3  N   UNL     1      -9.834  -0.394   0.981  1.00  0.00           N  
HETATM    4  C   UNL     1      -8.714  -0.067   0.086  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.423  -0.575   0.675  1.00  0.00           C  
HETATM    6  O   UNL     1      -7.360  -0.845   1.856  1.00  0.00           O  
HETATM    7  C   UNL     1      -8.663   1.470  -0.043  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.403   1.950   1.233  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.496   0.860   1.386  1.00  0.00           C  
HETATM   10  N   UNL     1      -6.339  -0.730  -0.111  1.00  0.00           N  
HETATM   11  C   UNL     1      -5.084  -1.223   0.462  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.927  -0.748  -0.379  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.127  -0.302  -1.489  1.00  0.00           O  
HETATM   14  C   UNL     1      -5.102  -2.753   0.487  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.179  -3.234   1.461  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.408  -3.283  -0.915  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.670  -0.819   0.102  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.559  -0.248  -0.664  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.278  -0.946  -0.287  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.292  -1.834   0.540  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.438   1.244  -0.350  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.670   1.962  -0.839  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.760   2.110  -0.002  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.706   2.476  -2.122  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.890   2.768  -0.447  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.833   3.135  -2.572  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.931   3.279  -1.736  1.00  0.00           C  
HETATM   28  O   UNL     1      -6.042   3.926  -2.177  1.00  0.00           O  
HETATM   29  N   UNL     1       0.883  -0.585  -0.868  1.00  0.00           N  
HETATM   30  C   UNL     1       2.128  -1.263  -0.502  1.00  0.00           C  
HETATM   31  C   UNL     1       2.278  -2.538  -1.334  1.00  0.00           C  
HETATM   32  C   UNL     1       2.413  -2.169  -2.813  1.00  0.00           C  
HETATM   33  C   UNL     1       3.527  -3.298  -0.883  1.00  0.00           C  
HETATM   34  C   UNL     1       1.045  -3.423  -1.140  1.00  0.00           C  
HETATM   35  C   UNL     1       3.296  -0.349  -0.769  1.00  0.00           C  
HETATM   36  O   UNL     1       3.138   0.663  -1.419  1.00  0.00           O  
HETATM   37  N   UNL     1       4.516  -0.655  -0.285  1.00  0.00           N  
HETATM   38  C   UNL     1       5.630   0.280  -0.461  1.00  0.00           C  
HETATM   39  C   UNL     1       6.932  -0.476  -0.419  1.00  0.00           C  
HETATM   40  O   UNL     1       6.931  -1.678  -0.258  1.00  0.00           O  
HETATM   41  C   UNL     1       5.606   1.319   0.662  1.00  0.00           C  
HETATM   42  C   UNL     1       4.340   2.170   0.544  1.00  0.00           C  
HETATM   43  C   UNL     1       4.317   3.192   1.651  1.00  0.00           C  
HETATM   44  O   UNL     1       5.223   3.236   2.455  1.00  0.00           O  
HETATM   45  N   UNL     1       3.288   4.058   1.747  1.00  0.00           N  
HETATM   46  O   UNL     1       9.368  -0.829   2.170  1.00  0.00           O  
HETATM   47  P   UNL     1      10.189  -0.256   1.080  1.00  0.00           P  
HETATM   48  O   UNL     1      11.638  -0.956   1.076  1.00  0.00           O  
HETATM   49  C   UNL     1       9.366  -0.552  -0.520  1.00  0.00           C  
HETATM   50  C   UNL     1      10.271  -0.071  -1.655  1.00  0.00           C  
HETATM   51  N   UNL     1       8.099   0.184  -0.561  1.00  0.00           N  
HETATM   52  O   UNL     1      10.358   1.328   1.312  1.00  0.00           O  
HETATM   53  H   UNL     1      -9.647  -2.492   1.010  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.878  -0.519  -0.892  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.632   1.822  -0.047  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.188   1.799  -0.940  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.733   1.959   2.093  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.852   2.932   1.079  1.00  0.00           H  
HETATM   59  H   UNL     1     -11.341   1.072   0.730  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.826   0.797   2.423  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.390  -0.514  -1.055  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.974  -0.844   1.478  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.128  -3.122   0.810  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.159  -2.919   1.104  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.149  -4.322   1.528  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.996  -2.805   2.446  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.641  -2.940  -1.609  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.421  -4.372  -0.897  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.382  -2.913  -1.238  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.501  -1.249   0.955  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.746  -0.382  -1.729  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.340   1.383   0.727  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.559   1.650  -0.850  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.728   1.712   1.002  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.851   2.362  -2.773  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.742   2.883   0.207  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.861   3.536  -3.574  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.034   4.879  -2.011  1.00  0.00           H  
HETATM   79  H   UNL     1       0.893   0.125  -1.530  1.00  0.00           H  
HETATM   80  H   UNL     1       2.104  -1.521   0.557  1.00  0.00           H  
HETATM   81  H   UNL     1       3.291  -1.539  -2.952  1.00  0.00           H  
HETATM   82  H   UNL     1       2.519  -3.078  -3.406  1.00  0.00           H  
HETATM   83  H   UNL     1       1.523  -1.628  -3.135  1.00  0.00           H  
HETATM   84  H   UNL     1       3.420  -3.585   0.163  1.00  0.00           H  
HETATM   85  H   UNL     1       3.649  -4.193  -1.494  1.00  0.00           H  
HETATM   86  H   UNL     1       4.402  -2.659  -0.997  1.00  0.00           H  
HETATM   87  H   UNL     1       0.155  -2.881  -1.461  1.00  0.00           H  
HETATM   88  H   UNL     1       1.152  -4.331  -1.733  1.00  0.00           H  
HETATM   89  H   UNL     1       0.949  -3.685  -0.086  1.00  0.00           H  
HETATM   90  H   UNL     1       4.657  -1.495   0.179  1.00  0.00           H  
HETATM   91  H   UNL     1       5.533   0.784  -1.423  1.00  0.00           H  
HETATM   92  H   UNL     1       5.613   0.811   1.627  1.00  0.00           H  
HETATM   93  H   UNL     1       6.484   1.960   0.583  1.00  0.00           H  
HETATM   94  H   UNL     1       4.333   2.678  -0.421  1.00  0.00           H  
HETATM   95  H   UNL     1       3.462   1.528   0.623  1.00  0.00           H  
HETATM   96  H   UNL     1       2.563   4.023   1.103  1.00  0.00           H  
HETATM   97  H   UNL     1       3.273   4.716   2.459  1.00  0.00           H  
HETATM   98  H   UNL     1      12.134  -0.839   1.898  1.00  0.00           H  
HETATM   99  H   UNL     1       9.171  -1.618  -0.636  1.00  0.00           H  
HETATM  100  H   UNL     1      10.466   0.995  -1.538  1.00  0.00           H  
HETATM  101  H   UNL     1      11.214  -0.618  -1.625  1.00  0.00           H  
HETATM  102  H   UNL     1       9.780  -0.248  -2.612  1.00  0.00           H  
HETATM  103  H   UNL     1       8.101   1.145  -0.689  1.00  0.00           H  
HETATM  104  H   UNL     1      10.886   1.771   0.633  1.00  0.00           H  
CONECT    1    2    2   53    3                                       
CONECT    2    1    1                                                 
CONECT    3    4    9    1                                            
CONECT    4    3    5    7   54                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5                                                 
CONECT    7    4    8   55   56                                       
CONECT    8    7    9   57   58                                       
CONECT    9    3    8   59   60                                       
CONECT   10   11   61    5                                            
CONECT   11   10   12   14   62                                       
CONECT   12   11   13   13   17                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   16   63                                       
CONECT   15   14   64   65   66                                       
CONECT   16   14   67   68   69                                       
CONECT   17   18   70   12                                            
CONECT   18   17   19   21   71                                       
CONECT   19   18   20   20   29                                       
CONECT   20   19   19                                                 
CONECT   21   18   22   72   73                                       
CONECT   22   21   23   23   24                                       
CONECT   23   22   22   25   74                                       
CONECT   24   22   26   26   75                                       
CONECT   25   23   27   27   76                                       
CONECT   26   24   24   27   77                                       
CONECT   27   25   25   26   28                                       
CONECT   28   27   78                                                 
CONECT   29   30   79   19                                            
CONECT   30   29   31   35   80                                       
CONECT   31   30   32   33   34                                       
CONECT   32   31   81   82   83                                       
CONECT   33   31   84   85   86                                       
CONECT   34   31   87   88   89                                       
CONECT   35   30   36   36   37                                       
CONECT   36   35   35                                                 
CONECT   37   38   90   35                                            
CONECT   38   37   39   41   91                                       
CONECT   39   38   40   40   51                                       
CONECT   40   39   39                                                 
CONECT   41   38   42   92   93                                       
CONECT   42   41   43   94   95                                       
CONECT   43   42   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43   96   97                                            
CONECT   46   47   47                                                 
CONECT   47   46   46   48   49                                       
CONECT   47   52                                                      
CONECT   48   47   98                                                 
CONECT   49   47   50   51   99                                       
CONECT   50   49  100  101  102                                       
CONECT   51   49  103   39                                            
CONECT   52   47  104                                                 
CONECT   53    1                                                      
CONECT   54    4                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   16                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   30                                                      
CONECT   81   32                                                      
CONECT   82   32                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
CONECT   85   33                                                      
CONECT   86   33                                                      
CONECT   87   34                                                      
CONECT   88   34                                                      
CONECT   89   34                                                      
CONECT   90   37                                                      
CONECT   91   38                                                      
CONECT   92   41                                                      
CONECT   93   41                                                      
CONECT   94   42                                                      
CONECT   95   42                                                      
CONECT   96   45                                                      
CONECT   97   45                                                      
CONECT   98   48                                                      
CONECT   99   49                                                      
CONECT  100   50                                                      
CONECT  101   50                                                      
CONECT  102   50                                                      
CONECT  103   51                                                      
CONECT  104   52                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
