COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.434   7.059  -2.700  1.00  0.00           N  
HETATM    2  C   UNL     1       3.409   6.083  -2.809  1.00  0.00           C  
HETATM    3  N   UNL     1       4.394   6.201  -3.693  1.00  0.00           N  
HETATM    4  C   UNL     1       5.328   5.275  -3.804  1.00  0.00           C  
HETATM    5  N   UNL     1       5.342   4.192  -3.055  1.00  0.00           N  
HETATM    6  C   UNL     1       4.398   3.988  -2.143  1.00  0.00           C  
HETATM    7  C   UNL     1       3.384   4.947  -1.982  1.00  0.00           C  
HETATM    8  N   UNL     1       2.568   4.504  -0.996  1.00  0.00           N  
HETATM    9  C   UNL     1       3.008   3.364  -0.548  1.00  0.00           C  
HETATM   10  N   UNL     1       4.131   2.998  -1.230  1.00  0.00           N  
HETATM   11  C   UNL     1       4.917   1.781  -1.016  1.00  0.00           C  
HETATM   12  O   UNL     1       4.098   0.752  -0.420  1.00  0.00           O  
HETATM   13  C   UNL     1       6.038   2.039   0.015  1.00  0.00           C  
HETATM   14  O   UNL     1       7.279   2.290  -0.647  1.00  0.00           O  
HETATM   15  C   UNL     1       6.113   0.726   0.825  1.00  0.00           C  
HETATM   16  O   UNL     1       7.403   0.126   0.688  1.00  0.00           O  
HETATM   17  P   UNL     1       8.363  -0.184   1.942  1.00  0.00           P  
HETATM   18  O   UNL     1       7.636  -1.013   2.928  1.00  0.00           O  
HETATM   19  O   UNL     1       9.670  -0.975   1.435  1.00  0.00           O  
HETATM   20  O   UNL     1       8.809   1.202   2.632  1.00  0.00           O  
HETATM   21  C   UNL     1       5.028  -0.171   0.188  1.00  0.00           C  
HETATM   22  C   UNL     1       4.327  -1.004   1.263  1.00  0.00           C  
HETATM   23  O   UNL     1       3.358  -1.856   0.648  1.00  0.00           O  
HETATM   24  P   UNL     1       2.431  -2.874   1.482  1.00  0.00           P  
HETATM   25  O   UNL     1       1.702  -2.129   2.533  1.00  0.00           O  
HETATM   26  O   UNL     1       3.353  -4.003   2.165  1.00  0.00           O  
HETATM   27  O   UNL     1       1.373  -3.573   0.489  1.00  0.00           O  
HETATM   28  P   UNL     1      -0.032  -4.329   0.704  1.00  0.00           P  
HETATM   29  O   UNL     1      -0.870  -3.554   1.647  1.00  0.00           O  
HETATM   30  O   UNL     1       0.236  -5.798   1.307  1.00  0.00           O  
HETATM   31  O   UNL     1      -0.793  -4.459  -0.708  1.00  0.00           O  
HETATM   32  C   UNL     1      -2.113  -4.991  -0.835  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.532  -4.971  -2.306  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.510  -3.531  -2.824  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.559  -5.822  -3.125  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.945  -5.540  -2.442  1.00  0.00           C  
HETATM   37  O   UNL     1      -3.938  -6.924  -2.085  1.00  0.00           O  
HETATM   38  C   UNL     1      -4.879  -4.791  -1.527  1.00  0.00           C  
HETATM   39  O   UNL     1      -5.364  -5.349  -0.566  1.00  0.00           O  
HETATM   40  N   UNL     1      -5.175  -3.500  -1.777  1.00  0.00           N  
HETATM   41  C   UNL     1      -6.004  -2.743  -0.836  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.187  -1.314  -1.352  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.040  -0.535  -0.384  1.00  0.00           C  
HETATM   44  O   UNL     1      -7.460  -1.070   0.620  1.00  0.00           O  
HETATM   45  N   UNL     1      -7.335   0.756  -0.634  1.00  0.00           N  
HETATM   46  C   UNL     1      -8.165   1.513   0.307  1.00  0.00           C  
HETATM   47  C   UNL     1      -8.347   2.941  -0.209  1.00  0.00           C  
HETATM   48  S   UNL     1      -9.374   3.878   0.956  1.00  0.00           S  
HETATM   49  S   UNL     1      -8.144   4.098   2.581  1.00  0.00           S  
HETATM   50  C   UNL     1      -7.173   5.571   2.162  1.00  0.00           C  
HETATM   51  C   UNL     1      -8.072   6.807   2.214  1.00  0.00           C  
HETATM   52  O   UNL     1      -7.307   7.968   1.884  1.00  0.00           O  
HETATM   53  H   UNL     1       2.464   7.841  -3.274  1.00  0.00           H  
HETATM   54  H   UNL     1       1.718   6.960  -2.053  1.00  0.00           H  
HETATM   55  H   UNL     1       6.111   5.410  -4.536  1.00  0.00           H  
HETATM   56  H   UNL     1       2.547   2.788   0.240  1.00  0.00           H  
HETATM   57  H   UNL     1       5.339   1.432  -1.959  1.00  0.00           H  
HETATM   58  H   UNL     1       5.776   2.876   0.663  1.00  0.00           H  
HETATM   59  H   UNL     1       7.270   3.071  -1.218  1.00  0.00           H  
HETATM   60  H   UNL     1       5.889   0.912   1.876  1.00  0.00           H  
HETATM   61  H   UNL     1      10.295  -1.195   2.139  1.00  0.00           H  
HETATM   62  H   UNL     1       9.292   1.797   2.042  1.00  0.00           H  
HETATM   63  H   UNL     1       5.469  -0.820  -0.569  1.00  0.00           H  
HETATM   64  H   UNL     1       5.063  -1.611   1.789  1.00  0.00           H  
HETATM   65  H   UNL     1       3.830  -0.340   1.970  1.00  0.00           H  
HETATM   66  H   UNL     1       3.860  -4.531   1.534  1.00  0.00           H  
HETATM   67  H   UNL     1       0.780  -6.362   0.741  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.128  -6.016  -0.467  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.806  -4.385  -0.252  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.484  -3.164  -2.834  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.916  -3.502  -3.835  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.115  -2.902  -2.171  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.618  -6.860  -2.797  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.821  -5.759  -4.181  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.543  -5.453  -2.980  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.283  -5.433  -3.473  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.647  -7.095  -1.179  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.839  -3.072  -2.580  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.978  -3.223  -0.743  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.516  -2.717   0.139  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.213  -0.834  -1.446  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.674  -1.339  -2.327  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.999   1.184  -1.437  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.139   1.033   0.400  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.677   1.538   1.282  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.373   3.421  -0.303  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.835   2.916  -1.184  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.357   5.685   2.876  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.763   5.462   1.158  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.887   6.694   1.500  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.482   6.916   3.218  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.815   8.791   1.897  1.00  0.00           H  
CONECT    1    2   53   54                                            
CONECT    2    1    3    7    7                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   55                                       
CONECT    5    4    6    6                                            
CONECT    6    5    5    7   10                                       
CONECT    7    2    2    6    8                                       
CONECT    8    7    9    9                                            
CONECT    9    8    8   10   56                                       
CONECT   10    6    9   11                                            
CONECT   11   10   12   13   57                                       
CONECT   12   11   21                                                 
CONECT   13   11   14   15   58                                       
CONECT   14   13   59                                                 
CONECT   15   13   16   21   60                                       
CONECT   16   15   17                                                 
CONECT   17   16   18   18   19                                       
CONECT   17   20                                                      
CONECT   18   17   17                                                 
CONECT   19   17   61                                                 
CONECT   20   17   62                                                 
CONECT   21   12   15   22   63                                       
CONECT   22   21   23   64   65                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   25   26                                       
CONECT   24   27                                                      
CONECT   25   24   24                                                 
CONECT   26   24   66                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   29   30                                       
CONECT   28   31                                                      
CONECT   29   28   28                                                 
CONECT   30   28   67                                                 
CONECT   31   28   32                                                 
CONECT   32   31   33   68   69                                       
CONECT   33   32   34   35   36                                       
CONECT   34   33   70   71   72                                       
CONECT   35   33   73   74   75                                       
CONECT   36   33   37   38   76                                       
CONECT   37   36   77                                                 
CONECT   38   36   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   41   78                                            
CONECT   41   40   42   79   80                                       
CONECT   42   41   43   81   82                                       
CONECT   43   42   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43   46   83                                            
CONECT   46   45   47   84   85                                       
CONECT   47   46   48   86   87                                       
CONECT   48   47   49                                                 
CONECT   49   48   50                                                 
CONECT   50   49   51   88   89                                       
CONECT   51   50   52   90   91                                       
CONECT   52   51   92                                                 
CONECT   53    1                                                      
CONECT   54    1                                                      
CONECT   55    4                                                      
CONECT   56    9                                                      
CONECT   57   11                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   26                                                      
CONECT   67   30                                                      
CONECT   68   32                                                      
CONECT   69   32                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   40                                                      
CONECT   79   41                                                      
CONECT   80   41                                                      
CONECT   81   42                                                      
CONECT   82   42                                                      
CONECT   83   45                                                      
CONECT   84   46                                                      
CONECT   85   46                                                      
CONECT   86   47                                                      
CONECT   87   47                                                      
CONECT   88   50                                                      
CONECT   89   50                                                      
CONECT   90   51                                                      
CONECT   91   51                                                      
CONECT   92   52                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
