COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1     -11.396   2.869  -0.735  1.00  0.00           P  
HETATM    2  N   UNL     1      -6.245  -1.315   0.209  1.00  0.00           N  
HETATM    3  C   UNL     1      -6.172  -0.689   1.394  1.00  0.00           C  
HETATM    4  O   UNL     1      -7.201  -0.341   1.939  1.00  0.00           O  
HETATM    5  N   UNL     1      -4.998  -0.433   1.996  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.836  -0.806   1.419  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.771  -0.577   1.961  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.887  -1.496   0.118  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.128  -1.727  -0.447  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.659  -1.924  -0.557  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.453  -1.618  -0.025  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.267  -1.931  -0.733  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.332  -2.476  -1.821  1.00  0.00           O  
HETATM   14  C   UNL     1      -7.559  -1.567  -0.387  1.00  0.00           C  
HETATM   15  N   UNL     1       0.935  -1.627  -0.204  1.00  0.00           N  
HETATM   16  C   UNL     1       2.161  -1.951  -0.936  1.00  0.00           C  
HETATM   17  C   UNL     1       3.376  -1.503  -0.120  1.00  0.00           C  
HETATM   18  N   UNL     1       4.603  -1.827  -0.853  1.00  0.00           N  
HETATM   19  C   UNL     1      -8.360  -2.540   0.499  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.641  -1.753   0.866  1.00  0.00           C  
HETATM   21  O   UNL     1     -10.792  -2.600   0.815  1.00  0.00           O  
HETATM   22  C   UNL     1      -9.694  -0.680  -0.251  1.00  0.00           C  
HETATM   23  O   UNL     1      -8.307  -0.341  -0.458  1.00  0.00           O  
HETATM   24  C   UNL     1     -10.485   0.544   0.215  1.00  0.00           C  
HETATM   25  O   UNL     1     -10.618   1.466  -0.868  1.00  0.00           O  
HETATM   26  C   UNL     1       7.066  -1.856  -1.076  1.00  0.00           C  
HETATM   27  O   UNL     1       5.869  -0.980   0.760  1.00  0.00           O  
HETATM   28  C   UNL     1       8.139   2.811   0.757  1.00  0.00           C  
HETATM   29  O   UNL     1       8.828   4.577  -0.643  1.00  0.00           O  
HETATM   30  C   UNL     1      10.546   2.748   1.010  1.00  0.00           C  
HETATM   31  O   UNL     1      11.745   1.856  -0.812  1.00  0.00           O  
HETATM   32  C   UNL     1       9.473  -1.919  -0.823  1.00  0.00           C  
HETATM   33  O   UNL     1      10.680  -4.048  -0.491  1.00  0.00           O  
HETATM   34  C   UNL     1       5.804  -1.522  -0.323  1.00  0.00           C  
HETATM   35  C   UNL     1       8.017   4.192   0.165  1.00  0.00           C  
HETATM   36  O   UNL     1       7.006   4.994   0.536  1.00  0.00           O  
HETATM   37  C   UNL     1      11.809   2.406   0.262  1.00  0.00           C  
HETATM   38  O   UNL     1      13.005   2.711   0.789  1.00  0.00           O  
HETATM   39  C   UNL     1       9.601  -3.295  -0.221  1.00  0.00           C  
HETATM   40  O   UNL     1       8.734  -3.721   0.504  1.00  0.00           O  
HETATM   41  C   UNL     1       8.277   0.162  -0.507  1.00  0.00           C  
HETATM   42  N   UNL     1       8.223  -1.299  -0.363  1.00  0.00           N  
HETATM   43  C   UNL     1       9.335   0.730   0.441  1.00  0.00           C  
HETATM   44  N   UNL     1       9.389   2.191   0.297  1.00  0.00           N  
HETATM   45  O   UNL     1     -12.957   2.594  -0.454  1.00  0.00           O  
HETATM   46  O   UNL     1     -10.822   3.647   0.387  1.00  0.00           O  
HETATM   47  O   UNL     1     -11.236   3.704  -2.103  1.00  0.00           O  
HETATM   48  H   UNL     1      -4.985   0.023   2.853  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.209  -2.230  -1.400  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.716  -2.484  -1.479  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.394  -1.135   0.939  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.439  -1.988  -1.386  1.00  0.00           H  
HETATM   53  H   UNL     1       0.987  -1.193   0.662  1.00  0.00           H  
HETATM   54  H   UNL     1       2.212  -3.027  -1.102  1.00  0.00           H  
HETATM   55  H   UNL     1       2.159  -1.435  -1.896  1.00  0.00           H  
HETATM   56  H   UNL     1       3.325  -0.427   0.045  1.00  0.00           H  
HETATM   57  H   UNL     1       3.379  -2.019   0.840  1.00  0.00           H  
HETATM   58  H   UNL     1       4.550  -2.261  -1.719  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.612  -3.443  -0.057  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.795  -2.790   1.397  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.545  -1.289   1.847  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.762  -3.341   1.435  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.131  -1.094  -1.160  1.00  0.00           H  
HETATM   64  H   UNL     1     -11.474   0.232   0.550  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.958   1.025   1.039  1.00  0.00           H  
HETATM   66  H   UNL     1       7.170  -2.938  -1.149  1.00  0.00           H  
HETATM   67  H   UNL     1       7.015  -1.428  -2.077  1.00  0.00           H  
HETATM   68  H   UNL     1       8.147   2.881   1.844  1.00  0.00           H  
HETATM   69  H   UNL     1       7.293   2.203   0.438  1.00  0.00           H  
HETATM   70  H   UNL     1      10.593   2.325   2.014  1.00  0.00           H  
HETATM   71  H   UNL     1      10.445   3.831   1.076  1.00  0.00           H  
HETATM   72  H   UNL     1      10.319  -1.306  -0.511  1.00  0.00           H  
HETATM   73  H   UNL     1       9.462  -1.997  -1.910  1.00  0.00           H  
HETATM   74  H   UNL     1      10.718  -4.923  -0.083  1.00  0.00           H  
HETATM   75  H   UNL     1       6.969   5.870   0.130  1.00  0.00           H  
HETATM   76  H   UNL     1      13.787   2.472   0.273  1.00  0.00           H  
HETATM   77  H   UNL     1       8.536   0.417  -1.535  1.00  0.00           H  
HETATM   78  H   UNL     1       7.304   0.588  -0.262  1.00  0.00           H  
HETATM   79  H   UNL     1       9.076   0.475   1.469  1.00  0.00           H  
HETATM   80  H   UNL     1      10.308   0.304   0.196  1.00  0.00           H  
HETATM   81  H   UNL     1     -13.398   2.088  -1.149  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.680   4.562  -2.094  1.00  0.00           H  
CONECT    1   25   45   46   46                                       
CONECT    1   47                                                      
CONECT    2    9    3   14                                            
CONECT    3    2    5    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   48                                            
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6   10    9    9                                       
CONECT    9    2    8    8   49                                       
CONECT   10    8   11   11   50                                       
CONECT   11   10   10   12   51                                       
CONECT   12   11   13   13   15                                       
CONECT   13   12   12                                                 
CONECT   14    2   19   23   52                                       
CONECT   15   12   16   53                                            
CONECT   16   15   17   54   55                                       
CONECT   17   16   18   56   57                                       
CONECT   18   17   34   58                                            
CONECT   19   14   20   59   60                                       
CONECT   20   19   22   21   61                                       
CONECT   21   20   62                                                 
CONECT   22   20   24   23   63                                       
CONECT   23   14   22                                                 
CONECT   24   22   25   64   65                                       
CONECT   25   24    1                                                 
CONECT   26   42   34   66   67                                       
CONECT   27   34   34                                                 
CONECT   28   35   44   68   69                                       
CONECT   29   35   35                                                 
CONECT   30   37   44   70   71                                       
CONECT   31   37   37                                                 
CONECT   32   42   39   72   73                                       
CONECT   33   39   74                                                 
CONECT   34   18   27   27   26                                       
CONECT   35   29   29   28   36                                       
CONECT   36   35   75                                                 
CONECT   37   31   31   30   38                                       
CONECT   38   37   76                                                 
CONECT   39   33   32   40   40                                       
CONECT   40   39   39                                                 
CONECT   41   43   42   77   78                                       
CONECT   42   26   32   41                                            
CONECT   43   41   44   79   80                                       
CONECT   44   28   30   43                                            
CONECT   45    1   81                                                 
CONECT   46    1    1                                                 
CONECT   47    1   82                                                 
CONECT   48    5                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   30                                                      
CONECT   71   30                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   36                                                      
CONECT   76   38                                                      
CONECT   77   41                                                      
CONECT   78   41                                                      
CONECT   79   43                                                      
CONECT   80   43                                                      
CONECT   81   45                                                      
CONECT   82   47                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
