COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -5.642   0.130  -1.309  1.00  0.00           N  
HETATM    2  N   UNL     1       0.190   0.201   0.414  1.00  0.00           N  
HETATM    3  C   UNL     1      -9.047  -1.132  -1.075  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.977   0.000  -1.440  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.941   1.278  -1.900  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.147   1.989  -0.797  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.863  -0.870  -0.566  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.032   1.116   0.074  1.00  0.00           C  
HETATM    9  C   UNL     1       1.014  -0.864   0.387  1.00  0.00           C  
HETATM   10  C   UNL     1       4.145   0.651  -0.782  1.00  0.00           C  
HETATM   11  C   UNL     1       3.750   3.090  -1.119  1.00  0.00           C  
HETATM   12  C   UNL     1       6.374   3.448  -1.941  1.00  0.00           C  
HETATM   13  C   UNL     1       5.940   2.190  -1.576  1.00  0.00           C  
HETATM   14  C   UNL     1       4.605  -1.591  -0.489  1.00  0.00           C  
HETATM   15  C   UNL     1       7.166  -3.211   1.139  1.00  0.00           C  
HETATM   16  C   UNL     1       7.839  -3.090  -0.254  1.00  0.00           C  
HETATM   17  C   UNL     1       3.284  -1.795  -0.075  1.00  0.00           C  
HETATM   18  C   UNL     1     -11.633  -3.729   0.104  1.00  0.00           C  
HETATM   19  C   UNL     1     -11.098  -2.470  -0.581  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.582  -2.391  -0.390  1.00  0.00           C  
HETATM   21  O   UNL     1      -7.608  -1.056  -0.894  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.070  -0.155   0.535  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.367   0.985  -0.059  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.230   0.022   0.730  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.427   0.085   2.246  1.00  0.00           C  
HETATM   26  P   UNL     1      -1.026   1.760   2.842  1.00  0.00           P  
HETATM   27  O   UNL     1       0.509   2.100   2.496  1.00  0.00           O  
HETATM   28  O   UNL     1      -1.911   2.744   2.181  1.00  0.00           O  
HETATM   29  O   UNL     1      -1.244   1.829   4.436  1.00  0.00           O  
HETATM   30  C   UNL     1       2.425  -0.701  -0.044  1.00  0.00           C  
HETATM   31  N   UNL     1       2.889   0.496  -0.396  1.00  0.00           N  
HETATM   32  C   UNL     1       4.621   2.003  -1.166  1.00  0.00           C  
HETATM   33  C   UNL     1       4.197   4.345  -1.482  1.00  0.00           C  
HETATM   34  C   UNL     1       5.506   4.524  -1.893  1.00  0.00           C  
HETATM   35  N   UNL     1       4.993  -0.368  -0.830  1.00  0.00           N  
HETATM   36  N   UNL     1       5.498  -2.649  -0.536  1.00  0.00           N  
HETATM   37  C   UNL     1       5.662  -3.262   0.795  1.00  0.00           C  
HETATM   38  C   UNL     1       6.823  -2.203  -1.016  1.00  0.00           C  
HETATM   39  O   UNL     1       9.110  -2.444  -0.154  1.00  0.00           O  
HETATM   40  C   UNL     1      10.206  -3.342   0.031  1.00  0.00           C  
HETATM   41  O   UNL     1       0.602  -1.959   0.715  1.00  0.00           O  
HETATM   42  O   UNL     1      -1.477   2.114  -0.335  1.00  0.00           O  
HETATM   43  O   UNL     1      -7.612   0.836  -2.052  1.00  0.00           O  
HETATM   44  H   UNL     1       0.536   1.087   0.225  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.277  -1.172  -2.140  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.515  -0.251  -0.635  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.258   0.930  -2.675  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.666   1.967  -2.333  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.474   2.720  -1.243  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.835   2.493  -0.117  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.537  -1.599  -0.116  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.177  -1.377  -1.245  1.00  0.00           H  
HETATM   53  H   UNL     1       2.727   2.951  -0.803  1.00  0.00           H  
HETATM   54  H   UNL     1       7.396   3.594  -2.258  1.00  0.00           H  
HETATM   55  H   UNL     1       6.621   1.352  -1.607  1.00  0.00           H  
HETATM   56  H   UNL     1       7.478  -4.128   1.639  1.00  0.00           H  
HETATM   57  H   UNL     1       7.391  -2.341   1.755  1.00  0.00           H  
HETATM   58  H   UNL     1       7.937  -4.067  -0.727  1.00  0.00           H  
HETATM   59  H   UNL     1       2.939  -2.778   0.209  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.165  -4.609  -0.336  1.00  0.00           H  
HETATM   61  H   UNL     1     -11.403  -3.689   1.169  1.00  0.00           H  
HETATM   62  H   UNL     1     -12.713  -3.785  -0.032  1.00  0.00           H  
HETATM   63  H   UNL     1     -11.328  -2.510  -1.646  1.00  0.00           H  
HETATM   64  H   UNL     1     -11.566  -1.590  -0.141  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.114  -3.271  -0.830  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.352  -2.351   0.675  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.752   0.197   1.308  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.347  -0.844   0.971  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.565  -0.947   0.360  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.464  -0.149   2.487  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.770  -0.640   2.728  1.00  0.00           H  
HETATM   72  H   UNL     1       1.147   1.494   2.898  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.049   2.693   4.823  1.00  0.00           H  
HETATM   74  H   UNL     1       3.523   5.188  -1.445  1.00  0.00           H  
HETATM   75  H   UNL     1       5.851   5.507  -2.176  1.00  0.00           H  
HETATM   76  H   UNL     1       5.322  -4.297   0.771  1.00  0.00           H  
HETATM   77  H   UNL     1       5.094  -2.699   1.535  1.00  0.00           H  
HETATM   78  H   UNL     1       6.981  -1.152  -0.774  1.00  0.00           H  
HETATM   79  H   UNL     1       6.911  -2.363  -2.091  1.00  0.00           H  
HETATM   80  H   UNL     1      11.134  -2.774   0.098  1.00  0.00           H  
HETATM   81  H   UNL     1      10.059  -3.909   0.951  1.00  0.00           H  
HETATM   82  H   UNL     1      10.259  -4.029  -0.814  1.00  0.00           H  
CONECT    1    5    7    4                                            
CONECT    2    9   24   44                                            
CONECT    3   21   20   45   46                                       
CONECT    4    1   21   43   43                                       
CONECT    5    6    1   47   48                                       
CONECT    6   23    5   49   50                                       
CONECT    7   22    1   51   52                                       
CONECT    8   42   42   24   23                                       
CONECT    9   30    2   41   41                                       
CONECT   10   32   35   35   31                                       
CONECT   11   33   32   32   53                                       
CONECT   12   34   13   13   54                                       
CONECT   13   12   12   32   55                                       
CONECT   14   35   36   17   17                                       
CONECT   15   16   37   56   57                                       
CONECT   16   39   38   15   58                                       
CONECT   17   14   14   30   59                                       
CONECT   18   19   60   61   62                                       
CONECT   19   18   20   63   64                                       
CONECT   20   19    3   65   66                                       
CONECT   21    4    3                                                 
CONECT   22   23    7   67   68                                       
CONECT   23    8    6   22                                            
CONECT   24    2   25    8   69                                       
CONECT   25   26   24   70   71                                       
CONECT   26   28   28   27   25                                       
CONECT   26   29                                                      
CONECT   27   26   72                                                 
CONECT   28   26   26                                                 
CONECT   29   26   73                                                 
CONECT   30   31   31   17    9                                       
CONECT   31   10   30   30                                            
CONECT   32   11   11   13   10                                       
CONECT   33   34   34   11   74                                       
CONECT   34   33   33   12   75                                       
CONECT   35   10   10   14                                            
CONECT   36   38   14   37                                            
CONECT   37   36   15   76   77                                       
CONECT   38   16   36   78   79                                       
CONECT   39   40   16                                                 
CONECT   40   39   80   81   82                                       
CONECT   41    9    9                                                 
CONECT   42    8    8                                                 
CONECT   43    4    4                                                 
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   27                                                      
CONECT   73   29                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
CONECT   80   40                                                      
CONECT   81   40                                                      
CONECT   82   40                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
