COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.693  -0.578  -0.445  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.169  -0.245  -0.457  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.956  -0.257   0.243  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.122   0.422  -0.479  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.432   0.076   0.231  1.00  0.00           C  
HETATM    6  C   UNL     1     -12.908   0.410   0.220  1.00  0.00           C  
HETATM    7  C   UNL     1     -15.384   0.743   0.209  1.00  0.00           C  
HETATM    8  C   UNL     1     -17.860   1.077   0.198  1.00  0.00           C  
HETATM    9  C   UNL     1       9.998   3.717   0.301  1.00  0.00           C  
HETATM   10  C   UNL     1       8.924   2.819   0.416  1.00  0.00           C  
HETATM   11  C   UNL     1       8.912   1.689  -0.419  1.00  0.00           C  
HETATM   12  C   UNL     1       7.321  -0.259  -0.709  1.00  0.00           C  
HETATM   13  C   UNL     1       5.631  -1.841  -0.660  1.00  0.00           C  
HETATM   14  C   UNL     1       4.496  -2.251   0.281  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.545  -1.247   0.265  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.003  -0.924   0.265  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.479  -0.590   0.254  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.645   0.089  -0.468  1.00  0.00           C  
HETATM   19  C   UNL     1     -11.598   0.756  -0.490  1.00  0.00           C  
HETATM   20  C   UNL     1     -14.074   1.089  -0.501  1.00  0.00           C  
HETATM   21  C   UNL     1     -16.550   1.422  -0.512  1.00  0.00           C  
HETATM   22  C   UNL     1     -19.026   1.756  -0.523  1.00  0.00           C  
HETATM   23  C   UNL     1       6.925  -2.597  -0.287  1.00  0.00           C  
HETATM   24  C   UNL     1       7.944  -1.474   0.023  1.00  0.00           C  
HETATM   25  C   UNL     1       7.133   1.689   0.884  1.00  0.00           C  
HETATM   26  C   UNL     1      10.894   2.381  -1.355  1.00  0.00           C  
HETATM   27  N   UNL     1      10.068   4.844   1.101  1.00  0.00           N  
HETATM   28  N   UNL     1       7.771   0.996  -0.101  1.00  0.00           N  
HETATM   29  N   UNL     1       7.811   2.758   1.186  1.00  0.00           N  
HETATM   30  N   UNL     1       9.908   1.512  -1.281  1.00  0.00           N  
HETATM   31  N   UNL     1      10.949   3.457  -0.591  1.00  0.00           N  
HETATM   32  O   UNL     1       5.901  -0.436  -0.516  1.00  0.00           O  
HETATM   33  O   UNL     1       3.282  -1.623  -0.135  1.00  0.00           O  
HETATM   34  O   UNL     1       1.576  -3.277   0.716  1.00  0.00           O  
HETATM   35  O   UNL     1       0.709  -1.084  -0.184  1.00  0.00           O  
HETATM   36  O   UNL     1      -0.753  -1.930   1.240  1.00  0.00           O  
HETATM   37  O   UNL     1       1.981  -1.214   2.113  1.00  0.00           O  
HETATM   38  O   UNL     1       7.375  -3.391  -1.386  1.00  0.00           O  
HETATM   39  O   UNL     1       9.230  -1.789  -0.515  1.00  0.00           O  
HETATM   40  P   UNL     1       1.881  -1.831   0.629  1.00  0.00           P  
HETATM   41  H   UNL     1      -1.548   0.502  -0.434  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.736  -0.928  -1.477  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.024   0.835  -0.445  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.212  -0.595  -1.488  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.913   0.093   1.274  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.101  -1.337   0.231  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.976   1.502  -0.468  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.164   0.072  -1.510  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.577  -1.004   0.220  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.389   0.427   1.263  1.00  0.00           H  
HETATM   51  H   UNL     1     -13.053  -0.670   0.209  1.00  0.00           H  
HETATM   52  H   UNL     1     -12.865   0.760   1.252  1.00  0.00           H  
HETATM   53  H   UNL     1     -15.529  -0.337   0.198  1.00  0.00           H  
HETATM   54  H   UNL     1     -15.341   1.094   1.241  1.00  0.00           H  
HETATM   55  H   UNL     1     -18.006  -0.004   0.187  1.00  0.00           H  
HETATM   56  H   UNL     1     -17.817   1.427   1.229  1.00  0.00           H  
HETATM   57  H   UNL     1       7.570  -0.281  -1.770  1.00  0.00           H  
HETATM   58  H   UNL     1       5.358  -2.062  -1.692  1.00  0.00           H  
HETATM   59  H   UNL     1       4.374  -3.334   0.251  1.00  0.00           H  
HETATM   60  H   UNL     1       4.737  -1.940   1.297  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.149  -2.004   0.254  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.961  -0.574   1.296  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.625  -1.671   0.243  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.437  -0.240   1.285  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.688  -0.262  -1.499  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.500   1.169  -0.456  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.452   1.836  -0.479  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.640   0.405  -1.521  1.00  0.00           H  
HETATM   69  H   UNL     1     -13.928   2.169  -0.490  1.00  0.00           H  
HETATM   70  H   UNL     1     -14.116   0.739  -1.533  1.00  0.00           H  
HETATM   71  H   UNL     1     -16.404   2.503  -0.501  1.00  0.00           H  
HETATM   72  H   UNL     1     -16.592   1.072  -1.544  1.00  0.00           H  
HETATM   73  H   UNL     1     -19.068   1.406  -1.555  1.00  0.00           H  
HETATM   74  H   UNL     1     -19.959   1.510  -0.017  1.00  0.00           H  
HETATM   75  H   UNL     1     -18.881   2.836  -0.512  1.00  0.00           H  
HETATM   76  H   UNL     1       6.763  -3.219   0.593  1.00  0.00           H  
HETATM   77  H   UNL     1       8.007  -1.291   1.096  1.00  0.00           H  
HETATM   78  H   UNL     1       6.203   1.395   1.346  1.00  0.00           H  
HETATM   79  H   UNL     1      11.687   2.208  -2.067  1.00  0.00           H  
HETATM   80  H   UNL     1      10.816   5.455   1.014  1.00  0.00           H  
HETATM   81  H   UNL     1       9.368   5.023   1.748  1.00  0.00           H  
HETATM   82  H   UNL     1       2.179  -0.267   2.132  1.00  0.00           H  
HETATM   83  H   UNL     1       8.185  -3.888  -1.207  1.00  0.00           H  
HETATM   84  H   UNL     1       9.622  -2.595  -0.151  1.00  0.00           H  
CONECT    1   15   16   41   42                                       
CONECT    2   16   17   43   44                                       
CONECT    3   18    4   45   46                                       
CONECT    4    3    5   47   48                                       
CONECT    5   19    4   49   50                                       
CONECT    6   19   20   51   52                                       
CONECT    7   20   21   53   54                                       
CONECT    8   21   22   55   56                                       
CONECT    9   10   10   31   27                                       
CONECT   10   11   29    9    9                                       
CONECT   11   28   30   30   10                                       
CONECT   12   32   24   28   57                                       
CONECT   13   14   32   23   58                                       
CONECT   14   33   13   59   60                                       
CONECT   15   35   36   36    1                                       
CONECT   16    1    2   61   62                                       
CONECT   17    2   18   63   64                                       
CONECT   18   17    3   65   66                                       
CONECT   19    6    5   67   68                                       
CONECT   20    6    7   69   70                                       
CONECT   21    7    8   71   72                                       
CONECT   22    8   73   74   75                                       
CONECT   23   13   38   24   76                                       
CONECT   24   39   23   12   77                                       
CONECT   25   28   29   29   78                                       
CONECT   26   30   31   31   79                                       
CONECT   27    9   80   81                                            
CONECT   28   12   25   11                                            
CONECT   29   25   25   10                                            
CONECT   30   11   11   26                                            
CONECT   31   26   26    9                                            
CONECT   32   13   12                                                 
CONECT   33   40   14                                                 
CONECT   34   40   40                                                 
CONECT   35   40   15                                                 
CONECT   36   15   15                                                 
CONECT   37   40   82                                                 
CONECT   38   23   83                                                 
CONECT   39   24   84                                                 
CONECT   40   34   34   37   33                                       
CONECT   40   35                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   27                                                      
CONECT   81   27                                                      
CONECT   82   37                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
