COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.303   3.178  -3.890  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.721  -0.409  -2.279  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.064  -0.139  -3.588  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.377   0.832  -4.301  1.00  0.00           C  
HETATM    5  C   UNL     1       0.667   1.538  -3.684  1.00  0.00           C  
HETATM    6  C   UNL     1       0.999   1.257  -2.353  1.00  0.00           C  
HETATM    7  C   UNL     1       0.309   0.285  -1.665  1.00  0.00           C  
HETATM    8  P   UNL     1      -0.154  -0.121  -6.477  1.00  0.00           P  
HETATM    9  O   UNL     1      -0.721  -1.394  -5.980  1.00  0.00           O  
HETATM   10  O   UNL     1      -0.583   0.094  -8.014  1.00  0.00           O  
HETATM   11  O   UNL     1       1.451  -0.170  -6.370  1.00  0.00           O  
HETATM   12  C   UNL     1       0.672  -0.021  -0.235  1.00  0.00           C  
HETATM   13  C   UNL     1       1.735  -1.121  -0.203  1.00  0.00           C  
HETATM   14  C   UNL     1       2.099  -1.427   1.226  1.00  0.00           C  
HETATM   15  N   UNL     1       3.100  -0.754   1.826  1.00  0.00           N  
HETATM   16  N   UNL     1       1.208  -2.329  -0.842  1.00  0.00           N  
HETATM   17  C   UNL     1       0.106  -2.927  -0.348  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.436  -4.169  -1.005  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.448  -2.465   0.626  1.00  0.00           O  
HETATM   20  O   UNL     1       1.489  -2.280   1.837  1.00  0.00           O  
HETATM   21  C   UNL     1       3.453  -1.052   3.217  1.00  0.00           C  
HETATM   22  C   UNL     1       4.806  -0.419   3.551  1.00  0.00           C  
HETATM   23  C   UNL     1       4.975   0.902   2.824  1.00  0.00           C  
HETATM   24  C   UNL     1       4.020   1.985   3.292  1.00  0.00           C  
HETATM   25  C   UNL     1       2.577   1.634   2.926  1.00  0.00           C  
HETATM   26  N   UNL     1       2.010   0.796   3.995  1.00  0.00           N  
HETATM   27  C   UNL     1       2.405  -0.472   4.143  1.00  0.00           C  
HETATM   28  C   UNL     1       1.003   1.353   4.901  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.371   1.117   4.330  1.00  0.00           C  
HETATM   30  O   UNL     1       1.927  -1.155   5.024  1.00  0.00           O  
HETATM   31  O   UNL     1      -0.714   1.098  -5.587  1.00  0.00           O  
HETATM   32  C   UNL     1      -0.942   2.060   3.495  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.198   1.847   2.965  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.896   0.683   3.282  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.319  -0.261   4.128  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.059  -0.039   4.647  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.250   0.450   2.720  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.619  -0.821   2.288  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.881  -1.033   1.772  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.775   0.016   1.672  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.412   1.283   2.093  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.155   1.505   2.616  1.00  0.00           C  
HETATM   43  C   UNL     1       1.401   2.570  -4.427  1.00  0.00           C  
HETATM   44  H   UNL     1      -1.259  -1.167  -1.728  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.868  -0.686  -4.058  1.00  0.00           H  
HETATM   46  H   UNL     1       1.801   1.795  -1.871  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.229  -0.655  -8.511  1.00  0.00           H  
HETATM   48  H   UNL     1       1.779   0.676  -6.703  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.214  -0.358   0.300  1.00  0.00           H  
HETATM   50  H   UNL     1       1.065   0.877   0.240  1.00  0.00           H  
HETATM   51  H   UNL     1       2.623  -0.784  -0.739  1.00  0.00           H  
HETATM   52  H   UNL     1       3.587  -0.072   1.338  1.00  0.00           H  
HETATM   53  H   UNL     1       1.652  -2.698  -1.622  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.323  -4.506  -0.469  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.698  -3.947  -2.040  1.00  0.00           H  
HETATM   56  H   UNL     1       0.321  -4.953  -0.983  1.00  0.00           H  
HETATM   57  H   UNL     1       3.509  -2.132   3.357  1.00  0.00           H  
HETATM   58  H   UNL     1       5.604  -1.098   3.250  1.00  0.00           H  
HETATM   59  H   UNL     1       4.867  -0.249   4.626  1.00  0.00           H  
HETATM   60  H   UNL     1       4.818   0.736   1.759  1.00  0.00           H  
HETATM   61  H   UNL     1       5.997   1.252   2.972  1.00  0.00           H  
HETATM   62  H   UNL     1       4.291   2.929   2.821  1.00  0.00           H  
HETATM   63  H   UNL     1       4.100   2.090   4.374  1.00  0.00           H  
HETATM   64  H   UNL     1       2.561   1.087   1.984  1.00  0.00           H  
HETATM   65  H   UNL     1       1.992   2.549   2.830  1.00  0.00           H  
HETATM   66  H   UNL     1       1.170   2.424   5.015  1.00  0.00           H  
HETATM   67  H   UNL     1       1.080   0.868   5.873  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.400   2.962   3.250  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.641   2.582   2.310  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.855  -1.164   4.376  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.611  -0.771   5.303  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.921  -1.642   2.366  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.170  -2.020   1.442  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.760  -0.152   1.263  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.115   2.099   2.012  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.873   2.494   2.946  1.00  0.00           H  
HETATM   77  H   UNL     1       1.138   2.787  -5.452  1.00  0.00           H  
CONECT    1   43   43                                                 
CONECT    2    3    7    7   44                                       
CONECT    3    2    4    4   45                                       
CONECT    4    3    3    5   31                                       
CONECT    5    4    6    6   43                                       
CONECT    6    5    5    7   46                                       
CONECT    7    2    2    6   12                                       
CONECT    8    9    9   10   11                                       
CONECT    8   31                                                      
CONECT    9    8    8                                                 
CONECT   10    8   47                                                 
CONECT   11    8   48                                                 
CONECT   12    7   13   49   50                                       
CONECT   13   12   14   16   51                                       
CONECT   14   13   15   20   20                                       
CONECT   15   14   21   52                                            
CONECT   16   13   17   53                                            
CONECT   17   16   18   19   19                                       
CONECT   18   17   54   55   56                                       
CONECT   19   17   17                                                 
CONECT   20   14   14                                                 
CONECT   21   15   22   27   57                                       
CONECT   22   21   23   58   59                                       
CONECT   23   22   24   60   61                                       
CONECT   24   23   25   62   63                                       
CONECT   25   24   26   64   65                                       
CONECT   26   25   27   28                                            
CONECT   27   21   26   30   30                                       
CONECT   28   26   29   66   67                                       
CONECT   29   28   32   36   36                                       
CONECT   30   27   27                                                 
CONECT   31    4    8                                                 
CONECT   32   29   33   33   68                                       
CONECT   33   32   32   34   69                                       
CONECT   34   33   35   35   37                                       
CONECT   35   34   34   36   70                                       
CONECT   36   29   29   35   71                                       
CONECT   37   34   38   42   42                                       
CONECT   38   37   39   39   72                                       
CONECT   39   38   38   40   73                                       
CONECT   40   39   41   41   74                                       
CONECT   41   40   40   42   75                                       
CONECT   42   37   37   41   76                                       
CONECT   43    1    1    5   77                                       
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    6                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   28                                                      
CONECT   67   28                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   38                                                      
CONECT   73   39                                                      
CONECT   74   40                                                      
CONECT   75   41                                                      
CONECT   76   42                                                      
CONECT   77   43                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
