COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.732  -0.741  -0.301  1.00  0.00           N  
HETATM    2  C   UNL     1       8.988  -0.542  -0.742  1.00  0.00           C  
HETATM    3  N   UNL     1       9.896  -1.535  -0.714  1.00  0.00           N  
HETATM    4  C   UNL     1       9.556  -2.755  -0.251  1.00  0.00           C  
HETATM    5  C   UNL     1       8.237  -2.980   0.211  1.00  0.00           C  
HETATM    6  C   UNL     1       7.347  -1.965   0.176  1.00  0.00           C  
HETATM    7  O   UNL     1       9.309   0.553  -1.162  1.00  0.00           O  
HETATM    8  O   UNL     1      10.376  -3.655  -0.230  1.00  0.00           O  
HETATM    9  P   UNL     1       1.274   0.802  -0.275  1.00  0.00           P  
HETATM   10  O   UNL     1       0.837   2.083   0.323  1.00  0.00           O  
HETATM   11  O   UNL     1       1.520   1.004  -1.854  1.00  0.00           O  
HETATM   12  O   UNL     1       0.136  -0.313  -0.048  1.00  0.00           O  
HETATM   13  P   UNL     1      -1.273   0.380  -0.404  1.00  0.00           P  
HETATM   14  O   UNL     1      -1.284   1.768   0.111  1.00  0.00           O  
HETATM   15  O   UNL     1      -1.473   0.399  -2.001  1.00  0.00           O  
HETATM   16  C   UNL     1       6.767   0.360  -0.339  1.00  0.00           C  
HETATM   17  C   UNL     1       7.233   1.515   0.582  1.00  0.00           C  
HETATM   18  O   UNL     1       8.111   2.404  -0.111  1.00  0.00           O  
HETATM   19  C   UNL     1       5.878   2.203   0.901  1.00  0.00           C  
HETATM   20  O   UNL     1       5.517   3.121  -0.133  1.00  0.00           O  
HETATM   21  C   UNL     1       4.903   1.006   0.938  1.00  0.00           C  
HETATM   22  O   UNL     1       5.505  -0.065   0.201  1.00  0.00           O  
HETATM   23  C   UNL     1       3.574   1.399   0.291  1.00  0.00           C  
HETATM   24  O   UNL     1       2.643   0.323   0.424  1.00  0.00           O  
HETATM   25  C   UNL     1      -8.242  -0.268  -1.194  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.051  -0.852  -2.570  1.00  0.00           C  
HETATM   27  O   UNL     1      -7.219  -1.709  -2.753  1.00  0.00           O  
HETATM   28  C   UNL     1      -9.637  -0.628  -0.677  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.674   0.271   0.026  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.469  -0.454   0.277  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.847  -0.707  -0.067  1.00  0.00           C  
HETATM   32  N   UNL     1      -4.996  -1.416   1.207  1.00  0.00           N  
HETATM   33  C   UNL     1      -4.264  -2.521   1.452  1.00  0.00           C  
HETATM   34  O   UNL     1      -3.481  -2.927   0.620  1.00  0.00           O  
HETATM   35  C   UNL     1      -4.417  -3.250   2.762  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.129   0.077  -0.370  1.00  0.00           C  
HETATM   37  O   UNL     1      -7.254  -0.801  -0.309  1.00  0.00           O  
HETATM   38  C   UNL     1      -6.285   1.186   0.678  1.00  0.00           C  
HETATM   39  O   UNL     1      -6.512   0.602   1.962  1.00  0.00           O  
HETATM   40  C   UNL     1      -5.003   2.021   0.714  1.00  0.00           C  
HETATM   41  O   UNL     1      -3.900   1.197   1.088  1.00  0.00           O  
HETATM   42  C   UNL     1      -5.161   3.151   1.733  1.00  0.00           C  
HETATM   43  O   UNL     1      -4.013   4.000   1.686  1.00  0.00           O  
HETATM   44  O   UNL     1      -8.804  -0.419  -3.593  1.00  0.00           O  
HETATM   45  O   UNL     1      -3.541  -4.379   2.784  1.00  0.00           O  
HETATM   46  H   UNL     1      10.798  -1.373  -1.032  1.00  0.00           H  
HETATM   47  H   UNL     1       7.946  -3.950   0.585  1.00  0.00           H  
HETATM   48  H   UNL     1       6.336  -2.117   0.525  1.00  0.00           H  
HETATM   49  H   UNL     1       1.803   0.148  -2.204  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.460  -0.522  -2.295  1.00  0.00           H  
HETATM   51  H   UNL     1       6.640   0.718  -1.360  1.00  0.00           H  
HETATM   52  H   UNL     1       7.702   1.131   1.488  1.00  0.00           H  
HETATM   53  H   UNL     1       8.362   3.096   0.517  1.00  0.00           H  
HETATM   54  H   UNL     1       5.915   2.703   1.869  1.00  0.00           H  
HETATM   55  H   UNL     1       6.211   3.793  -0.165  1.00  0.00           H  
HETATM   56  H   UNL     1       4.735   0.697   1.970  1.00  0.00           H  
HETATM   57  H   UNL     1       3.734   1.612  -0.766  1.00  0.00           H  
HETATM   58  H   UNL     1       3.177   2.286   0.784  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.141   0.816  -1.241  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.746  -0.276   0.348  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.390  -0.155  -1.306  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.767  -1.710  -0.706  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.581   0.814  -0.914  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.661  -1.425  -0.866  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.622  -1.091   1.873  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.165  -2.579   3.583  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.447  -3.588   2.872  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.063   0.520  -1.364  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.129   1.822   0.412  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.604   1.332   2.589  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.819   2.446  -0.272  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.052   3.732   1.496  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.259   2.728   2.733  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.153   4.697   2.341  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.681  -0.793  -4.477  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.670  -4.817   3.636  1.00  0.00           H  
CONECT    1    2    6   16                                            
CONECT    2    1    3    7    7                                       
CONECT    3    2    4   46                                            
CONECT    4    3    5    8    8                                       
CONECT    5    4    6    6   47                                       
CONECT    6    1    5    5   48                                       
CONECT    7    2    2                                                 
CONECT    8    4    4                                                 
CONECT    9   10   10   11   12                                       
CONECT    9   24                                                      
CONECT   10    9    9                                                 
CONECT   11    9   49                                                 
CONECT   12    9   13                                                 
CONECT   13   12   14   14   15                                       
CONECT   13   30                                                      
CONECT   14   13   13                                                 
CONECT   15   13   50                                                 
CONECT   16    1   17   22   51                                       
CONECT   17   16   18   19   52                                       
CONECT   18   17   53                                                 
CONECT   19   17   20   21   54                                       
CONECT   20   19   55                                                 
CONECT   21   19   22   23   56                                       
CONECT   22   16   21                                                 
CONECT   23   21   24   57   58                                       
CONECT   24    9   23                                                 
CONECT   25   26   28   37   59                                       
CONECT   26   25   27   27   44                                       
CONECT   27   26   26                                                 
CONECT   28   25   60   61   62                                       
CONECT   29   30   31   41   63                                       
CONECT   30   13   29                                                 
CONECT   31   29   32   36   64                                       
CONECT   32   31   33   65                                            
CONECT   33   32   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   45   66   67                                       
CONECT   36   31   37   38   68                                       
CONECT   37   25   36                                                 
CONECT   38   36   39   40   69                                       
CONECT   39   38   70                                                 
CONECT   40   38   41   42   71                                       
CONECT   41   29   40                                                 
CONECT   42   40   43   72   73                                       
CONECT   43   42   74                                                 
CONECT   44   26   75                                                 
CONECT   45   35   76                                                 
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49   11                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   25                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   38                                                      
CONECT   70   39                                                      
CONECT   71   40                                                      
CONECT   72   42                                                      
CONECT   73   42                                                      
CONECT   74   43                                                      
CONECT   75   44                                                      
CONECT   76   45                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
