COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.292   1.205  -0.583  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.870   1.104  -0.487  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.941   0.170   0.340  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.481   0.382   1.714  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.543  -1.235  -0.122  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.202  -2.210   0.688  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.960  -1.418  -1.584  1.00  0.00           C  
HETATM    8  O   UNL     1      -6.382  -1.324  -1.691  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.310  -0.321  -2.433  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.697   0.959  -1.931  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.770  -0.461  -3.885  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.075   0.488  -4.698  1.00  0.00           O  
HETATM   13  C   UNL     1      -5.102   1.282   2.502  1.00  0.00           C  
HETATM   14  O   UNL     1      -6.043   1.916   2.072  1.00  0.00           O  
HETATM   15  C   UNL     1      -4.629   1.501   3.915  1.00  0.00           C  
HETATM   16  P   UNL     1       0.979   2.711  -0.024  1.00  0.00           P  
HETATM   17  P   UNL     1      -1.886   2.360  -0.701  1.00  0.00           P  
HETATM   18  O   UNL     1       0.681   3.736   1.002  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.993   2.872  -2.223  1.00  0.00           O  
HETATM   20  C   UNL     1       5.647  -0.720   0.854  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.177  -4.452   1.687  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.601  -5.668   1.774  1.00  0.00           O  
HETATM   23  N   UNL     1       6.452  -1.191  -0.276  1.00  0.00           N  
HETATM   24  O   UNL     1       1.556   3.427  -1.346  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.275   3.454   0.217  1.00  0.00           O  
HETATM   26  C   UNL     1       6.473   0.234   1.745  1.00  0.00           C  
HETATM   27  O   UNL     1       6.997  -0.465   2.876  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.621  -3.436   0.776  1.00  0.00           C  
HETATM   29  O   UNL     1      -6.155  -4.194   2.360  1.00  0.00           O  
HETATM   30  C   UNL     1       6.711  -2.504  -0.408  1.00  0.00           C  
HETATM   31  O   UNL     1       6.274  -3.287   0.413  1.00  0.00           O  
HETATM   32  O   UNL     1      -0.370   1.913  -0.391  1.00  0.00           O  
HETATM   33  C   UNL     1       5.454   1.304   2.195  1.00  0.00           C  
HETATM   34  O   UNL     1       5.317   1.299   3.617  1.00  0.00           O  
HETATM   35  C   UNL     1      -3.547  -3.719   0.037  1.00  0.00           C  
HETATM   36  N   UNL     1       7.448  -2.964  -1.437  1.00  0.00           N  
HETATM   37  C   UNL     1       4.133   0.870   1.522  1.00  0.00           C  
HETATM   38  O   UNL     1       4.540   0.079   0.385  1.00  0.00           O  
HETATM   39  C   UNL     1       7.940  -2.109  -2.356  1.00  0.00           C  
HETATM   40  O   UNL     1       8.606  -2.524  -3.287  1.00  0.00           O  
HETATM   41  C   UNL     1       3.341   2.096   1.062  1.00  0.00           C  
HETATM   42  O   UNL     1       2.074   1.680   0.550  1.00  0.00           O  
HETATM   43  C   UNL     1       7.674  -0.724  -2.229  1.00  0.00           C  
HETATM   44  C   UNL     1       6.928  -0.291  -1.190  1.00  0.00           C  
HETATM   45  H   UNL     1      -4.607   2.205  -0.285  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.025   0.273   0.298  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.729  -0.125   2.058  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.463  -1.356  -0.033  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.632  -2.395  -1.938  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.717  -1.431  -2.592  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.226  -0.419  -2.384  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.555  -1.469  -4.240  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.842  -0.275  -3.947  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.317   0.456  -5.633  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.781   0.847   4.120  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.325   2.540   4.040  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.439   1.273   4.609  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.752   2.206  -2.881  1.00  0.00           H  
HETATM   59  H   UNL     1       5.284  -1.566   1.438  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.001  -6.301   2.385  1.00  0.00           H  
HETATM   61  H   UNL     1       1.773   2.814  -2.062  1.00  0.00           H  
HETATM   62  H   UNL     1       7.279   0.691   1.171  1.00  0.00           H  
HETATM   63  H   UNL     1       7.524   0.086   3.470  1.00  0.00           H  
HETATM   64  H   UNL     1       5.755   2.290   1.843  1.00  0.00           H  
HETATM   65  H   UNL     1       6.134   1.506   4.092  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.194  -3.010  -0.697  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.030  -4.658   0.174  1.00  0.00           H  
HETATM   68  H   UNL     1       3.537   0.269   2.209  1.00  0.00           H  
HETATM   69  H   UNL     1       3.189   2.768   1.907  1.00  0.00           H  
HETATM   70  H   UNL     1       3.896   2.615   0.281  1.00  0.00           H  
HETATM   71  H   UNL     1       8.060  -0.024  -2.955  1.00  0.00           H  
HETATM   72  H   UNL     1       6.715   0.762  -1.077  1.00  0.00           H  
HETATM   73  H   UNL     1       7.626  -3.914  -1.517  1.00  0.00           H  
CONECT    1    3    2   10   45                                       
CONECT    2    1   17                                                 
CONECT    3    1    4    5   46                                       
CONECT    4    3   13   47                                            
CONECT    5    3    6    7   48                                       
CONECT    6    5   28                                                 
CONECT    7    5    8    9   49                                       
CONECT    8    7   50                                                 
CONECT    9    7   10   11   51                                       
CONECT   10    1    9                                                 
CONECT   11    9   12   52   53                                       
CONECT   12   11   54                                                 
CONECT   13    4   15   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   13   55   56   57                                       
CONECT   16   32   18   18   42                                       
CONECT   16   24                                                      
CONECT   17    2   25   25   19                                       
CONECT   17   32                                                      
CONECT   18   16   16                                                 
CONECT   19   17   58                                                 
CONECT   20   26   23   38   59                                       
CONECT   21   29   29   22   28                                       
CONECT   22   21   60                                                 
CONECT   23   20   44   30                                            
CONECT   24   16   61                                                 
CONECT   25   17   17                                                 
CONECT   26   20   27   33   62                                       
CONECT   27   26   63                                                 
CONECT   28    6   21   35   35                                       
CONECT   29   21   21                                                 
CONECT   30   23   36   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   16   17                                                 
CONECT   33   26   37   34   64                                       
CONECT   34   33   65                                                 
CONECT   35   28   28   66   67                                       
CONECT   36   30   39   73                                            
CONECT   37   33   41   38   68                                       
CONECT   38   20   37                                                 
CONECT   39   36   43   40   40                                       
CONECT   40   39   39                                                 
CONECT   41   37   42   69   70                                       
CONECT   42   16   41                                                 
CONECT   43   39   44   44   71                                       
CONECT   44   23   43   43   72                                       
CONECT   45    1                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   22                                                      
CONECT   61   24                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
CONECT   68   37                                                      
CONECT   69   41                                                      
CONECT   70   41                                                      
CONECT   71   43                                                      
CONECT   72   44                                                      
CONECT   73   36                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
