COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.523   2.878  -0.465  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.971   3.766   0.124  1.00  0.00           C  
HETATM    3  C   UNL     1       0.080   4.695  -0.062  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.689   2.401  -0.002  1.00  0.00           C  
HETATM    5  O   UNL     1      -0.120   5.893   0.039  1.00  0.00           O  
HETATM    6  N   UNL     1      -2.289   3.879   0.419  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.820   2.693   0.479  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.869   1.747   0.226  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.075   0.297   0.201  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.460   0.004  -0.046  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.717  -0.306   1.573  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.021  -1.003   2.033  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.737  -2.263   2.644  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.776  -1.196   0.693  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.283  -1.298   0.935  1.00  0.00           C  
HETATM   16  O   UNL     1      -5.954  -1.487  -0.313  1.00  0.00           O  
HETATM   17  P   UNL     1      -7.663  -1.618  -0.176  1.00  0.00           P  
HETATM   18  O   UNL     1      -8.624  -1.849  -1.584  1.00  0.00           O  
HETATM   19  O   UNL     1      -7.518  -3.323   0.003  1.00  0.00           O  
HETATM   20  N   UNL     1       1.311   4.220  -0.355  1.00  0.00           N  
HETATM   21  N   UNL     1       0.555   2.006  -0.294  1.00  0.00           N  
HETATM   22  N   UNL     1       2.783   2.426  -0.768  1.00  0.00           N  
HETATM   23  C   UNL     1       2.991   1.107  -1.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.052   0.530  -0.486  1.00  0.00           C  
HETATM   25  C   UNL     1       4.276  -0.906  -0.733  1.00  0.00           C  
HETATM   26  C   UNL     1       3.304  -1.656  -1.551  1.00  0.00           C  
HETATM   27  C   UNL     1       2.146  -0.917  -2.083  1.00  0.00           C  
HETATM   28  C   UNL     1       2.020   0.366  -1.816  1.00  0.00           C  
HETATM   29  C   UNL     1       5.023   1.278   0.330  1.00  0.00           C  
HETATM   30  C   UNL     1       6.079   0.668   0.833  1.00  0.00           C  
HETATM   31  C   UNL     1       6.297  -0.767   0.582  1.00  0.00           C  
HETATM   32  C   UNL     1       5.320  -1.510  -0.235  1.00  0.00           C  
HETATM   33  C   UNL     1       7.336  -1.404   1.068  1.00  0.00           C  
HETATM   34  N   UNL     1       8.233  -0.720   1.819  1.00  0.00           N  
HETATM   35  C   UNL     1       7.556  -2.835   0.823  1.00  0.00           C  
HETATM   36  C   UNL     1       6.734  -3.570   0.106  1.00  0.00           C  
HETATM   37  C   UNL     1       5.538  -2.947  -0.487  1.00  0.00           C  
HETATM   38  C   UNL     1       4.676  -3.618  -1.212  1.00  0.00           C  
HETATM   39  C   UNL     1       3.493  -2.934  -1.777  1.00  0.00           C  
HETATM   40  H   UNL     1      -3.858   2.488   0.697  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.454  -0.152  -0.574  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.911  -1.033   1.472  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.437   0.480   2.274  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.586  -0.363   2.710  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.189  -2.201   3.439  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.409  -2.078   0.169  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.490  -2.145   1.589  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.640  -0.381   1.404  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.572  -1.911  -1.408  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.363  -3.780   0.115  1.00  0.00           H  
HETATM   51  H   UNL     1       3.524   3.049  -0.816  1.00  0.00           H  
HETATM   52  H   UNL     1       1.408  -1.423  -2.687  1.00  0.00           H  
HETATM   53  H   UNL     1       1.164   0.894  -2.208  1.00  0.00           H  
HETATM   54  H   UNL     1       4.870   2.330   0.518  1.00  0.00           H  
HETATM   55  H   UNL     1       6.787   1.223   1.430  1.00  0.00           H  
HETATM   56  H   UNL     1       8.102   0.225   1.990  1.00  0.00           H  
HETATM   57  H   UNL     1       9.007  -1.177   2.186  1.00  0.00           H  
HETATM   58  H   UNL     1       8.429  -3.305   1.252  1.00  0.00           H  
HETATM   59  H   UNL     1       6.935  -4.620  -0.049  1.00  0.00           H  
HETATM   60  H   UNL     1       4.829  -4.671  -1.395  1.00  0.00           H  
HETATM   61  H   UNL     1       2.783  -3.487  -2.375  1.00  0.00           H  
HETATM   62  O   UNL     1      -7.808   0.086  -0.356  1.00  0.00           O  
HETATM   63  H   UNL     1      -8.303  -1.534   1.144  1.00  0.00           H  
HETATM   64  H   UNL     1       2.047   4.838  -0.487  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.720   0.408  -0.326  1.00  0.00           H  
CONECT    1   22   21   21   20                                       
CONECT    2    4    4    3    6                                       
CONECT    3   20    2    5    5                                       
CONECT    4   21    8    2    2                                       
CONECT    5    3    3                                                 
CONECT    6    2    7    7                                            
CONECT    7    8    6    6   40                                       
CONECT    8    4    9    7                                            
CONECT    9   10    8   11   41                                       
CONECT   10    9   14                                                 
CONECT   11    9   12   42   43                                       
CONECT   12   13   11   14   44                                       
CONECT   13   12   45                                                 
CONECT   14   10   12   15   46                                       
CONECT   15   14   16   47   48                                       
CONECT   16   15   17                                                 
CONECT   17   16   19   18   62                                       
CONECT   17   63                                                      
CONECT   18   17   49                                                 
CONECT   19   17   50                                                 
CONECT   20    1    3   64                                            
CONECT   21    1    1    4                                            
CONECT   22   23    1   51                                            
CONECT   23   24   24   28   22                                       
CONECT   24   25   29   23   23                                       
CONECT   25   32   32   26   24                                       
CONECT   26   39   39   25   27                                       
CONECT   27   26   28   28   52                                       
CONECT   28   27   27   23   53                                       
CONECT   29   30   30   24   54                                       
CONECT   30   31   29   29   55                                       
CONECT   31   33   33   32   30                                       
CONECT   32   37   31   25   25                                       
CONECT   33   35   34   31   31                                       
CONECT   34   33   56   57                                            
CONECT   35   36   36   33   58                                       
CONECT   36   35   35   37   59                                       
CONECT   37   36   38   38   32                                       
CONECT   38   37   37   39   60                                       
CONECT   39   38   26   26   61                                       
CONECT   40    7                                                      
CONECT   41    9                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   22                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
CONECT   56   34                                                      
CONECT   57   34                                                      
CONECT   58   35                                                      
CONECT   59   36                                                      
CONECT   60   38                                                      
CONECT   61   39                                                      
CONECT   62   17   65                                                 
CONECT   63   17                                                      
CONECT   64   20                                                      
CONECT   65   62                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
