COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.773  -0.736   3.369  1.00  0.00           N  
HETATM    2  N   UNL     1       3.826  -2.543  -0.065  1.00  0.00           N  
HETATM    3  C   UNL     1       4.056  -0.257   2.379  1.00  0.00           C  
HETATM    4  C   UNL     1       2.717   1.890   0.920  1.00  0.00           C  
HETATM    5  C   UNL     1       1.794   2.607  -0.067  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.593   0.031  -0.818  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.049  -1.097   0.109  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.055  -1.679   1.363  1.00  0.00           C  
HETATM    9  C   UNL     1       6.608  -0.275  -0.049  1.00  0.00           C  
HETATM   10  C   UNL     1       6.082  -2.302  -0.816  1.00  0.00           C  
HETATM   11  C   UNL     1       5.963  -3.590  -1.387  1.00  0.00           C  
HETATM   12  C   UNL     1       3.963   2.752   1.216  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.782  -1.574   2.232  1.00  0.00           C  
HETATM   14  C   UNL     1       5.327  -0.552   0.311  1.00  0.00           C  
HETATM   15  C   UNL     1       7.100  -1.370  -0.762  1.00  0.00           C  
HETATM   16  C   UNL     1       3.782  -3.726  -0.614  1.00  0.00           C  
HETATM   17  C   UNL     1       5.111   1.725   1.334  1.00  0.00           C  
HETATM   18  C   UNL     1       4.423   0.363   1.095  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.562  -1.357  -0.065  1.00  0.00           C  
HETATM   20  N   UNL     1       4.995  -1.774  -0.146  1.00  0.00           N  
HETATM   21  N   UNL     1       4.822  -4.248  -1.263  1.00  0.00           N  
HETATM   22  N   UNL     1       7.024  -4.155  -2.065  1.00  0.00           N  
HETATM   23  O   UNL     1       3.800   3.464   2.445  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.462   0.938  -3.140  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.911   2.619  -1.311  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.050   2.312  -2.764  1.00  0.00           O  
HETATM   27  O   UNL     1      -1.048   3.636  -0.861  1.00  0.00           O  
HETATM   28  O   UNL     1       5.692   1.770   2.639  1.00  0.00           O  
HETATM   29  O   UNL     1       3.235   0.676   0.333  1.00  0.00           O  
HETATM   30  O   UNL     1       0.611   1.830  -0.265  1.00  0.00           O  
HETATM   31  O   UNL     1      -1.803   1.242  -1.123  1.00  0.00           O  
HETATM   32  O   UNL     1      -4.174   0.177  -0.727  1.00  0.00           O  
HETATM   33  O   UNL     1      -5.900  -0.703   1.491  1.00  0.00           O  
HETATM   34  O   UNL     1      -7.094  -1.001   3.504  1.00  0.00           O  
HETATM   35  O   UNL     1      -8.594  -3.001   1.422  1.00  0.00           O  
HETATM   36  O   UNL     1      -7.781  -2.472  -0.933  1.00  0.00           O  
HETATM   37  P   UNL     1      -0.583   2.285  -1.245  1.00  0.00           P  
HETATM   38  P   UNL     1      -3.350   1.274  -1.570  1.00  0.00           P  
HETATM   39  H   UNL     1       2.182   1.666   1.844  1.00  0.00           H  
HETATM   40  H   UNL     1       1.524   3.585   0.333  1.00  0.00           H  
HETATM   41  H   UNL     1       2.309   2.734  -1.019  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.868  -0.210  -1.845  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.074   0.963  -0.521  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.482  -2.006  -0.091  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.799  -0.949   1.686  1.00  0.00           H  
HETATM   46  H   UNL     1       7.150   0.631   0.176  1.00  0.00           H  
HETATM   47  H   UNL     1       4.153   3.444   0.395  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.328  -2.556   2.359  1.00  0.00           H  
HETATM   49  H   UNL     1       8.087  -1.470  -1.188  1.00  0.00           H  
HETATM   50  H   UNL     1       2.872  -4.302  -0.540  1.00  0.00           H  
HETATM   51  H   UNL     1       5.868   1.909   0.571  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.061  -0.468  -0.451  1.00  0.00           H  
HETATM   53  H   UNL     1       7.859  -3.667  -2.152  1.00  0.00           H  
HETATM   54  H   UNL     1       6.937  -5.039  -2.454  1.00  0.00           H  
HETATM   55  H   UNL     1       4.577   3.975   2.709  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.112   0.070  -3.383  1.00  0.00           H  
HETATM   57  H   UNL     1       0.272   1.458  -3.083  1.00  0.00           H  
HETATM   58  H   UNL     1       6.086   2.624   2.864  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.331  -0.911   4.092  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.864  -3.276   2.309  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.715  -2.680  -1.077  1.00  0.00           H  
CONECT    1    3    3    3                                            
CONECT    2   20   16   16                                            
CONECT    3   18    1    1    1                                       
CONECT    4   29    5   12   39                                       
CONECT    5    4   30   40   41                                       
CONECT    6   32    7   42   43                                       
CONECT    7    6   19   33   44                                       
CONECT    8   19   13   35   45                                       
CONECT    9   14   14   15   46                                       
CONECT   10   15   15   20   11                                       
CONECT   11   21   21   22   10                                       
CONECT   12   23   17    4   47                                       
CONECT   13    8   33   34   48                                       
CONECT   14   18    9    9   20                                       
CONECT   15    9   10   10   49                                       
CONECT   16    2    2   21   50                                       
CONECT   17   12   18   28   51                                       
CONECT   18   17    3   29   14                                       
CONECT   19    7    8   36   52                                       
CONECT   20   10    2   14                                            
CONECT   21   16   11   11                                            
CONECT   22   11   53   54                                            
CONECT   23   12   55                                                 
CONECT   24   38   56                                                 
CONECT   25   38   38                                                 
CONECT   26   37   57                                                 
CONECT   27   37   37                                                 
CONECT   28   17   58                                                 
CONECT   29   18    4                                                 
CONECT   30    5   37                                                 
CONECT   31   37   38                                                 
CONECT   32   38    6                                                 
CONECT   33   13    7                                                 
CONECT   34   13   59                                                 
CONECT   35    8   60                                                 
CONECT   36   19   61                                                 
CONECT   37   30   31   26   27                                       
CONECT   37   27                                                      
CONECT   38   31   32   24   25                                       
CONECT   38   25                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   19                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   26                                                      
CONECT   58   28                                                      
CONECT   59   34                                                      
CONECT   60   35                                                      
CONECT   61   36                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
