COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.112   2.318   0.632  1.00  0.00           C  
HETATM    2  C   UNL     1       1.392   1.553  -0.276  1.00  0.00           C  
HETATM    3  C   UNL     1       0.570   2.201  -1.222  1.00  0.00           C  
HETATM    4  C   UNL     1       2.556   0.240   1.039  1.00  0.00           C  
HETATM    5  N   UNL     1       0.503   3.549  -1.223  1.00  0.00           N  
HETATM    6  N   UNL     1       2.005   3.698   0.577  1.00  0.00           N  
HETATM    7  N   UNL     1      -7.286  -2.456   0.819  1.00  0.00           N  
HETATM    8  C   UNL     1      -7.367  -1.002   0.626  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.694  -0.651   0.004  1.00  0.00           C  
HETATM   10  O   UNL     1      -9.331  -1.497  -0.577  1.00  0.00           O  
HETATM   11  C   UNL     1      -6.234  -0.547  -0.297  1.00  0.00           C  
HETATM   12  C   UNL     1       1.205   4.277  -0.338  1.00  0.00           C  
HETATM   13  C   UNL     1       4.123   4.867   0.933  1.00  0.00           C  
HETATM   14  C   UNL     1     -10.452   0.868  -0.526  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.299  -2.658   1.602  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.115  -2.271   1.002  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.502  -2.153   1.151  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.321  -0.854  -0.506  1.00  0.00           C  
HETATM   19  C   UNL     1       5.620  -1.559   1.442  1.00  0.00           C  
HETATM   20  C   UNL     1       2.753   4.528   1.524  1.00  0.00           C  
HETATM   21  C   UNL     1       7.734  -2.263  -2.032  1.00  0.00           C  
HETATM   22  C   UNL     1       8.260  -2.999  -0.796  1.00  0.00           C  
HETATM   23  C   UNL     1       6.201  -2.380  -2.065  1.00  0.00           C  
HETATM   24  C   UNL     1       7.868  -2.224   0.466  1.00  0.00           C  
HETATM   25  C   UNL     1       3.151  -0.988   1.679  1.00  0.00           C  
HETATM   26  C   UNL     1       1.171  -0.945  -0.689  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.805  -0.705  -0.401  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.126  -1.371  -0.050  1.00  0.00           C  
HETATM   29  C   UNL     1       4.386  -1.401   0.921  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.521  -1.250   0.087  1.00  0.00           C  
HETATM   31  C   UNL     1       5.672  -1.997  -0.703  1.00  0.00           C  
HETATM   32  N   UNL     1       1.692   0.235   0.005  1.00  0.00           N  
HETATM   33  N   UNL     1       2.800   1.473   1.405  1.00  0.00           N  
HETATM   34  N   UNL     1       4.450  -1.677  -0.392  1.00  0.00           N  
HETATM   35  N   UNL     1      -4.950  -0.993   0.248  1.00  0.00           N  
HETATM   36  N   UNL     1       6.434  -1.931   0.414  1.00  0.00           N  
HETATM   37  O   UNL     1       1.124   5.490  -0.371  1.00  0.00           O  
HETATM   38  O   UNL     1      -0.071   1.552  -2.029  1.00  0.00           O  
HETATM   39  O   UNL     1      -3.829   0.004  -1.388  1.00  0.00           O  
HETATM   40  O   UNL     1      -9.167   0.601   0.096  1.00  0.00           O  
HETATM   41  H   UNL     1      -0.061   3.999  -1.872  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.984  -2.773   1.476  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.370  -2.943  -0.061  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.273  -0.502   1.590  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.378  -0.978  -1.288  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.240   0.540  -0.370  1.00  0.00           H  
HETATM   47  H   UNL     1       4.674   3.947   0.742  1.00  0.00           H  
HETATM   48  H   UNL     1       3.990   5.412  -0.002  1.00  0.00           H  
HETATM   49  H   UNL     1       4.680   5.485   1.637  1.00  0.00           H  
HETATM   50  H   UNL     1     -11.214   0.233  -0.074  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.717   1.915  -0.378  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.389   0.656  -1.594  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.284  -3.361   2.422  1.00  0.00           H  
HETATM   54  H   UNL     1       0.823  -2.673   1.355  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.426  -2.457   1.620  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.328  -0.152  -1.327  1.00  0.00           H  
HETATM   57  H   UNL     1       5.907  -1.413   2.472  1.00  0.00           H  
HETATM   58  H   UNL     1       2.202   5.449   1.715  1.00  0.00           H  
HETATM   59  H   UNL     1       2.886   3.984   2.459  1.00  0.00           H  
HETATM   60  H   UNL     1       8.018  -1.211  -1.992  1.00  0.00           H  
HETATM   61  H   UNL     1       8.153  -2.720  -2.928  1.00  0.00           H  
HETATM   62  H   UNL     1       7.828  -3.999  -0.757  1.00  0.00           H  
HETATM   63  H   UNL     1       9.346  -3.075  -0.854  1.00  0.00           H  
HETATM   64  H   UNL     1       5.796  -1.699  -2.814  1.00  0.00           H  
HETATM   65  H   UNL     1       5.915  -3.404  -2.306  1.00  0.00           H  
HETATM   66  H   UNL     1       8.086  -2.827   1.348  1.00  0.00           H  
HETATM   67  H   UNL     1       8.430  -1.291   0.512  1.00  0.00           H  
HETATM   68  H   UNL     1       3.416  -0.767   2.713  1.00  0.00           H  
HETATM   69  H   UNL     1       2.422  -1.799   1.656  1.00  0.00           H  
HETATM   70  H   UNL     1       1.894  -1.758  -0.618  1.00  0.00           H  
HETATM   71  H   UNL     1       0.997  -0.703  -1.737  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.924  -1.497   1.077  1.00  0.00           H  
CONECT    1    6    2    2   33                                       
CONECT    2    1    1    3   32                                       
CONECT    3    5    2   38   38                                       
CONECT    4   33   33   32   25                                       
CONECT    5   12    3   41                                            
CONECT    6   20   12    1                                            
CONECT    7    8   42   43                                            
CONECT    8    9    7   11   44                                       
CONECT    9   40    8   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    8   35   45   46                                       
CONECT   12   37   37    6    5                                       
CONECT   13   20   47   48   49                                       
CONECT   14   40   50   51   52                                       
CONECT   15   17   16   16   53                                       
CONECT   16   15   15   28   54                                       
CONECT   17   30   30   15   55                                       
CONECT   18   30   28   28   56                                       
CONECT   19   36   29   29   57                                       
CONECT   20    6   13   58   59                                       
CONECT   21   22   23   60   61                                       
CONECT   22   24   21   62   63                                       
CONECT   23   21   31   64   65                                       
CONECT   24   22   36   66   67                                       
CONECT   25   29    4   68   69                                       
CONECT   26   28   32   70   71                                       
CONECT   27   35   39   39   30                                       
CONECT   28   18   18   16   26                                       
CONECT   29   19   19   34   25                                       
CONECT   30   27   17   17   18                                       
CONECT   31   36   23   34   34                                       
CONECT   32    2    4   26                                            
CONECT   33    1    4    4                                            
CONECT   34   31   31   29                                            
CONECT   35   11   27   72                                            
CONECT   36   24   19   31                                            
CONECT   37   12   12                                                 
CONECT   38    3    3                                                 
CONECT   39   27   27                                                 
CONECT   40   14    9                                                 
CONECT   41    5                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   35                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
