COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.745  -0.273  -0.218  1.00  0.00           C  
HETATM    2  C   UNL     1       2.044   2.556   0.334  1.00  0.00           C  
HETATM    3  C   UNL     1       3.432   3.381   2.102  1.00  0.00           C  
HETATM    4  C   UNL     1       3.771   4.474   1.326  1.00  0.00           C  
HETATM    5  C   UNL     1       3.242   4.610   0.056  1.00  0.00           C  
HETATM    6  C   UNL     1       2.383   3.649  -0.442  1.00  0.00           C  
HETATM    7  C   UNL     1       3.667  -4.363  -0.364  1.00  0.00           C  
HETATM    8  C   UNL     1       2.262  -3.826  -0.457  1.00  0.00           C  
HETATM    9  O   UNL     1       1.373  -4.526  -0.895  1.00  0.00           O  
HETATM   10  N   UNL     1       1.993  -2.568  -0.054  1.00  0.00           N  
HETATM   11  C   UNL     1       3.070  -1.655   0.364  1.00  0.00           C  
HETATM   12  N   UNL     1       1.472   0.194   0.339  1.00  0.00           N  
HETATM   13  C   UNL     1       1.108   1.508  -0.209  1.00  0.00           C  
HETATM   14  C   UNL     1       2.568   2.422   1.606  1.00  0.00           C  
HETATM   15  C   UNL     1       1.816   3.792  -1.831  1.00  0.00           C  
HETATM   16  O   UNL     1       2.363   4.958  -2.451  1.00  0.00           O  
HETATM   17  C   UNL     1       0.433  -0.724   0.172  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.876  -0.262   0.199  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.935  -1.154   0.042  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.681  -2.513  -0.141  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.381  -2.971  -0.170  1.00  0.00           C  
HETATM   22  C   UNL     1       0.675  -2.083  -0.016  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.331  -0.658   0.071  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.605   0.713   0.132  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.862   1.114   0.156  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.856   0.238   0.122  1.00  0.00           C  
HETATM   27  N   UNL     1      -5.638  -1.068   0.064  1.00  0.00           N  
HETATM   28  C   UNL     1      -4.411  -1.549   0.032  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.254   0.734   0.150  1.00  0.00           C  
HETATM   30  N   UNL     1      -8.280  -0.139   0.117  1.00  0.00           N  
HETATM   31  O   UNL     1      -7.474   1.928   0.204  1.00  0.00           O  
HETATM   32  C   UNL     1       4.412  -2.148  -0.182  1.00  0.00           C  
HETATM   33  C   UNL     1       5.646  -1.287   0.095  1.00  0.00           C  
HETATM   34  C   UNL     1       5.458  -2.614   0.832  1.00  0.00           C  
HETATM   35  H   UNL     1       3.537   0.429   0.045  1.00  0.00           H  
HETATM   36  H   UNL     1       2.664  -0.342  -1.303  1.00  0.00           H  
HETATM   37  H   UNL     1       3.845   3.274   3.094  1.00  0.00           H  
HETATM   38  H   UNL     1       4.449   5.220   1.712  1.00  0.00           H  
HETATM   39  H   UNL     1       3.507   5.464  -0.550  1.00  0.00           H  
HETATM   40  H   UNL     1       4.146  -3.973   0.535  1.00  0.00           H  
HETATM   41  H   UNL     1       3.638  -5.451  -0.317  1.00  0.00           H  
HETATM   42  H   UNL     1       4.234  -4.052  -1.241  1.00  0.00           H  
HETATM   43  H   UNL     1       3.109  -1.600   1.452  1.00  0.00           H  
HETATM   44  H   UNL     1       0.085   1.750   0.078  1.00  0.00           H  
HETATM   45  H   UNL     1       1.183   1.481  -1.296  1.00  0.00           H  
HETATM   46  H   UNL     1       2.303   1.569   2.212  1.00  0.00           H  
HETATM   47  H   UNL     1       2.074   2.912  -2.421  1.00  0.00           H  
HETATM   48  H   UNL     1       0.732   3.885  -1.773  1.00  0.00           H  
HETATM   49  H   UNL     1       2.041   5.113  -3.350  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.074   0.790   0.342  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.502  -3.206  -0.260  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.184  -4.023  -0.312  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.800   1.433   0.160  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.240  -2.614  -0.020  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.104  -1.092   0.075  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.194   0.185   0.135  1.00  0.00           H  
HETATM   57  H   UNL     1       4.367  -2.671  -1.137  1.00  0.00           H  
HETATM   58  H   UNL     1       6.413  -1.244  -0.678  1.00  0.00           H  
HETATM   59  H   UNL     1       5.502  -0.369   0.666  1.00  0.00           H  
HETATM   60  H   UNL     1       5.191  -2.571   1.888  1.00  0.00           H  
HETATM   61  H   UNL     1       6.103  -3.445   0.544  1.00  0.00           H  
CONECT    1   11   12   35   36                                       
CONECT    2   13   14   14    6                                       
CONECT    3   14    4    4   37                                       
CONECT    4    3    3    5   38                                       
CONECT    5    6    6    4   39                                       
CONECT    6    2   15    5    5                                       
CONECT    7    8   40   41   42                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   22   11                                            
CONECT   11   32   10    1   43                                       
CONECT   12   17    1   13                                            
CONECT   13   12    2   44   45                                       
CONECT   14    2    2    3   46                                       
CONECT   15   16    6   47   48                                       
CONECT   16   15   49                                                 
CONECT   17   22   22   18   12                                       
CONECT   18   19   19   17   50                                       
CONECT   19   20   23   18   18                                       
CONECT   20   21   21   19   51                                       
CONECT   21   20   20   22   52                                       
CONECT   22   21   10   17   17                                       
CONECT   23   24   19   28   28                                       
CONECT   24   25   25   23   53                                       
CONECT   25   24   24   26                                            
CONECT   26   25   29   27   27                                       
CONECT   27   26   26   28                                            
CONECT   28   23   23   27   54                                       
CONECT   29   26   30   31   31                                       
CONECT   30   29   55   56                                            
CONECT   31   29   29                                                 
CONECT   32   34   33   11   57                                       
CONECT   33   34   32   58   59                                       
CONECT   34   32   33   60   61                                       
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43   11                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   18                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   24                                                      
CONECT   54   28                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   32                                                      
CONECT   58   33                                                      
CONECT   59   33                                                      
CONECT   60   34                                                      
CONECT   61   34                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
