COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.024  -2.649  -0.583  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.409  -2.781   0.233  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.495  -0.458   0.961  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.694   2.182  -1.320  1.00  0.00           C  
HETATM    5  C   UNL     1       3.946   1.942   1.424  1.00  0.00           C  
HETATM    6  C   UNL     1       3.736   3.305   0.772  1.00  0.00           C  
HETATM    7  C   UNL     1       2.855   3.160  -0.472  1.00  0.00           C  
HETATM    8  C   UNL     1       2.590   4.540  -1.077  1.00  0.00           C  
HETATM    9  C   UNL     1       4.115   0.637  -0.706  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.020  -2.145   0.463  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.402  -1.645   0.568  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.170   1.022  -0.872  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.121   3.153  -0.382  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.478   1.730   1.356  1.00  0.00           C  
HETATM   15  C   UNL     1       4.853   1.067   0.564  1.00  0.00           C  
HETATM   16  C   UNL     1       6.392  -0.764   1.029  1.00  0.00           C  
HETATM   17  C   UNL     1       6.785  -1.958   1.793  1.00  0.00           C  
HETATM   18  C   UNL     1       7.918  -2.592   1.501  1.00  0.00           C  
HETATM   19  C   UNL     1       8.320  -3.815   2.283  1.00  0.00           C  
HETATM   20  N   UNL     1      -6.064   0.801   0.475  1.00  0.00           N  
HETATM   21  N   UNL     1      -7.000   2.898   0.936  1.00  0.00           N  
HETATM   22  N   UNL     1       5.245  -0.122   1.325  1.00  0.00           N  
HETATM   23  O   UNL     1       4.545   2.122   2.709  1.00  0.00           O  
HETATM   24  O   UNL     1       3.101   4.184   1.703  1.00  0.00           O  
HETATM   25  O   UNL     1       3.834   5.194  -1.334  1.00  0.00           O  
HETATM   26  O   UNL     1       2.907  -0.039  -0.352  1.00  0.00           O  
HETATM   27  O   UNL     1       0.835  -1.634  -0.629  1.00  0.00           O  
HETATM   28  O   UNL     1      -1.722  -2.142  -0.284  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.605  -3.892   1.109  1.00  0.00           O  
HETATM   30  O   UNL     1      -7.239  -2.020   1.664  1.00  0.00           O  
HETATM   31  O   UNL     1      -6.376   1.513   2.548  1.00  0.00           O  
HETATM   32  O   UNL     1      -7.593   4.210  -0.763  1.00  0.00           O  
HETATM   33  O   UNL     1      -4.234  -0.725   0.310  1.00  0.00           O  
HETATM   34  O   UNL     1      -0.689  -2.098  -2.587  1.00  0.00           O  
HETATM   35  O   UNL     1      -0.101  -4.046  -1.094  1.00  0.00           O  
HETATM   36  O   UNL     1       3.232  -2.461  -1.321  1.00  0.00           O  
HETATM   37  O   UNL     1       2.030  -0.671  -2.633  1.00  0.00           O  
HETATM   38  O   UNL     1       7.103  -0.356   0.130  1.00  0.00           O  
HETATM   39  P   UNL     1       2.246  -1.190  -1.264  1.00  0.00           P  
HETATM   40  P   UNL     1      -0.425  -2.472  -1.179  1.00  0.00           P  
HETATM   41  S   UNL     1       3.719   2.116  -1.684  1.00  0.00           S  
HETATM   42  H   UNL     1      -3.001  -3.739  -0.568  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.329  -2.305  -1.571  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.520  -3.090  -0.807  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.365  -0.422   2.043  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.783   2.369  -2.380  1.00  0.00           H  
HETATM   47  H   UNL     1       2.981   1.449   1.544  1.00  0.00           H  
HETATM   48  H   UNL     1       4.702   3.721   0.483  1.00  0.00           H  
HETATM   49  H   UNL     1       1.910   2.693  -0.197  1.00  0.00           H  
HETATM   50  H   UNL     1       2.039   4.428  -2.010  1.00  0.00           H  
HETATM   51  H   UNL     1       2.004   5.136  -0.377  1.00  0.00           H  
HETATM   52  H   UNL     1       4.749  -0.030  -1.289  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.661  -2.370   1.467  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.003  -1.393  -0.305  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.836   0.271  -1.572  1.00  0.00           H  
HETATM   56  H   UNL     1       5.745   1.631   0.291  1.00  0.00           H  
HETATM   57  H   UNL     1       6.155  -2.320   2.591  1.00  0.00           H  
HETATM   58  H   UNL     1       8.549  -2.230   0.702  1.00  0.00           H  
HETATM   59  H   UNL     1       9.269  -4.194   1.903  1.00  0.00           H  
HETATM   60  H   UNL     1       8.429  -3.553   3.336  1.00  0.00           H  
HETATM   61  H   UNL     1       7.554  -4.583   2.177  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.293   3.557   1.585  1.00  0.00           H  
HETATM   63  H   UNL     1       4.678  -0.448   2.042  1.00  0.00           H  
HETATM   64  H   UNL     1       4.020   2.661   3.315  1.00  0.00           H  
HETATM   65  H   UNL     1       2.935   5.071   1.356  1.00  0.00           H  
HETATM   66  H   UNL     1       3.742   6.076  -1.719  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.484  -4.292   1.047  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.787  -2.798   1.492  1.00  0.00           H  
HETATM   69  H   UNL     1       0.083  -4.362  -0.199  1.00  0.00           H  
HETATM   70  H   UNL     1       3.419  -2.854  -0.457  1.00  0.00           H  
CONECT    1   28   10   42   43                                       
CONECT    2   10   29   11   44                                       
CONECT    3   33   20   11   45                                       
CONECT    4   12   12   13   46                                       
CONECT    5   15    6   23   47                                       
CONECT    6    7    5   24   48                                       
CONECT    7    8   41    6   49                                       
CONECT    8   25    7   50   51                                       
CONECT    9   41   15   26   52                                       
CONECT   10   33    1    2   53                                       
CONECT   11    3    2   30   54                                       
CONECT   12   20    4    4   55                                       
CONECT   13   21   32   32    4                                       
CONECT   14   31   31   20   21                                       
CONECT   15    9   22    5   56                                       
CONECT   16   38   38   22   17                                       
CONECT   17   16   18   18   57                                       
CONECT   18   17   17   19   58                                       
CONECT   19   18   59   60   61                                       
CONECT   20   14    3   12                                            
CONECT   21   14   13   62                                            
CONECT   22   16   15   63                                            
CONECT   23    5   64                                                 
CONECT   24    6   65                                                 
CONECT   25    8   66                                                 
CONECT   26    9   39                                                 
CONECT   27   40   39                                                 
CONECT   28   40    1                                                 
CONECT   29    2   67                                                 
CONECT   30   11   68                                                 
CONECT   31   14   14                                                 
CONECT   32   13   13                                                 
CONECT   33   10    3                                                 
CONECT   34   40   40                                                 
CONECT   35   40   69                                                 
CONECT   36   39   70                                                 
CONECT   37   39   39                                                 
CONECT   38   16   16                                                 
CONECT   39   27   37   37   26                                       
CONECT   39   36                                                      
CONECT   40   34   34   28   35                                       
CONECT   40   27                                                      
CONECT   41    7    9                                                 
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   15                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
