COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       4.980   0.186   0.613  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.159  -3.396   0.488  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.679  -2.149  -0.219  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.697  -1.356  -0.444  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.621  -0.016  -1.128  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.959  -1.994   0.090  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.798  -0.959   0.842  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.771  -2.601  -1.056  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.259  -4.560  -0.500  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.211  -3.754   1.634  1.00  0.00           C  
HETATM   11  C   UNL     1       7.523  -3.446   1.313  1.00  0.00           C  
HETATM   12  C   UNL     1       6.031   1.286   0.345  1.00  0.00           C  
HETATM   13  C   UNL     1       5.216   2.599   0.376  1.00  0.00           C  
HETATM   14  C   UNL     1       6.091  -2.047   0.184  1.00  0.00           C  
HETATM   15  C   UNL     1       3.770   2.136   0.659  1.00  0.00           C  
HETATM   16  C   UNL     1       6.069  -2.954  -0.890  1.00  0.00           C  
HETATM   17  C   UNL     1       2.774   2.994  -0.125  1.00  0.00           C  
HETATM   18  C   UNL     1       6.822  -4.135  -0.775  1.00  0.00           C  
HETATM   19  C   UNL     1       4.790  -1.288  -1.426  1.00  0.00           C  
HETATM   20  N   UNL     1       7.530  -4.331   0.333  1.00  0.00           N  
HETATM   21  N   UNL     1      -6.501  -3.056   1.017  1.00  0.00           N  
HETATM   22  N   UNL     1       6.825  -2.332   1.255  1.00  0.00           N  
HETATM   23  N   UNL     1       6.840  -5.066  -1.800  1.00  0.00           N  
HETATM   24  N   UNL     1       5.257  -2.430  -1.839  1.00  0.00           N  
HETATM   25  N   UNL     1       5.275  -1.007  -0.184  1.00  0.00           N  
HETATM   26  O   UNL     1       0.192   3.234  -1.869  1.00  0.00           O  
HETATM   27  O   UNL     1      -3.346   3.974  -0.412  1.00  0.00           O  
HETATM   28  O   UNL     1       7.025   1.289   1.372  1.00  0.00           O  
HETATM   29  O   UNL     1       0.094   4.877   0.043  1.00  0.00           O  
HETATM   30  O   UNL     1      -2.736   1.911  -1.732  1.00  0.00           O  
HETATM   31  O   UNL     1       5.685   3.454   1.420  1.00  0.00           O  
HETATM   32  O   UNL     1      -1.186   2.583   0.143  1.00  0.00           O  
HETATM   33  O   UNL     1       3.724   0.767   0.201  1.00  0.00           O  
HETATM   34  O   UNL     1       1.441   2.628   0.238  1.00  0.00           O  
HETATM   35  O   UNL     1      -7.393  -4.214   0.968  1.00  0.00           O  
HETATM   36  P   UNL     1       0.136   3.328  -0.394  1.00  0.00           P  
HETATM   37  P   UNL     1      -2.708   2.497  -0.373  1.00  0.00           P  
HETATM   38  S   UNL     1      -3.833   1.276   0.946  1.00  0.00           S  
HETATM   39  S   UNL     1      -5.707   1.303   0.114  1.00  0.00           S  
HETATM   40  H   UNL     1       4.952  -0.063   1.674  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.656  -1.944  -0.495  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.681   0.060  -1.675  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.455   0.084  -1.823  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.067  -0.148   0.166  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.704  -1.432   1.221  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.221  -0.560   1.676  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.134  -3.264  -1.641  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.607  -3.169  -0.647  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.151  -1.804  -1.695  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.281  -4.741  -0.948  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.589  -5.456   0.025  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.976  -4.312  -1.283  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.223  -3.979   1.231  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.140  -2.913   2.323  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.594  -4.626   2.164  1.00  0.00           H  
HETATM   56  H   UNL     1       8.109  -3.647   2.198  1.00  0.00           H  
HETATM   57  H   UNL     1       6.491   1.144  -0.632  1.00  0.00           H  
HETATM   58  H   UNL     1       5.274   3.106  -0.587  1.00  0.00           H  
HETATM   59  H   UNL     1       3.556   2.189   1.726  1.00  0.00           H  
HETATM   60  H   UNL     1       2.938   4.046   0.108  1.00  0.00           H  
HETATM   61  H   UNL     1       2.917   2.831  -1.193  1.00  0.00           H  
HETATM   62  H   UNL     1       4.117  -0.655  -1.986  1.00  0.00           H  
HETATM   63  H   UNL     1       6.328  -4.906  -2.608  1.00  0.00           H  
HETATM   64  H   UNL     1       7.363  -5.877  -1.709  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.361   4.419   0.446  1.00  0.00           H  
HETATM   66  H   UNL     1       7.710   1.961   1.254  1.00  0.00           H  
HETATM   67  H   UNL     1       0.057   5.015   1.000  1.00  0.00           H  
HETATM   68  H   UNL     1       6.608   3.726   1.322  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.082  -4.972   1.482  1.00  0.00           H  
CONECT    1   25   33   12   40                                       
CONECT    2   10    9    3   21                                       
CONECT    3    2    4    4   41                                       
CONECT    4    3    3    5    6                                       
CONECT    5   39    4   42   43                                       
CONECT    6   21    4    7    8                                       
CONECT    7    6   44   45   46                                       
CONECT    8    6   47   48   49                                       
CONECT    9    2   50   51   52                                       
CONECT   10    2   53   54   55                                       
CONECT   11   20   20   22   56                                       
CONECT   12    1   28   13   57                                       
CONECT   13   12   31   15   58                                       
CONECT   14   22   22   16   25                                       
CONECT   15   33   13   17   59                                       
CONECT   16   18   18   14   24                                       
CONECT   17   15   34   60   61                                       
CONECT   18   20   23   16   16                                       
CONECT   19   24   24   25   62                                       
CONECT   20   11   11   18                                            
CONECT   21    2   35    6                                            
CONECT   22   11   14   14                                            
CONECT   23   18   63   64                                            
CONECT   24   16   19   19                                            
CONECT   25   14   19    1                                            
CONECT   26   36   36                                                 
CONECT   27   37   65                                                 
CONECT   28   12   66                                                 
CONECT   29   36   67                                                 
CONECT   30   37   37                                                 
CONECT   31   13   68                                                 
CONECT   32   36   37                                                 
CONECT   33    1   15                                                 
CONECT   34   17   36                                                 
CONECT   35   21   69                                                 
CONECT   36   34   26   26   29                                       
CONECT   36   32                                                      
CONECT   37   32   30   30   27                                       
CONECT   37   38                                                      
CONECT   38   37   39                                                 
CONECT   39   38    5                                                 
CONECT   40    1                                                      
CONECT   41    3                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   15                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   19                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   31                                                      
CONECT   69   35                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
