COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -0.622   1.325   2.707  1.00  0.00           P  
HETATM    2  O   UNL     1      -1.719   2.235   2.309  1.00  0.00           O  
HETATM    3  O   UNL     1       0.688   2.189   3.062  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.247   0.187   1.334  1.00  0.00           C  
HETATM    5  P   UNL     1       0.261   1.148  -0.129  1.00  0.00           P  
HETATM    6  O   UNL     1       1.466   1.942   0.196  1.00  0.00           O  
HETATM    7  O   UNL     1      -0.932   2.137  -0.563  1.00  0.00           O  
HETATM    8  O   UNL     1       0.592   0.143  -1.342  1.00  0.00           O  
HETATM    9  P   UNL     1       1.032   1.054  -2.594  1.00  0.00           P  
HETATM   10  O   UNL     1       2.226   1.850  -2.230  1.00  0.00           O  
HETATM   11  S   UNL     1      -0.556   2.359  -3.111  1.00  0.00           S  
HETATM   12  O   UNL     1      -1.071   0.477   4.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.350   1.420   5.037  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.785   0.675   6.300  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.726  -0.190   6.763  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.018   1.668   7.460  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.409   1.968   7.591  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.506   0.915   8.710  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.564   0.729   9.651  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.021  -0.442   8.154  1.00  0.00           C  
HETATM   21  O   UNL     1       1.380   0.109  -3.850  1.00  0.00           O  
HETATM   22  C   UNL     1       1.761   0.971  -4.924  1.00  0.00           C  
HETATM   23  C   UNL     1       2.106   0.132  -6.155  1.00  0.00           C  
HETATM   24  O   UNL     1       0.953  -0.614  -6.577  1.00  0.00           O  
HETATM   25  C   UNL     1       2.511   1.054  -7.322  1.00  0.00           C  
HETATM   26  O   UNL     1       3.846   0.774  -7.748  1.00  0.00           O  
HETATM   27  C   UNL     1       1.499   0.707  -8.444  1.00  0.00           C  
HETATM   28  O   UNL     1       2.147   0.657  -9.717  1.00  0.00           O  
HETATM   29  C   UNL     1       1.010  -0.700  -8.017  1.00  0.00           C  
HETATM   30  N   UNL     1      -0.317  -0.978  -8.571  1.00  0.00           N  
HETATM   31  C   UNL     1      -1.512  -0.623  -8.019  1.00  0.00           C  
HETATM   32  N   UNL     1      -2.489  -1.029  -8.775  1.00  0.00           N  
HETATM   33  C   UNL     1      -1.986  -1.669  -9.858  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.546  -2.299 -10.982  1.00  0.00           C  
HETATM   35  N   UNL     1      -3.918  -2.354 -11.153  1.00  0.00           N  
HETATM   36  N   UNL     1      -1.726  -2.841 -11.878  1.00  0.00           N  
HETATM   37  C   UNL     1      -0.416  -2.792 -11.723  1.00  0.00           C  
HETATM   38  N   UNL     1       0.152  -2.213 -10.687  1.00  0.00           N  
HETATM   39  C   UNL     1      -0.586  -1.639  -9.743  1.00  0.00           C  
HETATM   40  N   UNL     1       0.184  -0.881   8.860  1.00  0.00           N  
HETATM   41  C   UNL     1       1.470  -0.574   8.527  1.00  0.00           C  
HETATM   42  N   UNL     1       2.292  -1.130   9.369  1.00  0.00           N  
HETATM   43  C   UNL     1       1.588  -1.823  10.296  1.00  0.00           C  
HETATM   44  C   UNL     1       1.927  -2.608  11.411  1.00  0.00           C  
HETATM   45  N   UNL     1       3.251  -2.794  11.770  1.00  0.00           N  
HETATM   46  N   UNL     1       0.947  -3.164  12.115  1.00  0.00           N  
HETATM   47  C   UNL     1      -0.318  -2.993  11.780  1.00  0.00           C  
HETATM   48  N   UNL     1      -0.682  -2.271  10.741  1.00  0.00           N  
HETATM   49  C   UNL     1       0.227  -1.676   9.977  1.00  0.00           C  
HETATM   50  H   UNL     1       1.377   1.560   3.316  1.00  0.00           H  
HETATM   51  H   UNL     1       0.560  -0.482   1.627  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.135  -0.397   1.094  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.696   1.581  -0.766  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.513   1.459  -3.399  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.150   2.087   4.715  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.454   2.002   5.249  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.690   0.098   6.107  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.445   2.582   7.301  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.493   2.590   8.326  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.678   1.455   9.169  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.863   1.610   9.914  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.807  -1.192   8.246  1.00  0.00           H  
HETATM   63  H   UNL     1       0.935   1.642  -5.161  1.00  0.00           H  
HETATM   64  H   UNL     1       2.631   1.557  -4.628  1.00  0.00           H  
HETATM   65  H   UNL     1       2.924  -0.550  -5.921  1.00  0.00           H  
HETATM   66  H   UNL     1       2.416   2.100  -7.031  1.00  0.00           H  
HETATM   67  H   UNL     1       4.019   1.338  -8.515  1.00  0.00           H  
HETATM   68  H   UNL     1       0.673   1.418  -8.458  1.00  0.00           H  
HETATM   69  H   UNL     1       2.426   1.559  -9.924  1.00  0.00           H  
HETATM   70  H   UNL     1       1.722  -1.464  -8.328  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.629  -0.084  -7.090  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.292  -2.793 -11.933  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.505  -1.955 -10.492  1.00  0.00           H  
HETATM   74  H   UNL     1       0.212  -3.245 -12.475  1.00  0.00           H  
HETATM   75  H   UNL     1       1.763   0.039   7.689  1.00  0.00           H  
HETATM   76  H   UNL     1       3.472  -3.335  12.544  1.00  0.00           H  
HETATM   77  H   UNL     1       3.957  -2.386  11.245  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.083  -3.463  12.380  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    1   12                                                      
CONECT    2    1    1                                                 
CONECT    3    1   50                                                 
CONECT    4    1    5   51   52                                       
CONECT    5    4    6    6    7                                       
CONECT    5    8                                                      
CONECT    6    5    5                                                 
CONECT    7    5   53                                                 
CONECT    8    5    9                                                 
CONECT    9    8   10   10   11                                       
CONECT    9   21                                                      
CONECT   10    9    9                                                 
CONECT   11    9   54                                                 
CONECT   12    1   13                                                 
CONECT   13   12   14   55   56                                       
CONECT   14   13   15   16   57                                       
CONECT   15   14   20                                                 
CONECT   16   14   17   18   58                                       
CONECT   17   16   59                                                 
CONECT   18   16   19   20   60                                       
CONECT   19   18   61                                                 
CONECT   20   15   18   40   62                                       
CONECT   21    9   22                                                 
CONECT   22   21   23   63   64                                       
CONECT   23   22   24   25   65                                       
CONECT   24   23   29                                                 
CONECT   25   23   26   27   66                                       
CONECT   26   25   67                                                 
CONECT   27   25   28   29   68                                       
CONECT   28   27   69                                                 
CONECT   29   24   27   30   70                                       
CONECT   30   29   31   39                                            
CONECT   31   30   32   32   71                                       
CONECT   32   31   31   33                                            
CONECT   33   32   34   39   39                                       
CONECT   34   33   35   36   36                                       
CONECT   35   34   72   73                                            
CONECT   36   34   34   37                                            
CONECT   37   36   38   38   74                                       
CONECT   38   37   37   39                                            
CONECT   39   30   33   33   38                                       
CONECT   40   20   41   49                                            
CONECT   41   40   42   42   75                                       
CONECT   42   41   41   43                                            
CONECT   43   42   44   49   49                                       
CONECT   44   43   45   46   46                                       
CONECT   45   44   76   77                                            
CONECT   46   44   44   47                                            
CONECT   47   46   48   48   78                                       
CONECT   48   47   47   49                                            
CONECT   49   40   43   43   48                                       
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    7                                                      
CONECT   54   11                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   31                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   37                                                      
CONECT   75   41                                                      
CONECT   76   45                                                      
CONECT   77   45                                                      
CONECT   78   47                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
