COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.945  -1.742  -1.560  1.00  0.00           O  
HETATM    2  P   UNL     1      -5.585  -0.842  -0.574  1.00  0.00           P  
HETATM    3  O   UNL     1      -6.475   0.254  -1.347  1.00  0.00           O  
HETATM    4  O   UNL     1      -6.526  -1.704   0.407  1.00  0.00           O  
HETATM    5  P   UNL     1      -7.531  -2.942   0.191  1.00  0.00           P  
HETATM    6  O   UNL     1      -6.890  -3.952  -0.682  1.00  0.00           O  
HETATM    7  O   UNL     1      -7.879  -3.607   1.615  1.00  0.00           O  
HETATM    8  O   UNL     1      -8.887  -2.418  -0.502  1.00  0.00           O  
HETATM    9  O   UNL     1      -4.448  -0.098   0.289  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.392   0.661  -0.304  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.493   1.230   0.795  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.363   2.043   0.160  1.00  0.00           C  
HETATM   13  S   UNL     1      -0.128   0.943  -0.639  1.00  0.00           S  
HETATM   14  C   UNL     1       1.324   1.947  -0.144  1.00  0.00           C  
HETATM   15  C   UNL     1       2.416   1.054   0.447  1.00  0.00           C  
HETATM   16  O   UNL     1       2.093   0.741   1.804  1.00  0.00           O  
HETATM   17  C   UNL     1       3.758   1.788   0.398  1.00  0.00           C  
HETATM   18  O   UNL     1       3.984   2.279  -0.924  1.00  0.00           O  
HETATM   19  C   UNL     1       2.512  -0.240  -0.365  1.00  0.00           C  
HETATM   20  O   UNL     1       2.819   0.074  -1.725  1.00  0.00           O  
HETATM   21  C   UNL     1       3.616  -1.125   0.216  1.00  0.00           C  
HETATM   22  O   UNL     1       4.893  -0.590  -0.140  1.00  0.00           O  
HETATM   23  C   UNL     1       3.483  -2.542  -0.347  1.00  0.00           C  
HETATM   24  O   UNL     1       2.206  -3.077   0.009  1.00  0.00           O  
HETATM   25  C   UNL     1       4.587  -3.428   0.234  1.00  0.00           C  
HETATM   26  O   UNL     1       4.534  -4.718  -0.379  1.00  0.00           O  
HETATM   27  P   UNL     1       5.552  -5.908  -0.006  1.00  0.00           P  
HETATM   28  O   UNL     1       5.322  -6.352   1.524  1.00  0.00           O  
HETATM   29  O   UNL     1       5.286  -7.165  -0.976  1.00  0.00           O  
HETATM   30  O   UNL     1       6.945  -5.437  -0.179  1.00  0.00           O  
HETATM   31  N   UNL     1       0.802   2.865   0.877  1.00  0.00           N  
HETATM   32  C   UNL     1      -0.519   2.725   1.223  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.011   3.145   2.374  1.00  0.00           C  
HETATM   34  C   UNL     1       1.653   3.883   1.499  1.00  0.00           C  
HETATM   35  C   UNL     1       1.720   5.095   0.606  1.00  0.00           C  
HETATM   36  C   UNL     1       0.687   6.035   0.596  1.00  0.00           C  
HETATM   37  N   UNL     1      -0.424   5.867   1.407  1.00  0.00           N  
HETATM   38  N   UNL     1       0.787   7.093  -0.202  1.00  0.00           N  
HETATM   39  C   UNL     1       1.843   7.255  -0.974  1.00  0.00           C  
HETATM   40  C   UNL     1       1.920   8.469  -1.865  1.00  0.00           C  
HETATM   41  N   UNL     1       2.834   6.387  -0.988  1.00  0.00           N  
HETATM   42  C   UNL     1       2.806   5.307  -0.220  1.00  0.00           C  
HETATM   43  H   UNL     1      -6.925   0.879  -0.762  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.481  -4.362   1.561  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.361  -1.753   0.015  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.804   0.018  -0.958  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.816   1.480  -0.886  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.081   1.874   1.449  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.069   0.411   1.377  1.00  0.00           H  
HETATM   50  H   UNL     1       1.253   0.274   1.910  1.00  0.00           H  
HETATM   51  H   UNL     1       3.741   2.623   1.099  1.00  0.00           H  
HETATM   52  H   UNL     1       4.558   1.100   0.673  1.00  0.00           H  
HETATM   53  H   UNL     1       4.819   2.756  -1.029  1.00  0.00           H  
HETATM   54  H   UNL     1       1.561  -0.769  -0.319  1.00  0.00           H  
HETATM   55  H   UNL     1       3.702   0.446  -1.853  1.00  0.00           H  
HETATM   56  H   UNL     1       3.525  -1.156   1.301  1.00  0.00           H  
HETATM   57  H   UNL     1       5.044  -0.534  -1.093  1.00  0.00           H  
HETATM   58  H   UNL     1       3.574  -2.512  -1.433  1.00  0.00           H  
HETATM   59  H   UNL     1       2.055  -3.133   0.962  1.00  0.00           H  
HETATM   60  H   UNL     1       5.558  -2.973   0.039  1.00  0.00           H  
HETATM   61  H   UNL     1       4.443  -3.530   1.309  1.00  0.00           H  
HETATM   62  H   UNL     1       4.429  -6.673   1.710  1.00  0.00           H  
HETATM   63  H   UNL     1       5.866  -7.921  -0.808  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.078   3.145   2.538  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.345   3.490   3.152  1.00  0.00           H  
HETATM   66  H   UNL     1       1.234   4.166   2.465  1.00  0.00           H  
HETATM   67  H   UNL     1       2.656   3.480   1.641  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.390   5.253   2.156  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.237   6.365   1.224  1.00  0.00           H  
HETATM   70  H   UNL     1       2.407   9.283  -1.328  1.00  0.00           H  
HETATM   71  H   UNL     1       2.495   8.227  -2.759  1.00  0.00           H  
HETATM   72  H   UNL     1       0.913   8.773  -2.151  1.00  0.00           H  
HETATM   73  H   UNL     1       3.626   4.603  -0.236  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.759   2.769  -0.550  1.00  0.00           H  
HETATM   75  H   UNL     1       1.709   2.507  -0.997  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    2    9                                                      
CONECT    3    2   43                                                 
CONECT    4    5    2                                                 
CONECT    5    6    6    4    7                                       
CONECT    5    8                                                      
CONECT    6    5    5                                                 
CONECT    7    5   44                                                 
CONECT    8    5   45                                                 
CONECT    9    2   10                                                 
CONECT   10    9   11   46   47                                       
CONECT   11   10   12   48   49                                       
CONECT   12   13   11   32   74                                       
CONECT   13   14   12                                                 
CONECT   14   13   15   31   75                                       
CONECT   15   17   16   14   19                                       
CONECT   16   15   50                                                 
CONECT   17   18   15   51   52                                       
CONECT   18   17   53                                                 
CONECT   19   15   20   21   54                                       
CONECT   20   19   55                                                 
CONECT   21   22   19   23   56                                       
CONECT   22   21   57                                                 
CONECT   23   21   25   24   58                                       
CONECT   24   23   59                                                 
CONECT   25   23   26   60   61                                       
CONECT   26   25   27                                                 
CONECT   27   26   30   30   29                                       
CONECT   27   28                                                      
CONECT   28   27   62                                                 
CONECT   29   27   63                                                 
CONECT   30   27   27                                                 
CONECT   31   14   34   32                                            
CONECT   32   12   31   33   33                                       
CONECT   33   32   32   64   65                                       
CONECT   34   35   31   66   67                                       
CONECT   35   36   42   42   34                                       
CONECT   36   37   38   38   35                                       
CONECT   37   36   68   69                                            
CONECT   38   36   36   39                                            
CONECT   39   38   40   41   41                                       
CONECT   40   39   70   71   72                                       
CONECT   41   39   39   42                                            
CONECT   42   41   35   35   73                                       
CONECT   43    3                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   33                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
CONECT   70   40                                                      
CONECT   71   40                                                      
CONECT   72   40                                                      
CONECT   73   42                                                      
CONECT   74   12                                                      
CONECT   75   14                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
