COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.143  -2.075   2.564  1.00  0.00           O  
HETATM    2  P   UNL     1       2.895  -2.753   1.484  1.00  0.00           P  
HETATM    3  O   UNL     1       1.865  -3.523   0.515  1.00  0.00           O  
HETATM    4  P   UNL     1       0.529  -4.387   0.763  1.00  0.00           P  
HETATM    5  O   UNL     1      -0.262  -4.564  -0.628  1.00  0.00           O  
HETATM    6  C   UNL     1      -1.541  -5.194  -0.722  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.003  -5.195  -2.181  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.107  -3.754  -2.684  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.992  -5.962  -3.036  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.372  -5.870  -2.281  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.249  -7.252  -1.938  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.333  -5.201  -1.332  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.734  -3.935  -1.560  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.590  -3.251  -0.588  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.897  -1.837  -1.084  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.778  -1.133  -0.083  1.00  0.00           C  
HETATM   17  N   UNL     1      -7.179   0.133  -0.312  1.00  0.00           N  
HETATM   18  C   UNL     1      -8.035   0.817   0.661  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.342   2.231   0.165  1.00  0.00           C  
HETATM   20  S   UNL     1      -9.402   3.078   1.369  1.00  0.00           S  
HETATM   21  C   UNL     1      -9.651   4.709   0.617  1.00  0.00           C  
HETATM   22  C   UNL     1     -10.436   4.556  -0.688  1.00  0.00           C  
HETATM   23  C   UNL     1     -10.424   5.588   1.567  1.00  0.00           C  
HETATM   24  O   UNL     1     -11.076   5.090   2.454  1.00  0.00           O  
HETATM   25  O   UNL     1      -7.126  -1.707   0.927  1.00  0.00           O  
HETATM   26  O   UNL     1      -4.745  -5.802  -0.363  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.338  -3.686   1.737  1.00  0.00           O  
HETATM   28  O   UNL     1       0.926  -5.835   1.343  1.00  0.00           O  
HETATM   29  O   UNL     1       3.920  -3.814   2.129  1.00  0.00           O  
HETATM   30  O   UNL     1       3.716  -1.661   0.634  1.00  0.00           O  
HETATM   31  C   UNL     1       4.635  -0.742   1.229  1.00  0.00           C  
HETATM   32  C   UNL     1       5.238   0.151   0.143  1.00  0.00           C  
HETATM   33  C   UNL     1       6.309   1.073   0.758  1.00  0.00           C  
HETATM   34  O   UNL     1       7.581   0.839   0.149  1.00  0.00           O  
HETATM   35  P   UNL     1       8.895   0.441   0.989  1.00  0.00           P  
HETATM   36  O   UNL     1       8.613  -0.760   1.807  1.00  0.00           O  
HETATM   37  O   UNL     1      10.105   0.127  -0.025  1.00  0.00           O  
HETATM   38  O   UNL     1       9.306   1.662   1.954  1.00  0.00           O  
HETATM   39  C   UNL     1       5.809   2.503   0.436  1.00  0.00           C  
HETATM   40  O   UNL     1       6.894   3.346   0.045  1.00  0.00           O  
HETATM   41  C   UNL     1       4.849   2.250  -0.754  1.00  0.00           C  
HETATM   42  N   UNL     1       3.851   3.319  -0.847  1.00  0.00           N  
HETATM   43  C   UNL     1       2.596   3.300  -0.316  1.00  0.00           C  
HETATM   44  N   UNL     1       1.980   4.413  -0.589  1.00  0.00           N  
HETATM   45  C   UNL     1       2.799   5.216  -1.311  1.00  0.00           C  
HETATM   46  C   UNL     1       4.011   4.526  -1.480  1.00  0.00           C  
HETATM   47  N   UNL     1       4.996   5.107  -2.158  1.00  0.00           N  
HETATM   48  C   UNL     1       4.843   6.314  -2.661  1.00  0.00           C  
HETATM   49  N   UNL     1       3.724   7.002  -2.525  1.00  0.00           N  
HETATM   50  C   UNL     1       2.682   6.499  -1.871  1.00  0.00           C  
HETATM   51  N   UNL     1       1.514   7.228  -1.734  1.00  0.00           N  
HETATM   52  O   UNL     1       4.219   0.995  -0.418  1.00  0.00           O  
HETATM   53  H   UNL     1      -1.467  -6.221  -0.364  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.261  -4.648  -0.113  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.112  -3.309  -2.720  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.544  -3.748  -3.682  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.738  -3.177  -2.007  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.963  -7.004  -2.716  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.290  -5.911  -4.083  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.004  -5.518  -2.917  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.748  -5.781  -3.300  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.919  -7.407  -1.043  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.455  -3.476  -2.368  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.522  -3.805  -0.471  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.078  -3.196   0.373  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.966  -1.283  -1.200  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.410  -1.892  -2.044  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.900   0.592  -1.120  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.967   0.262   0.777  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.523   0.872   1.621  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.411   2.785   0.048  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.855   2.176  -0.796  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.683   5.165   0.407  1.00  0.00           H  
HETATM   74  H   UNL     1     -11.404   4.101  -0.478  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.585   5.536  -1.140  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.877   3.920  -1.375  1.00  0.00           H  
HETATM   77  H   UNL     1       1.494  -6.352   0.756  1.00  0.00           H  
HETATM   78  H   UNL     1       4.448  -4.296   1.478  1.00  0.00           H  
HETATM   79  H   UNL     1       4.110  -0.123   1.957  1.00  0.00           H  
HETATM   80  H   UNL     1       5.430  -1.295   1.728  1.00  0.00           H  
HETATM   81  H   UNL     1       5.682  -0.465  -0.639  1.00  0.00           H  
HETATM   82  H   UNL     1       6.368   0.924   1.836  1.00  0.00           H  
HETATM   83  H   UNL     1      10.931  -0.120   0.413  1.00  0.00           H  
HETATM   84  H   UNL     1       9.505   2.484   1.485  1.00  0.00           H  
HETATM   85  H   UNL     1       5.274   2.928   1.285  1.00  0.00           H  
HETATM   86  H   UNL     1       6.631   4.253  -0.167  1.00  0.00           H  
HETATM   87  H   UNL     1       5.407   2.165  -1.686  1.00  0.00           H  
HETATM   88  H   UNL     1       2.174   2.481   0.248  1.00  0.00           H  
HETATM   89  H   UNL     1       5.663   6.758  -3.206  1.00  0.00           H  
HETATM   90  H   UNL     1       1.448   8.116  -2.118  1.00  0.00           H  
HETATM   91  H   UNL     1       0.760   6.850  -1.255  1.00  0.00           H  
HETATM   92  O   UNL     1     -10.388   6.922   1.427  1.00  0.00           O  
HETATM   93  H   UNL     1     -10.900   7.444   2.060  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   30   29                                       
CONECT    2    3                                                      
CONECT    3    2    4                                                 
CONECT    4   27   27    3   28                                       
CONECT    4    5                                                      
CONECT    5    4    6                                                 
CONECT    6    5    7   53   54                                       
CONECT    7    6   10    8    9                                       
CONECT    8    7   55   56   57                                       
CONECT    9    7   58   59   60                                       
CONECT   10   11    7   12   61                                       
CONECT   11   10   62                                                 
CONECT   12   10   26   26   13                                       
CONECT   13   12   14   63                                            
CONECT   14   13   15   64   65                                       
CONECT   15   14   16   66   67                                       
CONECT   16   15   25   25   17                                       
CONECT   17   16   18   68                                            
CONECT   18   17   19   69   70                                       
CONECT   19   18   20   71   72                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   23   73                                       
CONECT   22   21   74   75   76                                       
CONECT   23   21   24   24   92                                       
CONECT   24   23   23                                                 
CONECT   25   16   16                                                 
CONECT   26   12   12                                                 
CONECT   27    4    4                                                 
CONECT   28    4   77                                                 
CONECT   29    2   78                                                 
CONECT   30   31    2                                                 
CONECT   31   32   30   79   80                                       
CONECT   32   33   31   52   81                                       
CONECT   33   34   39   32   82                                       
CONECT   34   35   33                                                 
CONECT   35   36   36   38   37                                       
CONECT   35   34                                                      
CONECT   36   35   35                                                 
CONECT   37   35   83                                                 
CONECT   38   35   84                                                 
CONECT   39   40   33   41   85                                       
CONECT   40   39   86                                                 
CONECT   41   39   42   52   87                                       
CONECT   42   46   41   43                                            
CONECT   43   42   44   44   88                                       
CONECT   44   45   43   43                                            
CONECT   45   46   46   50   44                                       
CONECT   46   47   42   45   45                                       
CONECT   47   48   48   46                                            
CONECT   48   47   47   49   89                                       
CONECT   49   48   50   50                                            
CONECT   50   49   49   45   51                                       
CONECT   51   50   90   91                                            
CONECT   52   32   41                                                 
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   15                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   18                                                      
CONECT   71   19                                                      
CONECT   72   19                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   22                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   37                                                      
CONECT   84   38                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
CONECT   87   41                                                      
CONECT   88   43                                                      
CONECT   89   48                                                      
CONECT   90   51                                                      
CONECT   91   51                                                      
CONECT   92   23   93                                                 
CONECT   93   92                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
