COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -8.165   2.899   0.331  1.00  0.00           P  
HETATM    2  O   UNL     1      -6.710   3.455  -0.075  1.00  0.00           O  
HETATM    3  O   UNL     1      -9.107   3.118  -0.790  1.00  0.00           O  
HETATM    4  O   UNL     1      -8.067   1.323   0.649  1.00  0.00           O  
HETATM    5  C   UNL     1      -7.729   0.349  -0.340  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.726  -1.043   0.296  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.696  -1.085   1.427  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.115  -1.349   0.859  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.363  -2.086  -0.763  1.00  0.00           C  
HETATM   10  O   UNL     1      -8.332  -2.056  -1.813  1.00  0.00           O  
HETATM   11  C   UNL     1      -6.001  -1.777  -1.327  1.00  0.00           C  
HETATM   12  O   UNL     1      -5.882  -1.475  -2.496  1.00  0.00           O  
HETATM   13  N   UNL     1      -4.913  -1.836  -0.533  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.602  -1.442  -1.056  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.547  -1.601   0.041  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.199  -1.196  -0.496  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.092  -0.817  -1.644  1.00  0.00           O  
HETATM   18  N   UNL     1      -0.112  -1.255   0.298  1.00  0.00           N  
HETATM   19  C   UNL     1       1.199  -0.861  -0.225  1.00  0.00           C  
HETATM   20  C   UNL     1       2.254  -1.021   0.872  1.00  0.00           C  
HETATM   21  C   UNL     1       3.623  -0.609   0.326  1.00  0.00           C  
HETATM   22  S   UNL     1       4.888  -0.904   1.586  1.00  0.00           S  
HETATM   23  O   UNL     1       6.049  -1.174   2.742  1.00  0.00           O  
HETATM   24  O   UNL     1       4.927  -2.511   1.172  1.00  0.00           O  
HETATM   25  C   UNL     1       5.988   0.271   0.757  1.00  0.00           C  
HETATM   26  C   UNL     1       7.420  -0.267   0.780  1.00  0.00           C  
HETATM   27  C   UNL     1       8.353   0.736   0.098  1.00  0.00           C  
HETATM   28  C   UNL     1       9.785   0.198   0.122  1.00  0.00           C  
HETATM   29  C   UNL     1      10.718   1.201  -0.560  1.00  0.00           C  
HETATM   30  C   UNL     1      12.150   0.663  -0.537  1.00  0.00           C  
HETATM   31  C   UNL     1      13.082   1.666  -1.218  1.00  0.00           C  
HETATM   32  C   UNL     1      14.514   1.128  -1.195  1.00  0.00           C  
HETATM   33  C   UNL     1      15.447   2.131  -1.877  1.00  0.00           C  
HETATM   34  H   UNL     1      -6.040   3.344   0.614  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.462   0.379  -1.145  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.739   0.567  -0.741  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.061  -0.500   2.272  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.541  -2.117   1.739  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.753  -0.666   1.075  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.844  -1.349   0.049  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.105  -2.328   1.339  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.386  -0.589   1.592  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.352  -3.077  -0.308  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.396  -1.202  -2.264  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.998  -2.139   0.384  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.344  -2.076  -1.904  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.637  -0.401  -1.377  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.806  -0.967   0.889  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.512  -2.642   0.363  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.197  -1.558   1.215  1.00  0.00           H  
HETATM   51  H   UNL     1       1.458  -1.495  -1.073  1.00  0.00           H  
HETATM   52  H   UNL     1       1.164   0.180  -0.547  1.00  0.00           H  
HETATM   53  H   UNL     1       1.996  -0.387   1.720  1.00  0.00           H  
HETATM   54  H   UNL     1       2.289  -2.062   1.193  1.00  0.00           H  
HETATM   55  H   UNL     1       3.852  -1.197  -0.563  1.00  0.00           H  
HETATM   56  H   UNL     1       3.608   0.449   0.067  1.00  0.00           H  
HETATM   57  H   UNL     1       5.985  -0.587   3.508  1.00  0.00           H  
HETATM   58  H   UNL     1       4.452  -2.718   0.356  1.00  0.00           H  
HETATM   59  H   UNL     1       5.666   0.403  -0.276  1.00  0.00           H  
HETATM   60  H   UNL     1       5.951   1.230   1.274  1.00  0.00           H  
HETATM   61  H   UNL     1       7.736  -0.414   1.813  1.00  0.00           H  
HETATM   62  H   UNL     1       7.459  -1.218   0.250  1.00  0.00           H  
HETATM   63  H   UNL     1       8.036   0.883  -0.934  1.00  0.00           H  
HETATM   64  H   UNL     1       8.313   1.688   0.629  1.00  0.00           H  
HETATM   65  H   UNL     1      10.101   0.052   1.154  1.00  0.00           H  
HETATM   66  H   UNL     1       9.824  -0.753  -0.409  1.00  0.00           H  
HETATM   67  H   UNL     1      10.401   1.348  -1.593  1.00  0.00           H  
HETATM   68  H   UNL     1      10.678   2.152  -0.029  1.00  0.00           H  
HETATM   69  H   UNL     1      12.466   0.516   0.496  1.00  0.00           H  
HETATM   70  H   UNL     1      12.189  -0.288  -1.067  1.00  0.00           H  
HETATM   71  H   UNL     1      12.766   1.813  -2.251  1.00  0.00           H  
HETATM   72  H   UNL     1      13.043   2.618  -0.688  1.00  0.00           H  
HETATM   73  H   UNL     1      14.831   0.982  -0.162  1.00  0.00           H  
HETATM   74  H   UNL     1      14.554   0.177  -1.726  1.00  0.00           H  
HETATM   75  H   UNL     1      15.408   3.082  -1.346  1.00  0.00           H  
HETATM   76  H   UNL     1      16.468   1.748  -1.860  1.00  0.00           H  
HETATM   77  H   UNL     1      15.131   2.278  -2.910  1.00  0.00           H  
HETATM   78  O   UNL     1      -8.693   3.678   1.636  1.00  0.00           O  
HETATM   79  H   UNL     1      -8.777   4.634   1.516  1.00  0.00           H  
CONECT    1    3    3    4    2                                       
CONECT    1   78                                                      
CONECT    2    1   34                                                 
CONECT    3    1    1                                                 
CONECT    4    1    5                                                 
CONECT    5    4    6   35   36                                       
CONECT    6    5    7    8    9                                       
CONECT    7    6   37   38   39                                       
CONECT    8    6   40   41   42                                       
CONECT    9    6   10   11   43                                       
CONECT   10    9   44                                                 
CONECT   11    9   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   45                                            
CONECT   14   13   15   46   47                                       
CONECT   15   14   16   48   49                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   50                                            
CONECT   19   18   20   51   52                                       
CONECT   20   19   21   53   54                                       
CONECT   21   20   22   55   56                                       
CONECT   22   21   23   24   25                                       
CONECT   23   22   57                                                 
CONECT   24   22   58                                                 
CONECT   25   22   26   59   60                                       
CONECT   26   25   27   61   62                                       
CONECT   27   26   28   63   64                                       
CONECT   28   27   29   65   66                                       
CONECT   29   28   30   67   68                                       
CONECT   30   29   31   69   70                                       
CONECT   31   30   32   71   72                                       
CONECT   32   31   33   73   74                                       
CONECT   33   32   75   76   77                                       
CONECT   34    2                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78    1   79                                                 
CONECT   79   78                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
