COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.744  -2.721  -1.455  1.00  0.00           O  
HETATM    2  P   UNL     1      -5.304  -1.671  -0.370  1.00  0.00           P  
HETATM    3  O   UNL     1      -5.644  -0.399  -1.044  1.00  0.00           O  
HETATM    4  O   UNL     1      -6.622  -2.276   0.331  1.00  0.00           O  
HETATM    5  P   UNL     1      -8.150  -2.468  -0.138  1.00  0.00           P  
HETATM    6  O   UNL     1      -8.901  -1.045  -0.116  1.00  0.00           O  
HETATM    7  O   UNL     1      -8.179  -3.020  -1.511  1.00  0.00           O  
HETATM    8  O   UNL     1      -8.895  -3.484   0.864  1.00  0.00           O  
HETATM    9  O   UNL     1      -4.177  -1.402   0.748  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.929  -0.770   0.458  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.098  -0.671   1.739  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.781  -0.005   1.433  1.00  0.00           C  
HETATM   13  S   UNL     1       0.702  -0.818   0.938  1.00  0.00           S  
HETATM   14  C   UNL     1       1.509   0.687   0.856  1.00  0.00           C  
HETATM   15  C   UNL     1       2.954   0.870   0.467  1.00  0.00           C  
HETATM   16  C   UNL     1       3.618  -0.499   0.312  1.00  0.00           C  
HETATM   17  C   UNL     1       5.113  -0.313   0.045  1.00  0.00           C  
HETATM   18  C   UNL     1       5.800  -1.680   0.021  1.00  0.00           C  
HETATM   19  O   UNL     1       7.212  -1.501  -0.113  1.00  0.00           O  
HETATM   20  P   UNL     1       8.250  -2.730  -0.173  1.00  0.00           P  
HETATM   21  O   UNL     1       8.064  -3.591   1.016  1.00  0.00           O  
HETATM   22  O   UNL     1       7.985  -3.592  -1.507  1.00  0.00           O  
HETATM   23  O   UNL     1       9.756  -2.160  -0.192  1.00  0.00           O  
HETATM   24  O   UNL     1       5.295   0.334  -1.216  1.00  0.00           O  
HETATM   25  O   UNL     1       3.022  -1.197  -0.783  1.00  0.00           O  
HETATM   26  C   UNL     1       3.032   1.628  -0.859  1.00  0.00           C  
HETATM   27  O   UNL     1       2.308   0.912  -1.861  1.00  0.00           O  
HETATM   28  O   UNL     1       3.629   1.615   1.482  1.00  0.00           O  
HETATM   29  N   UNL     1       0.703   1.642   1.175  1.00  0.00           N1+
HETATM   30  C   UNL     1      -0.534   1.307   1.484  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.581   2.320   1.867  1.00  0.00           C  
HETATM   32  C   UNL     1       1.142   3.040   1.187  1.00  0.00           C  
HETATM   33  C   UNL     1       0.298   3.839   0.227  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.632   4.769   0.695  1.00  0.00           C  
HETATM   35  N   UNL     1      -0.798   4.976   2.055  1.00  0.00           N  
HETATM   36  N   UNL     1      -1.356   5.455  -0.185  1.00  0.00           N  
HETATM   37  C   UNL     1      -1.201   5.261  -1.479  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.040   6.057  -2.445  1.00  0.00           C  
HETATM   39  N   UNL     1      -0.331   4.391  -1.952  1.00  0.00           N  
HETATM   40  C   UNL     1       0.430   3.674  -1.138  1.00  0.00           C  
HETATM   41  H   UNL     1      -4.501  -3.579  -1.082  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.921  -0.624   0.754  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.822  -3.647   0.641  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.387  -1.359  -0.282  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.111   0.230   0.064  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.640  -0.082   2.479  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.916  -1.671   2.133  1.00  0.00           H  
HETATM   48  H   UNL     1       3.481  -1.075   1.227  1.00  0.00           H  
HETATM   49  H   UNL     1       5.550   0.299   0.834  1.00  0.00           H  
HETATM   50  H   UNL     1       5.588  -2.210   0.949  1.00  0.00           H  
HETATM   51  H   UNL     1       5.427  -2.260  -0.823  1.00  0.00           H  
HETATM   52  H   UNL     1       8.089  -3.090  -2.326  1.00  0.00           H  
HETATM   53  H   UNL     1      10.436  -2.847  -0.228  1.00  0.00           H  
HETATM   54  H   UNL     1       4.930  -0.156  -1.966  1.00  0.00           H  
HETATM   55  H   UNL     1       3.220  -0.813  -1.648  1.00  0.00           H  
HETATM   56  H   UNL     1       2.598   2.621  -0.737  1.00  0.00           H  
HETATM   57  H   UNL     1       4.075   1.723  -1.163  1.00  0.00           H  
HETATM   58  H   UNL     1       2.315   1.335  -2.730  1.00  0.00           H  
HETATM   59  H   UNL     1       3.619   1.193   2.352  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.464   2.584   2.918  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.464   3.214   1.254  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.572   1.896   1.707  1.00  0.00           H  
HETATM   63  H   UNL     1       1.032   3.447   2.192  1.00  0.00           H  
HETATM   64  H   UNL     1       2.187   3.095   0.884  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.175   4.581   2.685  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.536   5.515   2.377  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.522   6.981  -2.701  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.207   5.472  -3.349  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.999   6.294  -1.983  1.00  0.00           H  
HETATM   70  H   UNL     1       1.140   2.964  -1.537  1.00  0.00           H  
CONECT    1    2   41                                                 
CONECT    2    3    3    9    1                                       
CONECT    2    4                                                      
CONECT    3    2    2                                                 
CONECT    4    2    5                                                 
CONECT    5    7    7    8    4                                       
CONECT    5    6                                                      
CONECT    6    5   42                                                 
CONECT    7    5    5                                                 
CONECT    8    5   43                                                 
CONECT    9    2   10                                                 
CONECT   10    9   11   44   45                                       
CONECT   11   10   12   46   47                                       
CONECT   12   11   30   30   13                                       
CONECT   13   12   14                                                 
CONECT   14   13   29   29   15                                       
CONECT   15   14   16   26   28                                       
CONECT   16   25   15   17   48                                       
CONECT   17   16   18   24   49                                       
CONECT   18   17   19   50   51                                       
CONECT   19   18   20                                                 
CONECT   20   21   21   19   23                                       
CONECT   20   22                                                      
CONECT   21   20   20                                                 
CONECT   22   20   52                                                 
CONECT   23   20   53                                                 
CONECT   24   17   54                                                 
CONECT   25   16   55                                                 
CONECT   26   15   27   56   57                                       
CONECT   27   26   58                                                 
CONECT   28   15   59                                                 
CONECT   29   30   32   14   14                                       
CONECT   30   31   12   12   29                                       
CONECT   31   30   60   61   62                                       
CONECT   32   29   33   63   64                                       
CONECT   33   40   32   34   34                                       
CONECT   34   33   33   36   35                                       
CONECT   35   34   65   66                                            
CONECT   36   37   37   34                                            
CONECT   37   39   38   36   36                                       
CONECT   38   37   67   68   69                                       
CONECT   39   40   40   37                                            
CONECT   40   39   39   33   70                                       
CONECT   41    1                                                      
CONECT   42    6                                                      
CONECT   43    8                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   31                                                      
CONECT   61   31                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   38                                                      
CONECT   68   38                                                      
CONECT   69   38                                                      
CONECT   70   40                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
