COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.612  -1.449   0.602  1.00  0.00           C  
HETATM    2  C   UNL     1       8.360  -0.604   0.846  1.00  0.00           C  
HETATM    3  C   UNL     1       7.124  -1.379   0.385  1.00  0.00           C  
HETATM    4  C   UNL     1       5.872  -0.533   0.629  1.00  0.00           C  
HETATM    5  C   UNL     1       4.654  -1.297   0.175  1.00  0.00           C  
HETATM    6  O   UNL     1       4.775  -2.403  -0.295  1.00  0.00           O  
HETATM    7  O   UNL     1       3.435  -0.747   0.293  1.00  0.00           O  
HETATM    8  C   UNL     1       2.308  -1.540  -0.164  1.00  0.00           C  
HETATM    9  C   UNL     1       1.013  -0.754   0.049  1.00  0.00           C  
HETATM   10  O   UNL     1       1.019   0.428  -0.794  1.00  0.00           O  
HETATM   11  C   UNL     1       1.543   1.547  -0.271  1.00  0.00           C  
HETATM   12  O   UNL     1       1.983   1.539   0.854  1.00  0.00           O  
HETATM   13  C   UNL     1       1.584   2.813  -1.088  1.00  0.00           C  
HETATM   14  C   UNL     1       2.227   3.931  -0.264  1.00  0.00           C  
HETATM   15  C   UNL     1       2.268   5.216  -1.093  1.00  0.00           C  
HETATM   16  C   UNL     1       2.911   6.334  -0.269  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.184  -1.635  -0.316  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.396  -0.944  -0.007  1.00  0.00           O  
HETATM   19  P   UNL     1      -2.855  -1.576  -0.263  1.00  0.00           P  
HETATM   20  S   UNL     1      -3.268  -1.526  -2.210  1.00  0.00           S1-
HETATM   21  S   UNL     1      -2.882  -3.463   0.374  1.00  0.00           S  
HETATM   22  O   UNL     1      -3.957  -0.722   0.542  1.00  0.00           O  
HETATM   23  C   UNL     1      -5.360  -0.823   0.285  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.119   0.119   1.222  1.00  0.00           C  
HETATM   25  N   UNL     1      -5.793   1.511   0.885  1.00  0.00           N1+
HETATM   26  C   UNL     1      -6.059   1.745  -0.541  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.621   2.417   1.692  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.374   1.764   1.166  1.00  0.00           C  
HETATM   29  H   UNL     1      10.493  -0.897   0.930  1.00  0.00           H  
HETATM   30  H   UNL     1       9.537  -2.380   1.164  1.00  0.00           H  
HETATM   31  H   UNL     1       9.698  -1.672  -0.461  1.00  0.00           H  
HETATM   32  H   UNL     1       8.274  -0.380   1.909  1.00  0.00           H  
HETATM   33  H   UNL     1       8.436   0.327   0.284  1.00  0.00           H  
HETATM   34  H   UNL     1       7.210  -1.602  -0.678  1.00  0.00           H  
HETATM   35  H   UNL     1       7.049  -2.310   0.947  1.00  0.00           H  
HETATM   36  H   UNL     1       5.786  -0.310   1.692  1.00  0.00           H  
HETATM   37  H   UNL     1       5.947   0.398   0.067  1.00  0.00           H  
HETATM   38  H   UNL     1       2.427  -1.763  -1.224  1.00  0.00           H  
HETATM   39  H   UNL     1       2.266  -2.471   0.401  1.00  0.00           H  
HETATM   40  H   UNL     1       0.937  -0.454   1.094  1.00  0.00           H  
HETATM   41  H   UNL     1       2.171   2.644  -1.991  1.00  0.00           H  
HETATM   42  H   UNL     1       0.570   3.101  -1.362  1.00  0.00           H  
HETATM   43  H   UNL     1       1.640   4.099   0.639  1.00  0.00           H  
HETATM   44  H   UNL     1       3.241   3.642   0.010  1.00  0.00           H  
HETATM   45  H   UNL     1       2.855   5.047  -1.996  1.00  0.00           H  
HETATM   46  H   UNL     1       1.253   5.504  -1.367  1.00  0.00           H  
HETATM   47  H   UNL     1       2.940   7.249  -0.859  1.00  0.00           H  
HETATM   48  H   UNL     1       2.324   6.502   0.634  1.00  0.00           H  
HETATM   49  H   UNL     1       3.925   6.045   0.005  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.156  -1.862  -1.382  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.139  -2.563   0.254  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.560  -0.546  -0.750  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.688  -1.848   0.457  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.191  -0.041   1.107  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.829  -0.082   2.253  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.112   1.558  -0.750  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.817   2.779  -0.791  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.445   1.073  -1.140  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.424   2.243   2.750  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.379   3.450   1.442  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.674   2.230   1.484  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.759   1.240   0.434  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.176   2.834   1.106  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.132   1.406   2.167  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    1    3   32   33                                       
CONECT    3    2    4   34   35                                       
CONECT    4    3    5   36   37                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   38   39                                       
CONECT    9    8   10   17   40                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   41   42                                       
CONECT   14   13   15   43   44                                       
CONECT   15   14   16   45   46                                       
CONECT   16   15   47   48   49                                       
CONECT   17    9   18   50   51                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   21   21                                       
CONECT   19   22                                                      
CONECT   20   19                                                      
CONECT   21   19   19                                                 
CONECT   22   19   23                                                 
CONECT   23   22   24   52   53                                       
CONECT   24   23   25   54   55                                       
CONECT   25   24   26   27   28                                       
CONECT   26   25   56   57   58                                       
CONECT   27   25   59   60   61                                       
CONECT   28   25   62   63   64                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   23                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
