COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.956   0.544  -0.306  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.350   0.545   0.358  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.707   1.972   0.779  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.822   1.931   1.826  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.313   1.230   3.086  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.697  -0.591  -1.112  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.850  -1.228  -0.333  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.358  -2.506   0.350  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.479  -3.152   1.134  1.00  0.00           C  
HETATM   10  C   UNL     1       5.716   0.755  -0.184  1.00  0.00           C  
HETATM   11  C   UNL     1       7.069   0.645   0.522  1.00  0.00           C  
HETATM   12  C   UNL     1       8.210  -0.032  -0.239  1.00  0.00           C  
HETATM   13  C   UNL     1       7.813  -1.470  -0.579  1.00  0.00           C  
HETATM   14  C   UNL     1       8.955  -2.147  -1.341  1.00  0.00           C  
HETATM   15  C   UNL     1      10.213  -2.157  -0.470  1.00  0.00           C  
HETATM   16  C   UNL     1       2.085   0.540   0.429  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.433  -4.874  -0.020  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.972  -3.568  -0.705  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.223   0.599  -1.918  1.00  0.00           C  
HETATM   20  C   UNL     1       4.457   0.631   0.678  1.00  0.00           C  
HETATM   21  C   UNL     1       6.582   2.001   0.007  1.00  0.00           C  
HETATM   22  C   UNL     1      10.609  -0.719  -0.130  1.00  0.00           C  
HETATM   23  C   UNL     1       9.468  -0.042   0.632  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.248   3.359   2.173  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.398   0.025  -0.593  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.670  -0.130  -0.175  1.00  0.00           N  
HETATM   27  N   UNL     1      -5.501  -4.476   0.904  1.00  0.00           N  
HETATM   28  O   UNL     1       2.023   0.445   1.639  1.00  0.00           O  
HETATM   29  O   UNL     1      -6.247  -2.561   1.864  1.00  0.00           O  
HETATM   30  O   UNL     1      -3.176   1.116  -2.741  1.00  0.00           O  
HETATM   31  O   UNL     1      -1.096  -0.253  -1.734  1.00  0.00           O  
HETATM   32  O   UNL     1       3.283   0.642  -0.177  1.00  0.00           O  
HETATM   33  S   UNL     1      -4.795   1.893  -0.783  1.00  0.00           S1+
HETATM   34  O   UNL     1      -5.630   1.431   0.271  1.00  0.00           O  
HETATM   35  H   UNL     1       1.007   0.541  -1.275  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.310  -0.095   1.239  1.00  0.00           H  
HETATM   37  H   UNL     1       0.172   2.456   1.204  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.046   2.534  -0.091  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.676   1.385   1.425  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.127   1.141   3.806  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.948   0.236   2.827  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.503   1.812   3.524  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.267  -1.327  -1.790  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.208  -0.528   0.422  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.661  -1.471  -1.018  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.511  -2.289   1.000  1.00  0.00           H  
HETATM   47  H   UNL     1       5.639   0.345  -1.191  1.00  0.00           H  
HETATM   48  H   UNL     1       7.062   0.484   1.600  1.00  0.00           H  
HETATM   49  H   UNL     1       8.409   0.518  -1.159  1.00  0.00           H  
HETATM   50  H   UNL     1       7.614  -2.019   0.341  1.00  0.00           H  
HETATM   51  H   UNL     1       6.917  -1.462  -1.199  1.00  0.00           H  
HETATM   52  H   UNL     1       8.672  -3.171  -1.583  1.00  0.00           H  
HETATM   53  H   UNL     1       9.154  -1.597  -2.261  1.00  0.00           H  
HETATM   54  H   UNL     1      10.014  -2.707   0.450  1.00  0.00           H  
HETATM   55  H   UNL     1      11.026  -2.640  -1.013  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.817  -5.574  -0.762  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.607  -5.325   0.530  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.512  -3.406  -1.638  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.896  -3.576  -0.875  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.052   0.274  -2.546  1.00  0.00           H  
HETATM   61  H   UNL     1       4.491  -0.303   1.237  1.00  0.00           H  
HETATM   62  H   UNL     1       4.408   1.469   1.372  1.00  0.00           H  
HETATM   63  H   UNL     1       7.076   2.411  -0.874  1.00  0.00           H  
HETATM   64  H   UNL     1       6.256   2.733   0.747  1.00  0.00           H  
HETATM   65  H   UNL     1      11.506  -0.727   0.490  1.00  0.00           H  
HETATM   66  H   UNL     1      10.809  -0.170  -1.050  1.00  0.00           H  
HETATM   67  H   UNL     1       9.750   0.982   0.874  1.00  0.00           H  
HETATM   68  H   UNL     1       9.269  -0.592   1.551  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.394   3.906   2.573  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.611   3.859   1.275  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.043   3.330   2.918  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.905   0.064   0.746  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.141  -5.089   1.298  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.404   1.425  -2.248  1.00  0.00           H  
HETATM   75  O   UNL     1      -3.575   2.564  -0.168  1.00  0.00           O  
HETATM   76  O   UNL     1      -5.569   2.928  -1.587  1.00  0.00           O  
HETATM   77  H   UNL     1      -2.948   2.911  -0.817  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.913   3.660  -1.058  1.00  0.00           H  
CONECT    1    2   16   35                                            
CONECT    2    3    1   25   36                                       
CONECT    3    4    2   37   38                                       
CONECT    4   24    5    3   39                                       
CONECT    5    4   40   41   42                                       
CONECT    6   26   19    7   43                                       
CONECT    7    6    8   44   45                                       
CONECT    8    7   18    9   46                                       
CONECT    9    8   29   29   27                                       
CONECT   10   11   20   21   47                                       
CONECT   11   12   10   21   48                                       
CONECT   12   13   23   11   49                                       
CONECT   13   14   12   50   51                                       
CONECT   14   15   13   52   53                                       
CONECT   15   14   22   54   55                                       
CONECT   16    1   32   28   28                                       
CONECT   17   18   27   56   57                                       
CONECT   18    8   17   58   59                                       
CONECT   19   30   33    6   60                                       
CONECT   20   32   10   61   62                                       
CONECT   21   11   10   63   64                                       
CONECT   22   15   23   65   66                                       
CONECT   23   22   12   67   68                                       
CONECT   24    4   69   70   71                                       
CONECT   25    2   31   31   26                                       
CONECT   26   25    6   72                                            
CONECT   27   17    9   73                                            
CONECT   28   16   16                                                 
CONECT   29    9    9                                                 
CONECT   30   19   74                                                 
CONECT   31   25   25                                                 
CONECT   32   16   20                                                 
CONECT   33   19   34   34   75                                       
CONECT   33   76                                                      
CONECT   34   33   33                                                 
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   30                                                      
CONECT   75   33   77                                                 
CONECT   76   33   78                                                 
CONECT   77   75                                                      
CONECT   78   76                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
