COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.057  -1.158  -0.086  1.00  0.00           N  
HETATM    2  C   UNL     1       6.604  -1.795   1.609  1.00  0.00           C  
HETATM    3  C   UNL     1       5.781  -2.490   0.499  1.00  0.00           C  
HETATM    4  N   UNL     1       5.975  -0.138   0.075  1.00  0.00           N  
HETATM    5  C   UNL     1       4.453  -1.428  -1.364  1.00  0.00           C  
HETATM    6  C   UNL     1       2.114  -1.281  -0.914  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.303  -1.146  -0.631  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.792  -2.584  -0.813  1.00  0.00           C  
HETATM    9  C   UNL     1       0.062  -3.283  -1.873  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.344  -4.755  -1.966  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.153  -2.608  -3.228  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.219  -0.421   0.321  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.417   0.420   0.951  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.584   1.030   0.171  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.055   2.106  -0.779  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.189   2.710  -1.578  1.00  0.00           C  
HETATM   17  C   UNL     1       4.242   1.559  -0.237  1.00  0.00           C  
HETATM   18  C   UNL     1       5.694   1.170  -0.522  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.477   3.297   0.019  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.890   4.497  -0.862  1.00  0.00           C  
HETATM   21  C   UNL     1       3.590   3.285   1.387  1.00  0.00           C  
HETATM   22  C   UNL     1       6.438  -0.319   1.323  1.00  0.00           C  
HETATM   23  C   UNL     1       5.787  -1.420  -0.615  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.957  -0.565   1.990  1.00  0.00           C  
HETATM   25  C   UNL     1       4.034   1.794   1.277  1.00  0.00           C  
HETATM   26  C   UNL     1       2.152   3.309   0.783  1.00  0.00           C  
HETATM   27  C   UNL     1       2.360   3.074  -0.730  1.00  0.00           C  
HETATM   28  C   UNL     1       3.903   2.929  -0.899  1.00  0.00           C  
HETATM   29  C   UNL     1       4.410   3.920   0.209  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.527  -0.285   0.026  1.00  0.00           N  
HETATM   31  N   UNL     1      -5.075   4.049  -1.603  1.00  0.00           N  
HETATM   32  O   UNL     1       6.687   0.572   2.108  1.00  0.00           O  
HETATM   33  O   UNL     1       3.364  -1.292  -0.414  1.00  0.00           O  
HETATM   34  O   UNL     1      -6.072   2.078  -2.118  1.00  0.00           O  
HETATM   35  O   UNL     1      -4.914   0.095   2.820  1.00  0.00           O  
HETATM   36  O   UNL     1      -0.779   0.041   1.353  1.00  0.00           O  
HETATM   37  O   UNL     1       1.938  -1.382  -2.112  1.00  0.00           O  
HETATM   38  H   UNL     1       1.197  -1.082   0.870  1.00  0.00           H  
HETATM   39  H   UNL     1       6.203  -2.041   2.592  1.00  0.00           H  
HETATM   40  H   UNL     1       7.653  -2.082   1.541  1.00  0.00           H  
HETATM   41  H   UNL     1       6.271  -3.405   0.165  1.00  0.00           H  
HETATM   42  H   UNL     1       4.765  -2.696   0.837  1.00  0.00           H  
HETATM   43  H   UNL     1       4.427  -0.596  -2.068  1.00  0.00           H  
HETATM   44  H   UNL     1       4.347  -2.367  -1.907  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.304  -0.637  -1.595  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.707  -3.119   0.133  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.834  -2.576  -1.134  1.00  0.00           H  
HETATM   48  H   UNL     1       1.114  -3.214  -1.595  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.396  -4.825  -2.243  1.00  0.00           H  
HETATM   50  H   UNL     1       0.264  -5.253  -2.721  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.191  -5.237  -1.000  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.205  -2.677  -3.506  1.00  0.00           H  
HETATM   53  H   UNL     1       0.137  -1.559  -3.162  1.00  0.00           H  
HETATM   54  H   UNL     1       0.455  -3.106  -3.983  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.864   1.212   1.455  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.083   0.250  -0.404  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.292   1.477   0.868  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.298   1.689  -1.443  1.00  0.00           H  
HETATM   59  H   UNL     1       3.564   0.785  -0.597  1.00  0.00           H  
HETATM   60  H   UNL     1       6.361   1.916  -0.091  1.00  0.00           H  
HETATM   61  H   UNL     1       5.852   1.120  -1.599  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.934   3.363   1.007  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.393   3.225   0.098  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.138   5.355  -0.238  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.086   4.753  -1.552  1.00  0.00           H  
HETATM   66  H   UNL     1       3.702   3.744   2.369  1.00  0.00           H  
HETATM   67  H   UNL     1       6.610  -1.601  -1.307  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.135  -0.932   2.604  1.00  0.00           H  
HETATM   69  S   UNL     1      -4.750  -1.960   1.144  1.00  0.00           S  
HETATM   70  H   UNL     1       3.254   1.136   1.660  1.00  0.00           H  
HETATM   71  H   UNL     1       4.967   1.635   1.818  1.00  0.00           H  
HETATM   72  H   UNL     1       1.546   2.511   1.212  1.00  0.00           H  
HETATM   73  H   UNL     1       1.856   2.160  -1.045  1.00  0.00           H  
HETATM   74  H   UNL     1       4.289   3.079  -1.907  1.00  0.00           H  
HETATM   75  H   UNL     1       4.108   4.947   0.007  1.00  0.00           H  
HETATM   76  H   UNL     1       5.485   3.838   0.369  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.878  -0.654  -0.799  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.695   4.643  -2.054  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.675   0.449   2.339  1.00  0.00           H  
HETATM   80  O   UNL     1      -5.875  -1.517   0.397  1.00  0.00           O  
HETATM   81  O   UNL     1      -3.773  -2.811   0.562  1.00  0.00           O  
HETATM   82  O   UNL     1      -5.351  -2.793   2.268  1.00  0.00           O  
HETATM   83  H   UNL     1      -5.815  -3.585   1.965  1.00  0.00           H  
HETATM   84  H   UNL     1       1.683   4.277   0.958  1.00  0.00           H  
HETATM   85  H   UNL     1       1.992   3.926  -1.301  1.00  0.00           H  
CONECT    1    6    7   38                                            
CONECT    2   22    3   39   40                                       
CONECT    3    2   23   41   42                                       
CONECT    4   22   18   23                                            
CONECT    5   23   33   43   44                                       
CONECT    6   37   37   33    1                                       
CONECT    7    1   12    8   45                                       
CONECT    8    7    9   46   47                                       
CONECT    9   11    8   10   48                                       
CONECT   10    9   49   50   51                                       
CONECT   11    9   52   53   54                                       
CONECT   12    7   30   36   36                                       
CONECT   13   14   30   24   55                                       
CONECT   14   15   13   56   57                                       
CONECT   15   16   14   19   58                                       
CONECT   16   34   34   31   15                                       
CONECT   17   18   28   25   59                                       
CONECT   18    4   17   60   61                                       
CONECT   19   15   20   62   63                                       
CONECT   20   31   19   64   65                                       
CONECT   21   29   25   26   66                                       
CONECT   22   32   32    2    4                                       
CONECT   23    3    4    5   67                                       
CONECT   24   13   35   68   69                                       
CONECT   25   17   21   70   71                                       
CONECT   26   21   27   72   84                                       
CONECT   27   28   26   73   85                                       
CONECT   28   29   17   27   74                                       
CONECT   29   28   21   75   76                                       
CONECT   30   13   12   77                                            
CONECT   31   16   20   78                                            
CONECT   32   22   22                                                 
CONECT   33    5    6                                                 
CONECT   34   16   16                                                 
CONECT   35   24   79                                                 
CONECT   36   12   12                                                 
CONECT   37    6    6                                                 
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   24   80   80   81                                       
CONECT   69   81   82                                                 
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   35                                                      
CONECT   80   69   69                                                 
CONECT   81   69   69                                                 
CONECT   82   69   83                                                 
CONECT   83   82                                                      
CONECT   84   26                                                      
CONECT   85   27                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
