COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.608   0.574   1.214  1.00  0.00           O  
HETATM    2  C   UNL     1       2.674  -0.226   0.303  1.00  0.00           C  
HETATM    3  O   UNL     1       3.864  -0.742  -0.057  1.00  0.00           O  
HETATM    4  C   UNL     1       5.028  -0.296   0.689  1.00  0.00           C  
HETATM    5  C   UNL     1       6.260  -0.975   0.150  1.00  0.00           C  
HETATM    6  C   UNL     1       6.980  -0.389  -0.875  1.00  0.00           C  
HETATM    7  C   UNL     1       8.111  -1.012  -1.370  1.00  0.00           C  
HETATM    8  C   UNL     1       8.522  -2.221  -0.840  1.00  0.00           C  
HETATM    9  C   UNL     1       7.802  -2.807   0.184  1.00  0.00           C  
HETATM   10  C   UNL     1       6.674  -2.181   0.683  1.00  0.00           C  
HETATM   11  N   UNL     1       1.553  -0.602  -0.346  1.00  0.00           N  
HETATM   12  C   UNL     1       0.257  -0.046   0.049  1.00  0.00           C  
HETATM   13  C   UNL     1       0.041   1.294  -0.657  1.00  0.00           C  
HETATM   14  C   UNL     1       1.081   2.303  -0.167  1.00  0.00           C  
HETATM   15  C   UNL     1       0.944   3.603  -0.962  1.00  0.00           C  
HETATM   16  C   UNL     1       1.985   4.613  -0.471  1.00  0.00           C  
HETATM   17  C   UNL     1       1.758   4.897   1.015  1.00  0.00           C  
HETATM   18  C   UNL     1       1.894   3.597   1.810  1.00  0.00           C  
HETATM   19  C   UNL     1       0.854   2.588   1.319  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.840  -1.002  -0.341  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.126  -0.698  -0.075  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.193  -1.628  -0.454  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.407  -1.406   0.450  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.066  -1.837   1.878  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.289  -1.652   2.806  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.031  -0.245   3.389  1.00  0.00           C  
HETATM   27  N   UNL     1      -3.578  -0.051   3.314  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.011  -0.928   2.468  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.827  -0.982   2.214  1.00  0.00           O  
HETATM   30  O   UNL     1      -4.707  -2.207  -2.246  1.00  0.00           O  
HETATM   31  O   UNL     1      -0.566  -2.046  -0.894  1.00  0.00           O  
HETATM   32  H   UNL     1       5.133   0.784   0.586  1.00  0.00           H  
HETATM   33  H   UNL     1       6.659   0.555  -1.289  1.00  0.00           H  
HETATM   34  H   UNL     1       0.145   1.158  -1.734  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.960   1.665  -0.434  1.00  0.00           H  
HETATM   36  H   UNL     1       2.080   1.893  -0.310  1.00  0.00           H  
HETATM   37  H   UNL     1       1.106   3.401  -2.020  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.055   4.014  -0.819  1.00  0.00           H  
HETATM   39  H   UNL     1       2.984   4.202  -0.614  1.00  0.00           H  
HETATM   40  H   UNL     1       1.887   5.539  -1.038  1.00  0.00           H  
HETATM   41  H   UNL     1       2.499   5.616   1.364  1.00  0.00           H  
HETATM   42  H   UNL     1       0.758   5.307   1.158  1.00  0.00           H  
HETATM   43  H   UNL     1       2.894   3.187   1.667  1.00  0.00           H  
HETATM   44  H   UNL     1       1.732   3.800   2.868  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.146   2.998   1.462  1.00  0.00           H  
HETATM   46  H   UNL     1       0.951   1.662   1.886  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.345   0.137   0.368  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.838  -2.652  -0.341  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.677  -0.350   0.444  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.246  -1.997   0.082  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.728  -2.873   1.892  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.218  -1.673   2.236  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.299  -2.405   3.593  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.544   0.510   2.795  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.366  -0.200   4.426  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.090   0.624   3.811  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.540  -3.154  -2.151  1.00  0.00           H  
HETATM   58  S   UNL     1      -4.037   0.362  -2.130  1.00  0.00           S  
HETATM   59  O   UNL     1      -4.127   0.684  -3.511  1.00  0.00           O  
HETATM   60  O   UNL     1      -2.817   1.131  -1.644  1.00  0.00           O  
HETATM   61  O   UNL     1      -5.067   0.730  -1.223  1.00  0.00           O  
HETATM   62  C   UNL     1      -3.589  -1.382  -1.911  1.00  0.00           C  
HETATM   63  H   UNL     1       4.904  -0.551   1.742  1.00  0.00           H  
HETATM   64  H   UNL     1       8.673  -0.554  -2.170  1.00  0.00           H  
HETATM   65  H   UNL     1       9.405  -2.707  -1.227  1.00  0.00           H  
HETATM   66  H   UNL     1       8.123  -3.752   0.598  1.00  0.00           H  
HETATM   67  H   UNL     1       6.115  -2.637   1.486  1.00  0.00           H  
HETATM   68  H   UNL     1       1.605  -1.241  -1.074  1.00  0.00           H  
HETATM   69  H   UNL     1       0.240   0.106   1.129  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.909   2.092  -1.701  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.750  -1.626  -2.562  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   11    1    1    3                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   32   63                                       
CONECT    5    4   10   10    6                                       
CONECT    6    5    7    7   33                                       
CONECT    7    6    6    8   64                                       
CONECT    8    9    9    7   65                                       
CONECT    9   10    8    8   66                                       
CONECT   10    5    5    9   67                                       
CONECT   11   12    2   68                                            
CONECT   12   13   20   11   69                                       
CONECT   13   14   12   34   35                                       
CONECT   14   15   19   13   36                                       
CONECT   15   16   14   37   38                                       
CONECT   16   17   15   39   40                                       
CONECT   17   16   18   41   42                                       
CONECT   18   17   19   43   44                                       
CONECT   19   18   14   45   46                                       
CONECT   20   21   12   31   31                                       
CONECT   21   22   20   47                                            
CONECT   22   62   23   21   48                                       
CONECT   23   22   24   49   50                                       
CONECT   24   23   28   25   51                                       
CONECT   25   24   26   52   53                                       
CONECT   26   25   27   54   55                                       
CONECT   27   28   26   56                                            
CONECT   28   29   29   24   27                                       
CONECT   29   28   28                                                 
CONECT   30   62   57                                                 
CONECT   31   20   20                                                 
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   30                                                      
CONECT   58   59   59   60   61                                       
CONECT   58   61   62                                                 
CONECT   59   58   58                                                 
CONECT   60   58   70                                                 
CONECT   61   58   58                                                 
CONECT   62   30   22   58   71                                       
CONECT   63    4                                                      
CONECT   64    7                                                      
CONECT   65    8                                                      
CONECT   66    9                                                      
CONECT   67   10                                                      
CONECT   68   11                                                      
CONECT   69   12                                                      
CONECT   70   60                                                      
CONECT   71   62                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
