COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.550  -0.456   0.439  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.042  -0.654  -0.423  1.00  0.00           C  
HETATM    3  C   UNL     1       1.382  -0.282  -0.745  1.00  0.00           C  
HETATM    4  C   UNL     1       5.516  -0.894  -0.871  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.049  -0.061  -0.362  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.510   1.205  -0.243  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.132   2.150   0.563  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.294   1.818   1.247  1.00  0.00           C  
HETATM    9  C   UNL     1       5.670  -0.638   1.548  1.00  0.00           C  
HETATM   10  C   UNL     1       4.287  -0.429   1.606  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.682   4.095   1.856  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.956  -0.741  -1.410  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.375  -1.087  -1.236  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.020  -1.089  -2.638  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.806  -1.298  -3.580  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.700  -0.499  -2.841  1.00  0.00           C  
HETATM   17  N   UNL     1       8.379  -1.051   1.390  1.00  0.00           N  
HETATM   18  C   UNL     1       7.815  -0.833   2.571  1.00  0.00           C  
HETATM   19  C   UNL     1       6.478  -0.623   2.703  1.00  0.00           C  
HETATM   20  C   UNL     1       7.689  -1.080   0.265  1.00  0.00           C  
HETATM   21  C   UNL     1       6.292  -0.873   0.295  1.00  0.00           C  
HETATM   22  C   UNL     1       4.172  -0.688  -0.793  1.00  0.00           C  
HETATM   23  N   UNL     1       2.171  -0.255   0.489  1.00  0.00           N  
HETATM   24  O   UNL     1      -0.366  -0.875   0.725  1.00  0.00           O  
HETATM   25  N   UNL     1       8.331  -1.311  -0.939  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.828   0.550   1.123  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.203  -0.390   0.324  1.00  0.00           C  
HETATM   28  S   UNL     1      -4.888  -2.006   0.169  1.00  0.00           S  
HETATM   29  O   UNL     1      -6.290  -1.788   0.097  1.00  0.00           O  
HETATM   30  O   UNL     1      -4.179  -2.584  -0.919  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.451  -2.833   1.724  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.932  -4.285   1.681  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.933  -2.804   1.908  1.00  0.00           C  
HETATM   34  N   UNL     1      -2.588   3.433   0.686  1.00  0.00           N  
HETATM   35  O   UNL     1      -3.153   3.545   2.829  1.00  0.00           O  
HETATM   36  C   UNL     1       1.411   1.080  -1.390  1.00  0.00           C  
HETATM   37  C   UNL     1       1.522   1.192  -2.763  1.00  0.00           C  
HETATM   38  C   UNL     1       1.549   2.442  -3.355  1.00  0.00           C  
HETATM   39  C   UNL     1       1.466   3.579  -2.573  1.00  0.00           C  
HETATM   40  C   UNL     1       1.355   3.466  -1.199  1.00  0.00           C  
HETATM   41  C   UNL     1       1.322   2.217  -0.609  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.202   5.521   1.956  1.00  0.00           C  
HETATM   43  H   UNL     1       1.804  -1.017  -1.430  1.00  0.00           H  
HETATM   44  H   UNL     1       5.981  -1.072  -1.829  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.606   1.460  -0.775  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.780   2.550   1.875  1.00  0.00           H  
HETATM   47  H   UNL     1       3.802  -0.249   2.553  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.463  -2.074  -0.784  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.730  -1.910  -2.734  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.505  -0.133  -2.840  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.546  -2.354  -3.653  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.999  -0.875  -4.566  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.783   0.564  -3.067  1.00  0.00           H  
HETATM   54  H   UNL     1       0.286  -0.871  -3.119  1.00  0.00           H  
HETATM   55  H   UNL     1       8.437  -0.822   3.454  1.00  0.00           H  
HETATM   56  H   UNL     1       6.043  -0.447   3.676  1.00  0.00           H  
HETATM   57  H   UNL     1       3.578  -0.705  -1.695  1.00  0.00           H  
HETATM   58  H   UNL     1       1.734  -0.098   1.340  1.00  0.00           H  
HETATM   59  H   UNL     1       9.291  -1.453  -0.957  1.00  0.00           H  
HETATM   60  H   UNL     1       7.822  -1.332  -1.764  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.732   0.292   1.655  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.928  -2.317   2.556  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.455  -4.802   0.848  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.670  -4.782   2.615  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.014  -4.306   1.550  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.590  -1.770   1.938  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.670  -3.301   2.842  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.455  -3.320   1.075  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.143   3.846  -0.070  1.00  0.00           H  
HETATM   70  H   UNL     1       1.588   0.304  -3.374  1.00  0.00           H  
HETATM   71  H   UNL     1       1.636   2.529  -4.428  1.00  0.00           H  
HETATM   72  H   UNL     1       1.487   4.555  -3.035  1.00  0.00           H  
HETATM   73  H   UNL     1       1.290   4.354  -0.589  1.00  0.00           H  
HETATM   74  H   UNL     1       1.236   2.129   0.464  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.359   5.886   2.971  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.141   5.564   1.714  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.761   6.142   1.256  1.00  0.00           H  
CONECT    1   23   22   22   10                                       
CONECT    2   24   24   12    3                                       
CONECT    3    2   23   36   43                                       
CONECT    4   22   21   21   44                                       
CONECT    5   27   27    6   13                                       
CONECT    6    7    7    5   45                                       
CONECT    7    8   34    6    6                                       
CONECT    8   26   26    7   46                                       
CONECT    9   10   10   21   19                                       
CONECT   10    1    9    9   47                                       
CONECT   11   34   42   35   35                                       
CONECT   12   13    2   16                                            
CONECT   13    5   14   12   48                                       
CONECT   14   13   15   49   50                                       
CONECT   15   14   16   51   52                                       
CONECT   16   12   15   53   54                                       
CONECT   17   20   20   18                                            
CONECT   18   19   19   17   55                                       
CONECT   19    9   18   18   56                                       
CONECT   20   21   25   17   17                                       
CONECT   21    4    4    9   20                                       
CONECT   22    1    1    4   57                                       
CONECT   23    3    1   58                                            
CONECT   24    2    2                                                 
CONECT   25   20   59   60                                            
CONECT   26    8    8   27   61                                       
CONECT   27   26   28    5    5                                       
CONECT   28   29   29   31   27                                       
CONECT   28   30   30                                                 
CONECT   29   28   28                                                 
CONECT   30   28   28                                                 
CONECT   31   33   28   32   62                                       
CONECT   32   31   63   64   65                                       
CONECT   33   31   66   67   68                                       
CONECT   34    7   11   69                                            
CONECT   35   11   11                                                 
CONECT   36   41    3   37   37                                       
CONECT   37   36   36   38   70                                       
CONECT   38   39   39   37   71                                       
CONECT   39   40   38   38   72                                       
CONECT   40   41   41   39   73                                       
CONECT   41   40   40   36   74                                       
CONECT   42   11   75   76   77                                       
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46    8                                                      
CONECT   47   10                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
CONECT   73   40                                                      
CONECT   74   41                                                      
CONECT   75   42                                                      
CONECT   76   42                                                      
CONECT   77   42                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
