COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.804   0.512  -2.392  1.00  0.00           N  
HETATM    2  C   UNL     1       0.502  -0.350  -1.247  1.00  0.00           C  
HETATM    3  C   UNL     1       1.769  -0.554  -0.414  1.00  0.00           C  
HETATM    4  C   UNL     1       2.831  -1.202  -1.266  1.00  0.00           C  
HETATM    5  C   UNL     1       3.710  -0.418  -1.989  1.00  0.00           C  
HETATM    6  C   UNL     1       4.684  -1.012  -2.770  1.00  0.00           C  
HETATM    7  C   UNL     1       4.778  -2.390  -2.827  1.00  0.00           C  
HETATM    8  C   UNL     1       3.899  -3.174  -2.103  1.00  0.00           C  
HETATM    9  C   UNL     1       2.928  -2.580  -1.319  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.559   0.297  -0.395  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.001  -0.322   0.716  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.038   0.304   1.540  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.417  -0.141   1.051  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.602   0.280  -0.407  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.961  -0.159  -0.888  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.049   0.682  -0.749  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.295   0.279  -1.191  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.454  -0.964  -1.772  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.366  -1.805  -1.912  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.118  -1.401  -1.474  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.473   0.329   3.488  1.00  0.00           C  
HETATM   22  S   UNL     1      -0.254  -0.169   5.218  1.00  0.00           S  
HETATM   23  C   UNL     1       1.361   0.417   5.603  1.00  0.00           C  
HETATM   24  C   UNL     1       1.530   1.690   6.115  1.00  0.00           C  
HETATM   25  C   UNL     1       2.798   2.150   6.417  1.00  0.00           C  
HETATM   26  C   UNL     1       3.897   1.337   6.209  1.00  0.00           C  
HETATM   27  C   UNL     1       3.727   0.064   5.698  1.00  0.00           C  
HETATM   28  C   UNL     1       2.459  -0.397   5.400  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.081   0.587   6.090  1.00  0.00           O  
HETATM   30  O   UNL     1      -0.116  -1.578   5.343  1.00  0.00           O  
HETATM   31  O   UNL     1      -1.018   1.373  -0.714  1.00  0.00           O  
HETATM   32  C   UNL     1       1.210  -0.030  -3.556  1.00  0.00           C  
HETATM   33  O   UNL     1       1.256  -1.239  -3.680  1.00  0.00           O  
HETATM   34  N   UNL     1       1.566   0.766  -4.584  1.00  0.00           N  
HETATM   35  C   UNL     1       2.129   0.207  -5.825  1.00  0.00           C  
HETATM   36  C   UNL     1       1.405   0.854  -7.011  1.00  0.00           C  
HETATM   37  O   UNL     1       1.518   2.273  -6.924  1.00  0.00           O  
HETATM   38  C   UNL     1       0.743   2.703  -5.806  1.00  0.00           C  
HETATM   39  C   UNL     1       1.400   2.227  -4.511  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.853  -0.116   2.999  1.00  0.00           C  
HETATM   41  H   UNL     1       0.711   1.474  -2.312  1.00  0.00           H  
HETATM   42  H   UNL     1       0.142  -1.315  -1.604  1.00  0.00           H  
HETATM   43  H   UNL     1       2.129   0.410  -0.057  1.00  0.00           H  
HETATM   44  H   UNL     1       1.545  -1.196   0.437  1.00  0.00           H  
HETATM   45  H   UNL     1       3.636   0.658  -1.944  1.00  0.00           H  
HETATM   46  H   UNL     1       5.371  -0.400  -3.335  1.00  0.00           H  
HETATM   47  H   UNL     1       5.539  -2.854  -3.438  1.00  0.00           H  
HETATM   48  H   UNL     1       3.973  -4.250  -2.148  1.00  0.00           H  
HETATM   49  H   UNL     1       2.242  -3.192  -0.753  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.634  -1.182   0.970  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.958   1.389   1.462  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.497  -1.225   1.129  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.188   0.325   1.665  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.522   1.364  -0.485  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.831  -0.186  -1.020  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.925   1.654  -0.295  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.145   0.936  -1.081  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.428  -1.279  -2.116  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.490  -2.778  -2.365  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.268  -2.058  -1.584  1.00  0.00           H  
HETATM   61  H   UNL     1       0.297  -0.136   2.875  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.393   1.413   3.410  1.00  0.00           H  
HETATM   63  H   UNL     1       0.672   2.325   6.277  1.00  0.00           H  
HETATM   64  H   UNL     1       2.931   3.145   6.816  1.00  0.00           H  
HETATM   65  H   UNL     1       4.887   1.697   6.444  1.00  0.00           H  
HETATM   66  H   UNL     1       4.586  -0.570   5.535  1.00  0.00           H  
HETATM   67  H   UNL     1       2.327  -1.392   5.001  1.00  0.00           H  
HETATM   68  H   UNL     1       3.195   0.430  -5.878  1.00  0.00           H  
HETATM   69  H   UNL     1       1.977  -0.871  -5.845  1.00  0.00           H  
HETATM   70  H   UNL     1       1.855   0.510  -7.942  1.00  0.00           H  
HETATM   71  H   UNL     1       0.352   0.571  -6.991  1.00  0.00           H  
HETATM   72  H   UNL     1       0.681   3.792  -5.804  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.259   2.283  -5.876  1.00  0.00           H  
HETATM   74  H   UNL     1       0.768   2.486  -3.661  1.00  0.00           H  
HETATM   75  H   UNL     1       2.377   2.697  -4.400  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.624   0.350   3.613  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.933  -1.200   3.077  1.00  0.00           H  
CONECT    1    2   32   41                                            
CONECT    2    1    3   10   42                                       
CONECT    3    2    4   43   44                                       
CONECT    4    3    5    5    9                                       
CONECT    5    4    4    6   45                                       
CONECT    6    5    7    7   46                                       
CONECT    7    6    6    8   47                                       
CONECT    8    7    9    9   48                                       
CONECT    9    4    8    8   49                                       
CONECT   10    2   11   31   31                                       
CONECT   11   10   12   50                                            
CONECT   12   11   13   40   51                                       
CONECT   13   12   14   52   53                                       
CONECT   14   13   15   54   55                                       
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   56                                       
CONECT   17   16   18   18   57                                       
CONECT   18   17   17   19   58                                       
CONECT   19   18   20   20   59                                       
CONECT   20   15   19   19   60                                       
CONECT   21   22   40   61   62                                       
CONECT   22   21   23   29   29                                       
CONECT   22   30   30                                                 
CONECT   23   22   24   24   28                                       
CONECT   24   23   23   25   63                                       
CONECT   25   24   26   26   64                                       
CONECT   26   25   25   27   65                                       
CONECT   27   26   28   28   66                                       
CONECT   28   23   27   27   67                                       
CONECT   29   22   22                                                 
CONECT   30   22   22                                                 
CONECT   31   10   10                                                 
CONECT   32    1   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   35   39                                            
CONECT   35   34   36   68   69                                       
CONECT   36   35   37   70   71                                       
CONECT   37   36   38                                                 
CONECT   38   37   39   72   73                                       
CONECT   39   34   38   74   75                                       
CONECT   40   12   21   76   77                                       
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   38                                                      
CONECT   73   38                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   40                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
