COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.650   1.012   2.452  1.00  0.00           C  
HETATM    2  C   UNL     1       2.166   1.191   2.783  1.00  0.00           C  
HETATM    3  C   UNL     1       2.024   1.785   4.186  1.00  0.00           C  
HETATM    4  C   UNL     1       3.785   0.474   1.024  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.847  -2.436   0.888  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.096  -2.787   2.204  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.293  -3.731   2.695  1.00  0.00           C  
HETATM    8  S   UNL     1      -7.145  -4.231   1.460  1.00  0.00           S  
HETATM    9  C   UNL     1      -7.841  -3.095   0.312  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.377  -2.901  -1.109  1.00  0.00           C  
HETATM   11  O   UNL     1      -6.370  -1.888  -1.146  1.00  0.00           O  
HETATM   12  C   UNL     1      -5.858  -1.625  -2.454  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.809  -0.546  -2.376  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.386   0.092  -1.260  1.00  0.00           C  
HETATM   15  N   UNL     1      -4.108  -0.036  -3.395  1.00  0.00           N  
HETATM   16  N   UNL     1      -3.308   0.863  -2.941  1.00  0.00           N  
HETATM   17  N   UNL     1      -3.441   0.973  -1.665  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.696   1.890  -0.800  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.194   1.678  -1.003  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.843   0.347  -0.617  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.034   3.239  -1.132  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.378   4.220  -0.326  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.836   5.617  -0.750  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.229   5.768  -0.470  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.863   4.101  -0.510  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.203   5.042   0.338  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.422   2.681  -0.141  1.00  0.00           C  
HETATM   28  O   UNL     1       0.980   2.539  -0.380  1.00  0.00           O  
HETATM   29  C   UNL     1       1.624   1.599   0.482  1.00  0.00           C  
HETATM   30  C   UNL     1       3.086   1.436   0.059  1.00  0.00           C  
HETATM   31  O   UNL     1       3.143   0.908  -1.268  1.00  0.00           O  
HETATM   32  O   UNL     1       1.569   2.072   1.829  1.00  0.00           O  
HETATM   33  O   UNL     1       0.641   1.843   4.540  1.00  0.00           O  
HETATM   34  O   UNL     1       4.236   0.087   3.370  1.00  0.00           O  
HETATM   35  O   UNL     1       5.169   0.373   0.680  1.00  0.00           O  
HETATM   36  C   UNL     1       5.462  -0.671  -0.250  1.00  0.00           C  
HETATM   37  O   UNL     1       5.182  -1.937   0.351  1.00  0.00           O  
HETATM   38  C   UNL     1       5.418  -3.055  -0.507  1.00  0.00           C  
HETATM   39  C   UNL     1       5.060  -4.348   0.229  1.00  0.00           C  
HETATM   40  O   UNL     1       3.657  -4.369   0.500  1.00  0.00           O  
HETATM   41  C   UNL     1       6.896  -3.088  -0.906  1.00  0.00           C  
HETATM   42  O   UNL     1       7.122  -4.171  -1.810  1.00  0.00           O  
HETATM   43  C   UNL     1       7.261  -1.766  -1.589  1.00  0.00           C  
HETATM   44  O   UNL     1       8.656  -1.758  -1.899  1.00  0.00           O  
HETATM   45  C   UNL     1       6.941  -0.608  -0.639  1.00  0.00           C  
HETATM   46  O   UNL     1       7.210   0.634  -1.293  1.00  0.00           O  
HETATM   47  H   UNL     1       4.158   1.973   2.529  1.00  0.00           H  
HETATM   48  H   UNL     1       1.666   0.223   2.745  1.00  0.00           H  
HETATM   49  H   UNL     1       2.556   1.158   4.901  1.00  0.00           H  
HETATM   50  H   UNL     1       2.445   2.790   4.199  1.00  0.00           H  
HETATM   51  H   UNL     1       3.319  -0.510   0.959  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.426  -1.688   0.367  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.882  -2.330   2.788  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.340  -4.128   3.699  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.965  -3.837  -1.487  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.220  -2.598  -1.729  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.415  -2.534  -2.861  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.670  -1.295  -3.103  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.732  -0.068  -0.250  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.953   1.697   0.242  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.943   1.831  -2.053  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.299  -0.342  -1.120  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.631   4.057   0.722  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.271   6.368  -0.197  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.663   5.747  -1.818  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.588   6.632  -0.714  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.606   4.304  -1.550  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.440   5.963   0.163  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.634   2.496   0.912  1.00  0.00           H  
HETATM   70  H   UNL     1       1.117   0.636   0.415  1.00  0.00           H  
HETATM   71  H   UNL     1       3.583   2.406   0.087  1.00  0.00           H  
HETATM   72  H   UNL     1       2.719   1.467  -1.933  1.00  0.00           H  
HETATM   73  H   UNL     1       0.475   2.210   5.420  1.00  0.00           H  
HETATM   74  H   UNL     1       4.181   0.363   4.295  1.00  0.00           H  
HETATM   75  H   UNL     1       4.846  -0.548  -1.141  1.00  0.00           H  
HETATM   76  H   UNL     1       4.802  -2.964  -1.401  1.00  0.00           H  
HETATM   77  H   UNL     1       5.323  -5.204  -0.392  1.00  0.00           H  
HETATM   78  H   UNL     1       5.612  -4.397   1.168  1.00  0.00           H  
HETATM   79  H   UNL     1       3.358  -5.161   0.966  1.00  0.00           H  
HETATM   80  H   UNL     1       7.511  -3.220  -0.016  1.00  0.00           H  
HETATM   81  H   UNL     1       8.040  -4.252  -2.105  1.00  0.00           H  
HETATM   82  H   UNL     1       6.682  -1.657  -2.506  1.00  0.00           H  
HETATM   83  H   UNL     1       8.958  -0.949  -2.334  1.00  0.00           H  
HETATM   84  H   UNL     1       7.557  -0.690   0.257  1.00  0.00           H  
HETATM   85  H   UNL     1       7.030   1.412  -0.748  1.00  0.00           H  
CONECT    1   34    4    2   47                                       
CONECT    2    1    3   32   48                                       
CONECT    3    2   33   49   50                                       
CONECT    4   35    1   30   51                                       
CONECT    5    6    9    9   52                                       
CONECT    6    7    7    5   53                                       
CONECT    7    6    6    8   54                                       
CONECT    8    7    9                                                 
CONECT    9    8    5    5   10                                       
CONECT   10    9   11   55   56                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   57   58                                       
CONECT   13   12   15   14   14                                       
CONECT   14   13   13   17   59                                       
CONECT   15   13   16   16                                            
CONECT   16   15   15   17                                            
CONECT   17   14   16   18                                            
CONECT   18   17   19   21   60                                       
CONECT   19   20   18   27   61                                       
CONECT   20   19   62                                                 
CONECT   21   18   22                                                 
CONECT   22   21   25   23   63                                       
CONECT   23   22   24   64   65                                       
CONECT   24   23   66                                                 
CONECT   25   27   22   26   67                                       
CONECT   26   25   68                                                 
CONECT   27   19   28   25   69                                       
CONECT   28   29   27                                                 
CONECT   29   30   28   32   70                                       
CONECT   30   31    4   29   71                                       
CONECT   31   30   72                                                 
CONECT   32    2   29                                                 
CONECT   33    3   73                                                 
CONECT   34    1   74                                                 
CONECT   35   36    4                                                 
CONECT   36   37   45   35   75                                       
CONECT   37   38   36                                                 
CONECT   38   39   41   37   76                                       
CONECT   39   40   38   77   78                                       
CONECT   40   39   79                                                 
CONECT   41   42   38   43   80                                       
CONECT   42   41   81                                                 
CONECT   43   41   44   45   82                                       
CONECT   44   43   83                                                 
CONECT   45   43   36   46   84                                       
CONECT   46   45   85                                                 
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   12                                                      
CONECT   58   12                                                      
CONECT   59   14                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   36                                                      
CONECT   76   38                                                      
CONECT   77   39                                                      
CONECT   78   39                                                      
CONECT   79   40                                                      
CONECT   80   41                                                      
CONECT   81   42                                                      
CONECT   82   43                                                      
CONECT   83   44                                                      
CONECT   84   45                                                      
CONECT   85   46                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
