COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.134  -1.369   0.091  1.00  0.00           C  
HETATM    2  C   UNL     1       0.621  -1.562   0.216  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.979  -0.559  -0.326  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.428  -1.878  -0.959  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.833  -2.195  -0.516  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.905  -1.851  -1.319  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.339  -3.127   1.095  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.050  -2.836   0.689  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.815   0.570  -0.870  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.415   1.221  -1.811  1.00  0.00           O  
HETATM   11  C   UNL     1       3.643   0.527   0.347  1.00  0.00           C  
HETATM   12  C   UNL     1       4.041   1.821   1.008  1.00  0.00           C  
HETATM   13  C   UNL     1       5.324   2.324   0.397  1.00  0.00           C  
HETATM   14  C   UNL     1       5.294   3.165  -0.699  1.00  0.00           C  
HETATM   15  C   UNL     1       7.594   3.273  -0.760  1.00  0.00           C  
HETATM   16  C   UNL     1       7.702   2.441   0.338  1.00  0.00           C  
HETATM   17  C   UNL     1       6.548   1.954   0.932  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.194  -2.142  -0.912  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.411  -2.778   0.296  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.820   1.954  -0.840  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.095   2.065  -0.043  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.153   2.872   1.076  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.358   2.316   1.444  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.377   1.493   0.334  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.226   1.361  -0.429  1.00  0.00           C  
HETATM   26  C   UNL     1       2.855  -2.533   0.774  1.00  0.00           C  
HETATM   27  C   UNL     1       4.339  -2.408   0.546  1.00  0.00           C  
HETATM   28  C   UNL     1       5.120  -1.702   1.442  1.00  0.00           C  
HETATM   29  C   UNL     1       6.481  -1.587   1.232  1.00  0.00           C  
HETATM   30  C   UNL     1       7.062  -2.178   0.126  1.00  0.00           C  
HETATM   31  C   UNL     1       6.282  -2.885  -0.770  1.00  0.00           C  
HETATM   32  C   UNL     1       4.921  -3.004  -0.557  1.00  0.00           C  
HETATM   33  N   UNL     1       6.412   3.609  -1.239  1.00  0.00           N  
HETATM   34  N   UNL     1       2.520  -0.110   0.734  1.00  0.00           N  
HETATM   35  N   UNL     1      -4.008   0.856  -0.310  1.00  0.00           N  
HETATM   36  N   UNL     1      -7.265   2.974   1.778  1.00  0.00           N  
HETATM   37  O   UNL     1       4.333   0.059  -0.534  1.00  0.00           O  
HETATM   38  S   UNL     1      -0.233  -0.263  -0.718  1.00  0.00           S  
HETATM   39  H   UNL     1       2.411  -1.338  -0.963  1.00  0.00           H  
HETATM   40  H   UNL     1       0.345  -2.538  -0.183  1.00  0.00           H  
HETATM   41  H   UNL     1       0.333  -1.503   1.266  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.104  -0.615   0.756  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.401  -1.786  -2.045  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.759  -2.678  -0.645  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.736  -1.354  -2.262  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.508  -3.624   2.039  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.212  -3.109   1.313  1.00  0.00           H  
HETATM   48  H   UNL     1       3.254   2.561   0.861  1.00  0.00           H  
HETATM   49  H   UNL     1       4.188   1.654   2.075  1.00  0.00           H  
HETATM   50  H   UNL     1       4.344   3.461  -1.119  1.00  0.00           H  
HETATM   51  H   UNL     1       8.488   3.657  -1.229  1.00  0.00           H  
HETATM   52  H   UNL     1       8.673   2.170   0.725  1.00  0.00           H  
HETATM   53  H   UNL     1       6.601   1.302   1.791  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.031  -1.872  -1.538  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.418  -3.005   0.613  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.060   1.758  -1.884  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.263   2.888  -0.764  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.278   3.427   1.380  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.250   2.424   2.043  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.276   0.960   0.063  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.212   0.726  -1.302  1.00  0.00           H  
HETATM   62  H   UNL     1       2.649  -2.510   1.844  1.00  0.00           H  
HETATM   63  H   UNL     1       2.501  -3.475   0.356  1.00  0.00           H  
HETATM   64  H   UNL     1       4.665  -1.239   2.306  1.00  0.00           H  
HETATM   65  H   UNL     1       7.090  -1.035   1.932  1.00  0.00           H  
HETATM   66  H   UNL     1       8.125  -2.084  -0.040  1.00  0.00           H  
HETATM   67  H   UNL     1       6.736  -3.346  -1.634  1.00  0.00           H  
HETATM   68  H   UNL     1       4.312  -3.556  -1.257  1.00  0.00           H  
HETATM   69  H   UNL     1       1.968   0.264   1.438  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.327   0.336   0.443  1.00  0.00           H  
CONECT    1   26    2   34   39                                       
CONECT    2    1   38   40   41                                       
CONECT    3    9   38    4   42                                       
CONECT    4    3    5   43   44                                       
CONECT    5    4    6    6    8                                       
CONECT    6    5    5   18   45                                       
CONECT    7    8    8   19   46                                       
CONECT    8    5    7    7   47                                       
CONECT    9   10   10   35    3                                       
CONECT   10    9    9                                                 
CONECT   11   34   37   37   12                                       
CONECT   12   13   11   48   49                                       
CONECT   13   17   17   14   12                                       
CONECT   14   33   33   13   50                                       
CONECT   15   16   16   33   51                                       
CONECT   16   15   15   17   52                                       
CONECT   17   16   13   13   53                                       
CONECT   18    6   19   19   54                                       
CONECT   19   18   18    7   55                                       
CONECT   20   21   35   56   57                                       
CONECT   21   25   20   22   22                                       
CONECT   22   21   21   36   58                                       
CONECT   23   24   36   36   59                                       
CONECT   24   25   25   23   60                                       
CONECT   25   24   24   21   61                                       
CONECT   26   27    1   62   63                                       
CONECT   27   32   32   28   26                                       
CONECT   28   29   29   27   64                                       
CONECT   29   30   28   28   65                                       
CONECT   30   31   31   29   66                                       
CONECT   31   30   30   32   67                                       
CONECT   32   31   27   27   68                                       
CONECT   33   15   14   14                                            
CONECT   34    1   11   69                                            
CONECT   35   20    9   70                                            
CONECT   36   23   23   22                                            
CONECT   37   11   11                                                 
CONECT   38    2    3                                                 
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
