COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.911  -0.716  -0.293  1.00  0.00           C  
HETATM    2  C   UNL     1       6.876  -1.135   0.622  1.00  0.00           C  
HETATM    3  C   UNL     1       8.200  -0.797   0.427  1.00  0.00           C  
HETATM    4  C   UNL     1       8.569  -0.043  -0.673  1.00  0.00           C  
HETATM    5  C   UNL     1       7.615   0.375  -1.583  1.00  0.00           C  
HETATM    6  C   UNL     1       6.290   0.038  -1.402  1.00  0.00           C  
HETATM    7  S   UNL     1       2.323  -2.365   0.344  1.00  0.00           S  
HETATM    8  C   UNL     1       4.067  -2.323   0.162  1.00  0.00           C  
HETATM    9  C   UNL     1       4.487  -1.077  -0.090  1.00  0.00           C  
HETATM   10  C   UNL     1       3.398  -0.116  -0.142  1.00  0.00           C  
HETATM   11  C   UNL     1       3.590   1.312  -0.401  1.00  0.00           C  
HETATM   12  N   UNL     1       3.793   2.162   0.625  1.00  0.00           N  
HETATM   13  C   UNL     1       3.985   3.591   0.366  1.00  0.00           C  
HETATM   14  C   UNL     1       4.194   4.327   1.691  1.00  0.00           C  
HETATM   15  O   UNL     1       3.566   1.732  -1.543  1.00  0.00           O  
HETATM   16  C   UNL     1       2.175  -0.688   0.077  1.00  0.00           C  
HETATM   17  N   UNL     1       0.974   0.004   0.080  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.182  -0.652   0.306  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.487   0.101   0.310  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.590  -0.833   0.577  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.881  -0.133   0.588  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.003  -1.135   0.869  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.171  -1.848   0.507  1.00  0.00           O  
HETATM   24  C   UNL     1      -8.292   0.564   0.215  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.160  -0.107  -0.284  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.327  -0.417   0.881  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.968   0.060   1.960  1.00  0.00           C  
HETATM   28  N   UNL     1      -8.144   0.649   1.582  1.00  0.00           N  
HETATM   29  C   UNL     1      -7.037  -0.339  -1.655  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.017   0.088  -2.506  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.135   0.751  -2.019  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.279   0.986  -0.669  1.00  0.00           C  
HETATM   33  H   UNL     1       6.589  -1.723   1.481  1.00  0.00           H  
HETATM   34  H   UNL     1       8.948  -1.120   1.135  1.00  0.00           H  
HETATM   35  H   UNL     1       9.606   0.220  -0.821  1.00  0.00           H  
HETATM   36  H   UNL     1       7.911   0.960  -2.442  1.00  0.00           H  
HETATM   37  H   UNL     1       5.546   0.365  -2.114  1.00  0.00           H  
HETATM   38  H   UNL     1       4.714  -3.184   0.242  1.00  0.00           H  
HETATM   39  H   UNL     1       3.812   1.828   1.535  1.00  0.00           H  
HETATM   40  H   UNL     1       4.860   3.731  -0.269  1.00  0.00           H  
HETATM   41  H   UNL     1       3.104   3.991  -0.137  1.00  0.00           H  
HETATM   42  H   UNL     1       5.075   3.927   2.194  1.00  0.00           H  
HETATM   43  H   UNL     1       4.337   5.390   1.498  1.00  0.00           H  
HETATM   44  H   UNL     1       3.319   4.187   2.326  1.00  0.00           H  
HETATM   45  H   UNL     1       0.965   0.961  -0.080  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.463   0.866   1.085  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.638   0.572  -0.662  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.594  -1.589  -0.091  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.874   0.631   1.366  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.048   0.337  -0.381  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.010  -1.899   0.092  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.835  -1.605   1.839  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.609  -0.012   2.976  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.778   1.065   2.186  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.170  -0.854  -2.041  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.921  -0.092  -3.567  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.901   1.083  -2.704  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.153   1.502  -0.299  1.00  0.00           H  
CONECT    1    6    9    2    2                                       
CONECT    2    1    1    3   33                                       
CONECT    3    4    4    2   34                                       
CONECT    4    5    3    3   35                                       
CONECT    5    6    6    4   36                                       
CONECT    6    5    5    1   37                                       
CONECT    7    8   16                                                 
CONECT    8    9    9    7   38                                       
CONECT    9    1    8    8   10                                       
CONECT   10    9   16   16   11                                       
CONECT   11   12   10   15   15                                       
CONECT   12   13   11   39                                            
CONECT   13   14   12   40   41                                       
CONECT   14   13   42   43   44                                       
CONECT   15   11   11                                                 
CONECT   16   10   10   17    7                                       
CONECT   17   16   18   45                                            
CONECT   18   17   19   23   23                                       
CONECT   19   18   20   46   47                                       
CONECT   20   19   21   48                                            
CONECT   21   20   22   49   50                                       
CONECT   22   21   26   51   52                                       
CONECT   23   18   18                                                 
CONECT   24   32   32   25   28                                       
CONECT   25   29   29   24   26                                       
CONECT   26   25   27   27   22                                       
CONECT   27   28   26   26   53                                       
CONECT   28   24   27   54                                            
CONECT   29   30   25   25   55                                       
CONECT   30   31   31   29   56                                       
CONECT   31   30   30   32   57                                       
CONECT   32   31   24   24   58                                       
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    8                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   17                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
