COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.464  -0.231  -0.413  1.00  0.00           C  
HETATM    2  C   UNL     1       9.628  -0.501  -1.481  1.00  0.00           C  
HETATM    3  C   UNL     1       8.276  -0.244  -1.385  1.00  0.00           C  
HETATM    4  C   UNL     1       7.752   0.290  -0.205  1.00  0.00           C  
HETATM    5  C   UNL     1       8.603   0.560   0.870  1.00  0.00           C  
HETATM    6  C   UNL     1       9.953   0.298   0.759  1.00  0.00           C  
HETATM    7  C   UNL     1       6.350   0.560  -0.098  1.00  0.00           C  
HETATM    8  C   UNL     1       5.200   0.781  -0.010  1.00  0.00           C  
HETATM    9  C   UNL     1       3.798   1.051   0.097  1.00  0.00           C  
HETATM   10  C   UNL     1       3.274   1.585   1.277  1.00  0.00           C  
HETATM   11  C   UNL     1       1.922   1.842   1.373  1.00  0.00           C  
HETATM   12  C   UNL     1       1.086   1.573   0.304  1.00  0.00           C  
HETATM   13  C   UNL     1       1.597   1.044  -0.868  1.00  0.00           C  
HETATM   14  C   UNL     1       2.948   0.787  -0.980  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.391   1.851   0.419  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.102   0.612   0.967  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.580   0.935   1.202  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.281  -0.297   1.783  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.047  -1.440   0.890  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.665  -1.781   0.526  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.982  -0.533  -0.041  1.00  0.00           C  
HETATM   22  C   UNL     1      11.939  -0.520  -0.524  1.00  0.00           C  
HETATM   23  O   UNL     1      12.197  -1.856  -0.088  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.081  -2.162   0.414  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.492  -1.799   0.796  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.875  -3.103  -0.323  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.968  -0.625  -0.061  1.00  0.00           C  
HETATM   28  N   UNL     1      -6.372  -2.955   0.574  1.00  0.00           N  
HETATM   29  C   UNL     1      -7.401  -0.257   0.327  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.928  -0.995  -1.441  1.00  0.00           O  
HETATM   31  S   UNL     1      -7.964   1.136  -0.690  1.00  0.00           S  
HETATM   32  C   UNL     1      -9.649   1.395  -0.071  1.00  0.00           C  
HETATM   33  O   UNL     1      -7.182   2.278  -0.366  1.00  0.00           O  
HETATM   34  O   UNL     1      -8.040   0.708  -2.043  1.00  0.00           O  
HETATM   35  H   UNL     1      10.034  -0.914  -2.393  1.00  0.00           H  
HETATM   36  H   UNL     1       7.624  -0.455  -2.220  1.00  0.00           H  
HETATM   37  H   UNL     1       8.205   0.973   1.785  1.00  0.00           H  
HETATM   38  H   UNL     1      10.611   0.502   1.590  1.00  0.00           H  
HETATM   39  H   UNL     1       3.926   1.796   2.112  1.00  0.00           H  
HETATM   40  H   UNL     1       1.516   2.255   2.284  1.00  0.00           H  
HETATM   41  H   UNL     1       0.939   0.836  -1.698  1.00  0.00           H  
HETATM   42  H   UNL     1       3.346   0.374  -1.896  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.551   2.691   1.095  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.792   2.095  -0.565  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.641   0.316   1.909  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.664   1.766   1.902  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.047   1.207   0.256  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.875  -0.516   2.771  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.351  -0.105   1.862  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.128  -2.121   1.411  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.669  -2.569  -0.227  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.465  -0.247  -0.976  1.00  0.00           H  
HETATM   53  H   UNL     1       0.071  -0.746  -0.226  1.00  0.00           H  
HETATM   54  H   UNL     1      12.254  -0.409  -1.561  1.00  0.00           H  
HETATM   55  H   UNL     1      12.495   0.180   0.101  1.00  0.00           H  
HETATM   56  H   UNL     1      13.129  -2.112  -0.132  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.523  -1.517   1.848  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.315   0.233   0.103  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.361  -3.236  -0.395  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.119  -3.723   1.177  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.054  -1.114   0.162  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.431   0.026   1.379  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.487  -1.753  -1.661  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.613   1.629   0.993  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.111   2.222  -0.609  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.236   0.489  -0.224  1.00  0.00           H  
CONECT    1    2    2    6   22                                       
CONECT    2    3    1    1   35                                       
CONECT    3    4    4    2   36                                       
CONECT    4    7    3    3    5                                       
CONECT    5    4    6    6   37                                       
CONECT    6    5    5    1   38                                       
CONECT    7    8    8    8    4                                       
CONECT    8    9    7    7    7                                       
CONECT    9   14   14   10    8                                       
CONECT   10   11   11    9   39                                       
CONECT   11   12   10   10   40                                       
CONECT   12   15   13   13   11                                       
CONECT   13   12   12   14   41                                       
CONECT   14   13    9    9   42                                       
CONECT   15   16   12   43   44                                       
CONECT   16   21   17   15   45                                       
CONECT   17   18   16   46   47                                       
CONECT   18   19   17   48   49                                       
CONECT   19   24   20   18                                            
CONECT   20   19   21   50   51                                       
CONECT   21   20   16   52   53                                       
CONECT   22    1   23   54   55                                       
CONECT   23   22   56                                                 
CONECT   24   25   26   26   19                                       
CONECT   25   28   24   27   57                                       
CONECT   26   24   24                                                 
CONECT   27   30   25   29   58                                       
CONECT   28   25   59   60                                            
CONECT   29   27   31   61   62                                       
CONECT   30   27   63                                                 
CONECT   31   33   33   29   34                                       
CONECT   31   34   32                                                 
CONECT   32   31   64   65   66                                       
CONECT   33   31   31                                                 
CONECT   34   31   31                                                 
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   25                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
