COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.347   1.820  -0.433  1.00  0.00           C  
HETATM    2  C   UNL     1       1.898   0.460   0.038  1.00  0.00           C  
HETATM    3  C   UNL     1       3.401   2.534   0.289  1.00  0.00           C  
HETATM    4  O   UNL     1       1.835   2.322  -1.412  1.00  0.00           O  
HETATM    5  S   UNL     1       4.117   4.136  -0.045  1.00  0.00           S  
HETATM    6  C   UNL     1       5.244   4.158   1.277  1.00  0.00           C  
HETATM    7  C   UNL     1       4.992   2.952   1.869  1.00  0.00           C  
HETATM    8  N   UNL     1       4.077   2.166   1.374  1.00  0.00           N  
HETATM    9  C   UNL     1       2.955  -0.583  -0.332  1.00  0.00           C  
HETATM   10  C   UNL     1       2.560  -1.939   0.254  1.00  0.00           C  
HETATM   11  N   UNL     1       0.626   0.117  -0.602  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.535   0.543  -0.067  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.834   0.287  -0.786  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.001   1.305  -1.916  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.265   0.979  -2.714  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.119   2.711  -1.324  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.948   0.419   0.157  1.00  0.00           N  
HETATM   18  C   UNL     1      -4.109  -0.225  -0.077  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.254  -0.090   0.893  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.443  -0.914   0.396  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.606  -0.777   1.380  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.095   0.673   1.393  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.750  -1.697   0.950  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.231  -0.913  -1.069  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.534   1.132   0.993  1.00  0.00           O  
HETATM   26  C   UNL     1       3.616  -2.982  -0.117  1.00  0.00           C  
HETATM   27  N   UNL     1       3.237  -4.285   0.447  1.00  0.00           N  
HETATM   28  C   UNL     1       4.286  -5.235   0.056  1.00  0.00           C  
HETATM   29  N   UNL     1       4.170  -6.454   0.868  1.00  0.00           N  
HETATM   30  N   UNL     1       4.134  -5.577  -1.365  1.00  0.00           N  
HETATM   31  H   UNL     1       1.767   0.476   1.120  1.00  0.00           H  
HETATM   32  H   UNL     1       5.955   4.921   1.556  1.00  0.00           H  
HETATM   33  H   UNL     1       5.546   2.654   2.746  1.00  0.00           H  
HETATM   34  H   UNL     1       3.022  -0.661  -1.417  1.00  0.00           H  
HETATM   35  H   UNL     1       3.921  -0.280   0.071  1.00  0.00           H  
HETATM   36  H   UNL     1       2.492  -1.860   1.339  1.00  0.00           H  
HETATM   37  H   UNL     1       1.593  -2.242  -0.149  1.00  0.00           H  
HETATM   38  H   UNL     1       0.620  -0.418  -1.412  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.827  -0.720  -1.202  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.134   1.260  -2.576  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.141   1.133  -2.084  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.325   1.633  -3.584  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.231  -0.060  -3.041  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.218   2.943  -0.756  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.237   3.435  -2.129  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.986   2.755  -0.664  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.850   0.969   0.950  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.544   0.958   0.968  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.945  -0.453   1.873  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.153  -1.962   0.320  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.753  -0.551  -0.585  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.271  -1.056   2.379  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.430   0.952   0.394  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.924   0.771   2.095  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.281   1.329   1.700  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.085  -1.418  -0.049  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.402  -2.730   0.941  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.579  -1.600   1.652  1.00  0.00           H  
HETATM   59  H   UNL     1       3.683  -3.061  -1.202  1.00  0.00           H  
HETATM   60  H   UNL     1       4.582  -2.680   0.286  1.00  0.00           H  
HETATM   61  H   UNL     1       3.288  -4.193   1.450  1.00  0.00           H  
HETATM   62  H   UNL     1       5.265  -4.783   0.218  1.00  0.00           H  
HETATM   63  H   UNL     1       4.907  -7.075   0.566  1.00  0.00           H  
HETATM   64  H   UNL     1       4.383  -6.191   1.818  1.00  0.00           H  
HETATM   65  H   UNL     1       4.805  -6.304  -1.562  1.00  0.00           H  
HETATM   66  H   UNL     1       3.219  -5.990  -1.467  1.00  0.00           H  
CONECT    1    2    3    4    4                                       
CONECT    2    1    9   11   31                                       
CONECT    3    1    5    8    8                                       
CONECT    4    1    1                                                 
CONECT    5    3    6                                                 
CONECT    6    5    7    7   32                                       
CONECT    7    6    6    8   33                                       
CONECT    8    3    3    7                                            
CONECT    9    2   10   34   35                                       
CONECT   10    9   26   36   37                                       
CONECT   11    2   12   38                                            
CONECT   12   11   13   25   25                                       
CONECT   13   12   14   17   39                                       
CONECT   14   13   15   16   40                                       
CONECT   15   14   41   42   43                                       
CONECT   16   14   44   45   46                                       
CONECT   17   13   18   47                                            
CONECT   18   17   19   24   24                                       
CONECT   19   18   20   48   49                                       
CONECT   20   19   21   50   51                                       
CONECT   21   20   22   23   52                                       
CONECT   22   21   53   54   55                                       
CONECT   23   21   56   57   58                                       
CONECT   24   18   18                                                 
CONECT   25   12   12                                                 
CONECT   26   10   27   59   60                                       
CONECT   27   26   28   61                                            
CONECT   28   27   29   30   62                                       
CONECT   29   28   63   64                                            
CONECT   30   28   65   66                                            
CONECT   31    2                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   26                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
