COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.343  -1.188  -0.972  1.00  0.00           O  
HETATM    2  S   UNL     1      -6.206  -0.539  -1.526  1.00  0.00           S  
HETATM    3  C   UNL     1      -4.822  -1.051  -0.564  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.147  -2.143  -0.722  1.00  0.00           N  
HETATM    5  N   UNL     1      -3.179  -2.358   0.057  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.927  -1.462   0.969  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.912  -1.517   1.912  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.750  -0.429   2.879  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.822   0.614   2.311  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.178   1.742   1.652  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.015   2.372   1.329  1.00  0.00           N  
HETATM   12  C   UNL     1       0.098   3.586   0.637  1.00  0.00           C  
HETATM   13  C   UNL     1       1.352   4.121   0.372  1.00  0.00           C  
HETATM   14  C   UNL     1       1.461   5.317  -0.310  1.00  0.00           C  
HETATM   15  C   UNL     1       0.323   5.982  -0.729  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.927   5.451  -0.467  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.042   4.253   0.210  1.00  0.00           C  
HETATM   18  N   UNL     1       0.962   1.659   1.770  1.00  0.00           N  
HETATM   19  N   UNL     1       0.514   0.609   2.364  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.002  -2.665   1.942  1.00  0.00           C  
HETATM   21  C   UNL     1       0.183  -2.389   1.053  1.00  0.00           C  
HETATM   22  C   UNL     1       1.381  -1.887   1.432  1.00  0.00           C  
HETATM   23  N   UNL     1       2.131  -1.810   0.308  1.00  0.00           N  
HETATM   24  C   UNL     1       3.510  -1.322   0.228  1.00  0.00           C  
HETATM   25  C   UNL     1       4.392  -2.390  -0.425  1.00  0.00           C  
HETATM   26  C   UNL     1       5.819  -1.850  -0.560  1.00  0.00           C  
HETATM   27  C   UNL     1       5.787  -0.549  -1.367  1.00  0.00           C  
HETATM   28  C   UNL     1       4.851   0.448  -0.677  1.00  0.00           C  
HETATM   29  C   UNL     1       4.766   1.729  -1.510  1.00  0.00           C  
HETATM   30  O   UNL     1       3.988   2.701  -0.810  1.00  0.00           O  
HETATM   31  O   UNL     1       3.549  -0.129  -0.556  1.00  0.00           O  
HETATM   32  O   UNL     1       7.103   0.003  -1.438  1.00  0.00           O  
HETATM   33  O   UNL     1       6.632  -2.811  -1.236  1.00  0.00           O  
HETATM   34  O   UNL     1       4.400  -3.566   0.387  1.00  0.00           O  
HETATM   35  N   UNL     1       1.425  -2.239  -0.678  1.00  0.00           N  
HETATM   36  N   UNL     1       0.260  -2.598  -0.267  1.00  0.00           N  
HETATM   37  S   UNL     1      -4.107  -0.162   0.782  1.00  0.00           S  
HETATM   38  N   UNL     1      -6.005  -1.164  -3.046  1.00  0.00           N  
HETATM   39  O   UNL     1      -6.104   0.873  -1.656  1.00  0.00           O  
HETATM   40  H   UNL     1      -2.721   0.022   3.084  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.331  -0.823   3.804  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.181   2.074   1.427  1.00  0.00           H  
HETATM   43  H   UNL     1       2.241   3.602   0.699  1.00  0.00           H  
HETATM   44  H   UNL     1       2.435   5.733  -0.517  1.00  0.00           H  
HETATM   45  H   UNL     1       0.410   6.917  -1.262  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.814   5.973  -0.795  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.019   3.839   0.415  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.659  -2.830   2.963  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.524  -3.553   1.586  1.00  0.00           H  
HETATM   50  H   UNL     1       1.679  -1.603   2.431  1.00  0.00           H  
HETATM   51  H   UNL     1       3.880  -1.110   1.232  1.00  0.00           H  
HETATM   52  H   UNL     1       3.999  -2.632  -1.413  1.00  0.00           H  
HETATM   53  H   UNL     1       6.230  -1.654   0.430  1.00  0.00           H  
HETATM   54  H   UNL     1       5.422  -0.753  -2.374  1.00  0.00           H  
HETATM   55  H   UNL     1       5.238   0.683   0.314  1.00  0.00           H  
HETATM   56  H   UNL     1       5.770   2.120  -1.678  1.00  0.00           H  
HETATM   57  H   UNL     1       4.297   1.509  -2.468  1.00  0.00           H  
HETATM   58  H   UNL     1       3.892   3.541  -1.280  1.00  0.00           H  
HETATM   59  H   UNL     1       7.751  -0.578  -1.860  1.00  0.00           H  
HETATM   60  H   UNL     1       6.697  -3.661  -0.780  1.00  0.00           H  
HETATM   61  H   UNL     1       4.940  -4.285   0.032  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.668  -0.993  -3.733  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.223  -1.702  -3.250  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3   38   39   39                                       
CONECT    2    1    1                                                 
CONECT    3   37    4    4    2                                       
CONECT    4    5    3    3                                            
CONECT    5    6    6    4                                            
CONECT    6    7    5    5   37                                       
CONECT    7    8   20    6                                            
CONECT    8    9    7   40   41                                       
CONECT    9    8   10   10   19                                       
CONECT   10    9    9   11   42                                       
CONECT   11   10   12   18                                            
CONECT   12   17   11   13   13                                       
CONECT   13   12   12   14   43                                       
CONECT   14   15   15   13   44                                       
CONECT   15   16   14   14   45                                       
CONECT   16   17   17   15   46                                       
CONECT   17   16   16   12   47                                       
CONECT   18   11   19   19                                            
CONECT   19    9   18   18                                            
CONECT   20   21    7   48   49                                       
CONECT   21   36   22   22   20                                       
CONECT   22   23   21   21   50                                       
CONECT   23   24   35   22                                            
CONECT   24   25   31   23   51                                       
CONECT   25   26   34   24   52                                       
CONECT   26   33   27   25   53                                       
CONECT   27   26   32   28   54                                       
CONECT   28   27   29   31   55                                       
CONECT   29   30   28   56   57                                       
CONECT   30   29   58                                                 
CONECT   31   28   24                                                 
CONECT   32   27   59                                                 
CONECT   33   26   60                                                 
CONECT   34   25   61                                                 
CONECT   35   23   36   36                                            
CONECT   36   35   35   21                                            
CONECT   37    6    3                                                 
CONECT   38    2   62   63                                            
CONECT   39    2    2                                                 
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42   10                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   22                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
CONECT   61   34                                                      
CONECT   62   38                                                      
CONECT   63   38                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
