COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.361   3.361  -0.979  1.00  0.00           O  
HETATM    2  S   UNL     1       1.960   2.730   0.230  1.00  0.00           S  
HETATM    3  O   UNL     1       2.184   3.296   1.514  1.00  0.00           O  
HETATM    4  C   UNL     1       0.223   2.465   0.099  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.542   2.330   1.244  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.903   2.122   1.148  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.507   2.049  -0.106  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.969   1.821  -0.216  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.742   1.684   0.936  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.101   1.472   0.830  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.698   1.395  -0.421  1.00  0.00           C  
HETATM   12  O   UNL     1      -8.036   1.180  -0.521  1.00  0.00           O  
HETATM   13  C   UNL     1      -8.766   1.050   0.700  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.930   1.530  -1.569  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.572   1.748  -1.470  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.732   2.186  -1.256  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.373   2.398  -1.148  1.00  0.00           C  
HETATM   18  N   UNL     1       2.683   1.241   0.242  1.00  0.00           N  
HETATM   19  O   UNL     1       3.178   0.704   1.456  1.00  0.00           O  
HETATM   20  C   UNL     1       4.482   1.169   1.808  1.00  0.00           C  
HETATM   21  C   UNL     1       4.412   1.926   3.136  1.00  0.00           C  
HETATM   22  C   UNL     1       5.428  -0.025   1.951  1.00  0.00           C  
HETATM   23  C   UNL     1       2.812   0.478  -1.002  1.00  0.00           C  
HETATM   24  C   UNL     1       4.264   0.406  -1.399  1.00  0.00           C  
HETATM   25  O   UNL     1       5.126   0.725  -0.608  1.00  0.00           O  
HETATM   26  N   UNL     1       4.605  -0.013  -2.634  1.00  0.00           N  
HETATM   27  O   UNL     1       5.969  -0.081  -3.007  1.00  0.00           O  
HETATM   28  C   UNL     1       2.270  -0.937  -0.792  1.00  0.00           C  
HETATM   29  C   UNL     1       0.777  -0.868  -0.465  1.00  0.00           C  
HETATM   30  N   UNL     1       0.275  -2.215  -0.185  1.00  0.00           N  
HETATM   31  C   UNL     1       0.170  -2.748   1.046  1.00  0.00           C  
HETATM   32  O   UNL     1       0.472  -2.196   2.085  1.00  0.00           O  
HETATM   33  C   UNL     1      -0.147  -3.081  -1.124  1.00  0.00           C  
HETATM   34  O   UNL     1      -0.171  -2.873  -2.320  1.00  0.00           O  
HETATM   35  C   UNL     1      -0.575  -4.329  -0.456  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.373  -4.117   0.923  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.086  -5.537  -0.900  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.393  -6.531   0.016  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.193  -6.325   1.368  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.686  -5.119   1.827  1.00  0.00           C  
HETATM   41  H   UNL     1      -0.072   2.387   2.215  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.499   2.017   2.043  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.279   1.744   1.909  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.701   1.367   1.722  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.820   0.883   0.478  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.376   0.206   1.268  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.659   1.963   1.286  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.397   1.469  -2.541  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.974   1.854  -2.364  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.195   2.130  -2.230  1.00  0.00           H  
HETATM   51  H   UNL     1       0.229   2.504  -2.039  1.00  0.00           H  
HETATM   52  H   UNL     1       4.853   1.836   1.029  1.00  0.00           H  
HETATM   53  H   UNL     1       5.410   1.995   3.568  1.00  0.00           H  
HETATM   54  H   UNL     1       4.021   2.929   2.962  1.00  0.00           H  
HETATM   55  H   UNL     1       3.754   1.394   3.823  1.00  0.00           H  
HETATM   56  H   UNL     1       5.478  -0.564   1.005  1.00  0.00           H  
HETATM   57  H   UNL     1       6.423   0.330   2.220  1.00  0.00           H  
HETATM   58  H   UNL     1       5.057  -0.691   2.730  1.00  0.00           H  
HETATM   59  H   UNL     1       2.244   0.971  -1.791  1.00  0.00           H  
HETATM   60  H   UNL     1       3.916  -0.268  -3.267  1.00  0.00           H  
HETATM   61  H   UNL     1       6.115  -0.393  -3.911  1.00  0.00           H  
HETATM   62  H   UNL     1       2.416  -1.521  -1.700  1.00  0.00           H  
HETATM   63  H   UNL     1       2.801  -1.410   0.034  1.00  0.00           H  
HETATM   64  H   UNL     1       0.625  -0.234   0.409  1.00  0.00           H  
HETATM   65  H   UNL     1       0.238  -0.449  -1.315  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.245  -5.704  -1.955  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.792  -7.474  -0.329  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.437  -7.107   2.072  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.531  -4.963   2.884  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    3    3   18                                       
CONECT    2    1    1                                                 
CONECT    3    2    2                                                 
CONECT    4   17   17    5    2                                       
CONECT    5    6    6    4   41                                       
CONECT    6    7    5    5   42                                       
CONECT    7    8   16   16    6                                       
CONECT    8   15   15    9    7                                       
CONECT    9   10   10    8   43                                       
CONECT   10   11    9    9   44                                       
CONECT   11   12   14   14   10                                       
CONECT   12   13   11                                                 
CONECT   13   12   45   46   47                                       
CONECT   14   11   11   15   48                                       
CONECT   15   14    8    8   49                                       
CONECT   16    7    7   17   50                                       
CONECT   17   16    4    4   51                                       
CONECT   18   23   19    2                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   22   52                                       
CONECT   21   20   53   54   55                                       
CONECT   22   20   56   57   58                                       
CONECT   23   24   28   18   59                                       
CONECT   24   26   25   25   23                                       
CONECT   25   24   24                                                 
CONECT   26   27   24   60                                            
CONECT   27   26   61                                                 
CONECT   28   23   29   62   63                                       
CONECT   29   30   28   64   65                                       
CONECT   30   31   33   29                                            
CONECT   31   36   32   32   30                                       
CONECT   32   31   31                                                 
CONECT   33   35   30   34   34                                       
CONECT   34   33   33                                                 
CONECT   35   36   36   37   33                                       
CONECT   36   40   35   35   31                                       
CONECT   37   38   38   35   66                                       
CONECT   38   39   37   37   67                                       
CONECT   39   40   40   38   68                                       
CONECT   40   39   39   36   69                                       
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   37                                                      
CONECT   67   38                                                      
CONECT   68   39                                                      
CONECT   69   40                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
