COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.620  -0.182  -1.137  1.00  0.00           C  
HETATM    2  C   UNL     1       1.219   2.253  -1.714  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.235   1.997  -1.267  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.728   0.618  -1.562  1.00  0.00           C  
HETATM    5  O   UNL     1      -0.996   2.004   1.028  1.00  0.00           O  
HETATM    6  C   UNL     1      -0.243   2.413   0.176  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.936   0.347  -0.702  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.193   0.720  -1.141  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.306   0.472  -0.353  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.542   0.839  -0.785  1.00  0.00           O  
HETATM   11  C   UNL     1      -5.620   1.476  -2.062  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.158  -0.153   0.880  1.00  0.00           C  
HETATM   13  O   UNL     1      -5.248  -0.399   1.656  1.00  0.00           O  
HETATM   14  C   UNL     1      -5.910  -1.652   1.467  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.893  -0.527   1.317  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.742  -1.139   2.522  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.413  -1.495   2.908  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.785  -0.280   0.521  1.00  0.00           C  
HETATM   19  O   UNL     1       0.739   3.321   0.357  1.00  0.00           O  
HETATM   20  C   UNL     1       1.455   3.569  -0.895  1.00  0.00           C  
HETATM   21  C   UNL     1       2.151   1.220  -1.085  1.00  0.00           C  
HETATM   22  S   UNL     1       2.428   1.670   0.646  1.00  0.00           S  
HETATM   23  C   UNL     1       4.017   0.951   0.898  1.00  0.00           C  
HETATM   24  N   UNL     1       4.696   0.876   2.080  1.00  0.00           N  
HETATM   25  C   UNL     1       5.872   0.240   1.792  1.00  0.00           C  
HETATM   26  N   UNL     1       5.865  -0.031   0.517  1.00  0.00           N  
HETATM   27  N   UNL     1       4.770   0.382  -0.015  1.00  0.00           N  
HETATM   28  C   UNL     1       2.557  -1.209  -0.979  1.00  0.00           C  
HETATM   29  C   UNL     1       2.099  -2.515  -0.983  1.00  0.00           C  
HETATM   30  O   UNL     1       2.773  -3.680  -0.849  1.00  0.00           O  
HETATM   31  C   UNL     1       1.773  -4.669  -0.529  1.00  0.00           C  
HETATM   32  O   UNL     1       0.560  -4.139  -1.103  1.00  0.00           O  
HETATM   33  C   UNL     1       0.734  -2.799  -1.143  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.186  -1.778  -1.311  1.00  0.00           C  
HETATM   35  C   UNL     1       0.287  -0.463  -1.316  1.00  0.00           C  
HETATM   36  H   UNL     1       1.340   2.365  -2.791  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.873   2.702  -1.801  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.032   0.574  -2.608  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.307   1.206  -2.098  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.659   1.716  -2.286  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.030   2.393  -2.047  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.228   0.806  -2.827  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.260  -1.726   0.438  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.214  -2.465   1.674  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.760  -1.719   2.146  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.434  -1.975   3.886  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.994  -2.185   2.174  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.796  -0.598   2.956  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.802  -0.574   0.858  1.00  0.00           H  
HETATM   50  H   UNL     1       2.519   3.718  -0.707  1.00  0.00           H  
HETATM   51  H   UNL     1       1.032   4.427  -1.417  1.00  0.00           H  
HETATM   52  H   UNL     1       3.107   1.251  -1.607  1.00  0.00           H  
HETATM   53  H   UNL     1       4.405   1.204   2.945  1.00  0.00           H  
HETATM   54  H   UNL     1       6.662   0.007   2.491  1.00  0.00           H  
HETATM   55  H   UNL     1       3.607  -0.989  -0.857  1.00  0.00           H  
HETATM   56  H   UNL     1       2.023  -5.627  -0.985  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.237  -1.992  -1.435  1.00  0.00           H  
HETATM   58  H   UNL     1       1.671  -4.774   0.551  1.00  0.00           H  
CONECT    1   28   21   35   35                                       
CONECT    2   21   20    3   36                                       
CONECT    3    2    4    6   37                                       
CONECT    4   35    3    7   38                                       
CONECT    5    6    6                                                 
CONECT    6    3   19    5    5                                       
CONECT    7    4    8    8   18                                       
CONECT    8    7    7    9   39                                       
CONECT    9    8   10   12   12                                       
CONECT   10   11    9                                                 
CONECT   11   10   40   41   42                                       
CONECT   12    9    9   15   13                                       
CONECT   13   12   14                                                 
CONECT   14   13   43   44   45                                       
CONECT   15   18   18   12   16                                       
CONECT   16   15   17                                                 
CONECT   17   16   46   47   48                                       
CONECT   18    7   15   15   49                                       
CONECT   19   20    6                                                 
CONECT   20    2   19   50   51                                       
CONECT   21   22    1    2   52                                       
CONECT   22   23   21                                                 
CONECT   23   27   27   24   22                                       
CONECT   24   25   23   53                                            
CONECT   25   26   26   24   54                                       
CONECT   26   25   25   27                                            
CONECT   27   26   23   23                                            
CONECT   28   29   29    1   55                                       
CONECT   29   30   28   28   33                                       
CONECT   30   31   29                                                 
CONECT   31   30   32   56   58                                       
CONECT   32   31   33                                                 
CONECT   33   29   32   34   34                                       
CONECT   34   33   33   35   57                                       
CONECT   35    1    1   34    4                                       
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    8                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   28                                                      
CONECT   56   31                                                      
CONECT   57   34                                                      
CONECT   58   31                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
