COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.707   0.387  -2.009  1.00  0.00           N  
HETATM    2  N   UNL     1      -4.196  -0.488  -0.153  1.00  0.00           N  
HETATM    3  C   UNL     1       2.135  -0.742  -1.636  1.00  0.00           C  
HETATM    4  C   UNL     1       3.370   1.146  -1.153  1.00  0.00           C  
HETATM    5  C   UNL     1       3.785   2.625  -2.966  1.00  0.00           C  
HETATM    6  C   UNL     1       2.406  -3.535   0.489  1.00  0.00           C  
HETATM    7  C   UNL     1       1.778  -4.786  -0.141  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.747  -3.920   0.171  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.599  -1.393  -0.034  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.856  -0.347  -0.150  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.278   1.298   1.125  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.324   1.512  -0.914  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.409   0.287  -0.857  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.361   0.760  -0.240  1.00  0.00           O  
HETATM   15  C   UNL     1      -5.056   0.693  -0.265  1.00  0.00           C  
HETATM   16  N   UNL     1      -7.505   2.054   0.440  1.00  0.00           N  
HETATM   17  C   UNL     1      -8.487   3.147   0.443  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.225   2.494   1.010  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.989  -1.536  -0.038  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.555  -2.809   0.065  1.00  0.00           C  
HETATM   21  C   UNL     1       0.206  -2.512   0.071  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.364  -3.781   0.176  1.00  0.00           C  
HETATM   23  O   UNL     1       0.418  -4.885   0.290  1.00  0.00           O  
HETATM   24  N   UNL     1       1.603  -2.374   0.068  1.00  0.00           N  
HETATM   25  C   UNL     1       2.212  -1.175  -0.320  1.00  0.00           C  
HETATM   26  C   UNL     1       2.904  -0.401   0.609  1.00  0.00           C  
HETATM   27  O   UNL     1       3.942   2.300  -1.584  1.00  0.00           O  
HETATM   28  C   UNL     1       3.489   0.777   0.180  1.00  0.00           C  
HETATM   29  S   UNL     1       4.375   1.797   1.311  1.00  0.00           S  
HETATM   30  O   UNL     1       3.893   3.120   1.121  1.00  0.00           O  
HETATM   31  O   UNL     1       4.339   1.130   2.566  1.00  0.00           O  
HETATM   32  N   UNL     1       5.959   1.802   0.830  1.00  0.00           N  
HETATM   33  C   UNL     1       6.332   2.396  -0.457  1.00  0.00           C  
HETATM   34  H   UNL     1      -4.591  -1.370  -0.082  1.00  0.00           H  
HETATM   35  H   UNL     1       1.600  -1.336  -2.364  1.00  0.00           H  
HETATM   36  H   UNL     1       2.724   2.720  -3.199  1.00  0.00           H  
HETATM   37  H   UNL     1       4.288   3.569  -3.177  1.00  0.00           H  
HETATM   38  H   UNL     1       4.222   1.836  -3.578  1.00  0.00           H  
HETATM   39  H   UNL     1       2.392  -3.620   1.575  1.00  0.00           H  
HETATM   40  H   UNL     1       3.433  -3.421   0.140  1.00  0.00           H  
HETATM   41  H   UNL     1       1.812  -4.705  -1.227  1.00  0.00           H  
HETATM   42  H   UNL     1       2.329  -5.671   0.177  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.189  -4.902   0.250  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.155  -0.412  -0.115  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.716   0.548   1.782  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.323   1.628   1.534  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.873   2.272  -1.552  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.292   1.223  -1.322  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.865  -0.479  -0.230  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.262  -0.106  -1.863  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.582   1.431  -0.912  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.446   2.773   0.084  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.601   3.530   1.457  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.142   3.947  -0.211  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.395   2.918   2.000  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.780   3.250   0.363  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.629  -2.923   0.062  1.00  0.00           H  
HETATM   58  H   UNL     1       2.980  -0.712   1.641  1.00  0.00           H  
HETATM   59  H   UNL     1       6.641   1.412   1.399  1.00  0.00           H  
HETATM   60  H   UNL     1       7.409   2.306  -0.600  1.00  0.00           H  
HETATM   61  H   UNL     1       5.814   1.874  -1.261  1.00  0.00           H  
HETATM   62  H   UNL     1       6.050   3.449  -0.466  1.00  0.00           H  
CONECT    1    4    3    3                                            
CONECT    2   15   10   34                                            
CONECT    3    1    1   25   35                                       
CONECT    4   27   28   28    1                                       
CONECT    5   27   36   37   38                                       
CONECT    6   24    7   39   40                                       
CONECT    7    6   23   41   42                                       
CONECT    8   20   20   22   43                                       
CONECT    9   19   19   21   44                                       
CONECT   10   14   14    2   19                                       
CONECT   11   15   18   45   46                                       
CONECT   12   13   16   47   48                                       
CONECT   13   12   15   49   50                                       
CONECT   14   10   10                                                 
CONECT   15   13    2   11   51                                       
CONECT   16   12   17   18                                            
CONECT   17   16   52   53   54                                       
CONECT   18   16   11   55   56                                       
CONECT   19   10    9    9   20                                       
CONECT   20   19    8    8   57                                       
CONECT   21    9   24   22   22                                       
CONECT   22   21   21    8   23                                       
CONECT   23   22    7                                                 
CONECT   24   25   21    6                                            
CONECT   25   26   26    3   24                                       
CONECT   26   28   25   25   58                                       
CONECT   27    5    4                                                 
CONECT   28   29    4    4   26                                       
CONECT   29   31   31   30   30                                       
CONECT   29   32   28                                                 
CONECT   30   29   29                                                 
CONECT   31   29   29                                                 
CONECT   32   29   33   59                                            
CONECT   33   32   60   61   62                                       
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   15                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   20                                                      
CONECT   58   26                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
CONECT   61   33                                                      
CONECT   62   33                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
