COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.602   0.192   2.148  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.746   0.560   0.629  1.00  0.00           N  
HETATM    3  O   UNL     1      -5.756  -0.140   2.944  1.00  0.00           O  
HETATM    4  N   UNL     1       4.905  -2.815   0.156  1.00  0.00           N  
HETATM    5  C   UNL     1       6.258  -2.970   0.119  1.00  0.00           C  
HETATM    6  N   UNL     1       7.064  -1.943  -0.002  1.00  0.00           N  
HETATM    7  C   UNL     1       6.593  -0.681  -0.095  1.00  0.00           C  
HETATM    8  C   UNL     1       5.226  -0.460  -0.064  1.00  0.00           C  
HETATM    9  C   UNL     1       4.363  -1.585   0.068  1.00  0.00           C  
HETATM   10  O   UNL     1       3.153  -1.438   0.095  1.00  0.00           O  
HETATM   11  C   UNL     1      -6.204   0.624   0.761  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.850  -0.306  -0.268  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.185  -0.711  -2.692  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.548   0.205  -1.678  1.00  0.00           C  
HETATM   15  N   UNL     1       6.790  -4.231   0.209  1.00  0.00           N  
HETATM   16  O   UNL     1      -4.429  -1.649   1.043  1.00  0.00           O  
HETATM   17  C   UNL     1       4.553   3.719  -0.406  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.187  -0.445   0.383  1.00  0.00           C  
HETATM   19  C   UNL     1       3.438   2.902  -0.292  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.417  -1.015   0.619  1.00  0.00           C  
HETATM   21  C   UNL     1       5.814   3.170  -0.405  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.234   1.706   0.066  1.00  0.00           C  
HETATM   23  C   UNL     1       2.368   0.663  -0.056  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.866   1.692   0.319  1.00  0.00           C  
HETATM   25  N   UNL     1       1.161   1.491  -0.106  1.00  0.00           N  
HETATM   26  S   UNL     1       7.462   0.836  -0.261  1.00  0.00           S  
HETATM   27  C   UNL     1      -3.995  -0.545   0.778  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.086   0.917   0.114  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.462   1.140   0.296  1.00  0.00           C  
HETATM   30  C   UNL     1       3.586   1.541  -0.178  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.572  -0.228   0.573  1.00  0.00           C  
HETATM   32  C   UNL     1       5.984   1.785  -0.289  1.00  0.00           C  
HETATM   33  C   UNL     1       4.871   0.963  -0.175  1.00  0.00           C  
HETATM   34  O   UNL     1      -7.815  -1.674  -2.324  1.00  0.00           O  
HETATM   35  O   UNL     1      -7.051  -0.457  -4.003  1.00  0.00           O  
HETATM   36  O   UNL     1      -7.898   0.171   2.499  1.00  0.00           O  
HETATM   37  H   UNL     1       4.331  -3.592   0.241  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.540   1.646   0.588  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.447  -1.312  -0.152  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.929  -0.327  -0.112  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.951   1.211  -1.794  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.470   0.225  -1.834  1.00  0.00           H  
HETATM   43  H   UNL     1       6.205  -4.999   0.299  1.00  0.00           H  
HETATM   44  H   UNL     1       7.752  -4.354   0.184  1.00  0.00           H  
HETATM   45  H   UNL     1       4.430   4.788  -0.495  1.00  0.00           H  
HETATM   46  H   UNL     1       0.704  -1.054   0.418  1.00  0.00           H  
HETATM   47  H   UNL     1       2.450   3.338  -0.293  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.491  -2.070   0.839  1.00  0.00           H  
HETATM   49  H   UNL     1       6.679   3.811  -0.494  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.156   2.763  -0.142  1.00  0.00           H  
HETATM   51  H   UNL     1       2.401   0.126   0.892  1.00  0.00           H  
HETATM   52  H   UNL     1       2.352  -0.053  -0.878  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.121   2.109  -0.655  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.954   2.457   1.090  1.00  0.00           H  
HETATM   55  H   UNL     1       1.232   2.440  -0.293  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.477  -1.073  -4.615  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.105  -0.117   3.398  1.00  0.00           H  
CONECT    1   11    3    3   36                                       
CONECT    2   11   24   27                                            
CONECT    3    1    1                                                 
CONECT    4    5    9   37                                            
CONECT    5    4   15    6    6                                       
CONECT    6    5    5    7                                            
CONECT    7    6    8    8   26                                       
CONECT    8    7    7    9   33                                       
CONECT    9    4    8   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    1    2   12   38                                       
CONECT   12   11   14   39   40                                       
CONECT   13   14   34   34   35                                       
CONECT   14   12   13   41   42                                       
CONECT   15    5   43   44                                            
CONECT   16   27   27                                                 
CONECT   17   19   19   21   45                                       
CONECT   18   28   28   20   46                                       
CONECT   19   17   17   30   47                                       
CONECT   20   18   31   31   48                                       
CONECT   21   17   32   32   49                                       
CONECT   22   29   29   28   50                                       
CONECT   23   30   25   51   52                                       
CONECT   24    2   29   53   54                                       
CONECT   25   23   28   55                                            
CONECT   26    7   32                                                 
CONECT   27    2   16   16   31                                       
CONECT   28   18   18   22   25                                       
CONECT   29   22   22   24   31                                       
CONECT   30   19   23   33   33                                       
CONECT   31   20   20   27   29                                       
CONECT   32   21   21   26   33                                       
CONECT   33    8   30   30   32                                       
CONECT   34   13   13                                                 
CONECT   35   13   56                                                 
CONECT   36    1   57                                                 
CONECT   37    4                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   35                                                      
CONECT   57   36                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
