COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -2.670   2.041  -0.076  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.471  -0.379   0.493  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.774   0.620  -0.629  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.223   2.331   0.352  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.022   3.055  -1.179  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.431  -0.125   1.659  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.740   3.516  -0.512  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.046   4.234  -0.935  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.028  -0.195   0.967  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.283   1.325   2.127  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.658  -1.784  -0.020  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.078  -0.334  -0.225  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.178  -2.850   0.718  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.355  -4.138   0.238  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.467  -3.194  -1.653  1.00  0.00           C  
HETATM   16  C   UNL     1       2.236  -0.155  -0.915  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.013  -4.307  -0.971  1.00  0.00           C  
HETATM   18  C   UNL     1       3.629   0.161  -0.437  1.00  0.00           C  
HETATM   19  C   UNL     1       4.498  -0.731   0.048  1.00  0.00           C  
HETATM   20  C   UNL     1       5.724  -0.204   0.426  1.00  0.00           C  
HETATM   21  C   UNL     1       5.848   1.112   0.248  1.00  0.00           C  
HETATM   22  C   UNL     1       5.220  -2.904   0.698  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.284  -1.983  -1.163  1.00  0.00           N  
HETATM   24  N   UNL     1       1.294  -0.032   0.206  1.00  0.00           N  
HETATM   25  O   UNL     1      -3.549   2.207   1.033  1.00  0.00           O  
HETATM   26  O   UNL     1       4.202  -2.056   0.163  1.00  0.00           O  
HETATM   27  S   UNL     1       4.364   1.759  -0.439  1.00  0.00           S  
HETATM   28  H   UNL     1      -3.782   0.449  -1.007  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.054   0.490  -1.437  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.192   2.600   1.407  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.598   1.457   0.171  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.856   2.620  -2.165  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.056   3.386  -1.078  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.456  -0.299   1.332  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.191  -0.799   2.481  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.111   4.184   0.076  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.200   3.155  -1.387  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.893   4.805  -1.851  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.410   4.877  -0.134  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.914   0.794   1.409  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.791  -0.955   1.711  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.991   1.522   2.932  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.267   1.490   2.487  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.123  -1.353  -0.608  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.375   0.363  -1.008  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.669  -2.681   1.656  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.990  -4.990   0.792  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.984  -3.317  -2.593  1.00  0.00           H  
HETATM   49  H   UNL     1       1.955   0.543  -1.704  1.00  0.00           H  
HETATM   50  H   UNL     1       2.207  -1.173  -1.304  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.169  -5.297  -1.375  1.00  0.00           H  
HETATM   52  H   UNL     1       6.517  -0.813   0.834  1.00  0.00           H  
HETATM   53  H   UNL     1       6.728   1.692   0.484  1.00  0.00           H  
HETATM   54  H   UNL     1       4.856  -3.931   0.735  1.00  0.00           H  
HETATM   55  H   UNL     1       6.104  -2.855   0.062  1.00  0.00           H  
HETATM   56  H   UNL     1       5.477  -2.573   1.704  1.00  0.00           H  
HETATM   57  H   UNL     1       1.348   0.884   0.625  1.00  0.00           H  
CONECT    1    5   25    4    3                                       
CONECT    2    6    3   11    9                                       
CONECT    3    1    2   28   29                                       
CONECT    4    7    1   30   31                                       
CONECT    5    8    1   32   33                                       
CONECT    6   10    2   34   35                                       
CONECT    7    8    4   36   37                                       
CONECT    8    7    5   38   39                                       
CONECT    9    2   12   40   41                                       
CONECT   10   25    6   42   43                                       
CONECT   11   13    2   23   23                                       
CONECT   12    9   24   44   45                                       
CONECT   13   14   14   11   46                                       
CONECT   14   13   13   17   47                                       
CONECT   15   17   17   23   48                                       
CONECT   16   24   18   49   50                                       
CONECT   17   14   15   15   51                                       
CONECT   18   16   19   19   27                                       
CONECT   19   26   18   18   20                                       
CONECT   20   19   21   21   52                                       
CONECT   21   20   20   27   53                                       
CONECT   22   26   54   55   56                                       
CONECT   23   11   11   15                                            
CONECT   24   12   16   57                                            
CONECT   25   10    1                                                 
CONECT   26   22   19                                                 
CONECT   27   18   21                                                 
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   24                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
