COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -6.475  -0.418   0.795  1.00  0.00           S  
HETATM    2  C   UNL     1       0.419   1.486  -0.033  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.361   0.326  -0.482  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.808   0.466  -0.742  1.00  0.00           C  
HETATM    5  C   UNL     1       1.880   1.549   0.156  1.00  0.00           C  
HETATM    6  N   UNL     1      -5.009   0.294   1.088  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.062   2.723   0.288  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.085   0.446   0.047  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.726   0.313   0.301  1.00  0.00           C  
HETATM   10  C   UNL     1       2.160   2.858   0.587  1.00  0.00           C  
HETATM   11  N   UNL     1       0.961   3.532   0.653  1.00  0.00           N  
HETATM   12  C   UNL     1       7.438  -1.533  -0.138  1.00  0.00           C  
HETATM   13  C   UNL     1       2.918   0.637  -0.001  1.00  0.00           C  
HETATM   14  N   UNL     1       3.412   3.218   0.841  1.00  0.00           N  
HETATM   15  N   UNL     1       6.225  -1.971  -0.412  1.00  0.00           N  
HETATM   16  N   UNL     1       7.662  -0.298   0.264  1.00  0.00           N  
HETATM   17  C   UNL     1       8.604  -2.477  -0.283  1.00  0.00           C  
HETATM   18  C   UNL     1       4.215   1.067   0.280  1.00  0.00           C  
HETATM   19  N   UNL     1      -6.186  -2.012   0.453  1.00  0.00           N  
HETATM   20  C   UNL     1       9.442  -2.761   0.965  1.00  0.00           C  
HETATM   21  C   UNL     1      10.010  -1.887  -0.154  1.00  0.00           C  
HETATM   22  C   UNL     1       5.364   0.140   0.131  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.266   0.758  -2.032  1.00  0.00           C  
HETATM   24  O   UNL     1      -7.185  -0.394   2.026  1.00  0.00           O  
HETATM   25  O   UNL     1      -6.973   0.166  -0.400  1.00  0.00           O  
HETATM   26  O   UNL     1       0.184  -0.750  -0.640  1.00  0.00           O  
HETATM   27  C   UNL     1       6.667   0.560   0.410  1.00  0.00           C  
HETATM   28  C   UNL     1       5.173  -1.178  -0.292  1.00  0.00           C  
HETATM   29  C   UNL     1       4.417   2.382   0.703  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.527   0.731  -1.238  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.620   0.888  -2.270  1.00  0.00           C  
HETATM   32  F   UNL     1      -2.294   0.036   1.551  1.00  0.00           F  
HETATM   33  F   UNL     1      -1.383   0.913  -3.043  1.00  0.00           F  
HETATM   34  C   UNL     1      -5.951  -2.433  -0.931  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.166  -3.002   1.533  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.446  -2.480  -1.200  1.00  0.00           C  
HETATM   37  H   UNL     1      -4.791   0.606   1.980  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.102   3.012   0.255  1.00  0.00           H  
HETATM   39  H   UNL     1       0.863   4.458   0.923  1.00  0.00           H  
HETATM   40  H   UNL     1       2.727  -0.374  -0.331  1.00  0.00           H  
HETATM   41  H   UNL     1       8.463  -3.293  -0.991  1.00  0.00           H  
HETATM   42  H   UNL     1       9.150  -2.266   1.891  1.00  0.00           H  
HETATM   43  H   UNL     1       9.852  -3.765   1.078  1.00  0.00           H  
HETATM   44  H   UNL     1      10.794  -2.315  -0.779  1.00  0.00           H  
HETATM   45  H   UNL     1      10.091  -0.816   0.035  1.00  0.00           H  
HETATM   46  H   UNL     1       6.858   1.571   0.740  1.00  0.00           H  
HETATM   47  H   UNL     1       4.183  -1.543  -0.519  1.00  0.00           H  
HETATM   48  H   UNL     1       5.419   2.719   0.922  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.585   0.835  -1.431  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.972   1.113  -3.266  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.379  -3.423  -1.087  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.420  -1.722  -1.611  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.169  -3.403   1.677  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.485  -3.811   1.271  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.829  -2.527   2.454  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.017  -1.490  -1.044  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.977  -3.191  -0.520  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.271  -2.793  -2.230  1.00  0.00           H  
CONECT    1   25   25    6   24                                       
CONECT    1   24   19                                                 
CONECT    2    3    5    7    7                                       
CONECT    3   26   26    4    2                                       
CONECT    4   23    3    9    9                                       
CONECT    5   13    2   10   10                                       
CONECT    6    8    1   37                                            
CONECT    7    2    2   11   38                                       
CONECT    8   30   30    9    6                                       
CONECT    9    4    4    8   32                                       
CONECT   10    5    5   14   11                                       
CONECT   11    7   10   39                                            
CONECT   12   17   16   16   15                                       
CONECT   13   18   18    5   40                                       
CONECT   14   29   29   10                                            
CONECT   15   12   28   28                                            
CONECT   16   12   12   27                                            
CONECT   17   21   20   12   41                                       
CONECT   18   22   13   13   29                                       
CONECT   19    1   35   34                                            
CONECT   20   21   17   42   43                                       
CONECT   21   17   20   44   45                                       
CONECT   22   27   27   28   18                                       
CONECT   23   33   31   31    4                                       
CONECT   24    1    1                                                 
CONECT   25    1    1                                                 
CONECT   26    3    3                                                 
CONECT   27   16   22   22   46                                       
CONECT   28   15   15   22   47                                       
CONECT   29   18   14   14   48                                       
CONECT   30   31    8    8   49                                       
CONECT   31   23   23   30   50                                       
CONECT   32    9                                                      
CONECT   33   23                                                      
CONECT   34   19   36   51   52                                       
CONECT   35   19   53   54   55                                       
CONECT   36   34   56   57   58                                       
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   17                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
CONECT   50   31                                                      
CONECT   51   34                                                      
CONECT   52   34                                                      
CONECT   53   35                                                      
CONECT   54   35                                                      
CONECT   55   35                                                      
CONECT   56   36                                                      
CONECT   57   36                                                      
CONECT   58   36                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
