COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.754   5.345   0.828  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.465   4.394   0.034  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.090   3.092   0.145  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.059   2.739   1.002  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.675   1.419   1.117  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.324   0.436   0.373  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.362   0.789  -0.488  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.746   2.113  -0.598  1.00  0.00           C  
HETATM    9  O   UNL     1      -5.761   2.460  -1.434  1.00  0.00           O  
HETATM   10  C   UNL     1      -6.390   1.405  -2.164  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.912  -0.984   0.496  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.770  -1.901   1.012  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.420  -3.209   1.138  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.391  -4.150   1.703  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.216  -3.668   0.762  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.949  -4.850   0.893  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.216  -2.748   0.189  1.00  0.00           C  
HETATM   18  C   UNL     1       0.079  -3.006  -0.264  1.00  0.00           C  
HETATM   19  C   UNL     1       0.750  -1.945  -0.737  1.00  0.00           C  
HETATM   20  S   UNL     1      -0.241  -0.499  -0.640  1.00  0.00           S  
HETATM   21  C   UNL     1      -1.577  -1.404   0.056  1.00  0.00           C  
HETATM   22  C   UNL     1       2.119  -1.987  -1.261  1.00  0.00           C  
HETATM   23  O   UNL     1       2.507  -2.966  -1.870  1.00  0.00           O  
HETATM   24  N   UNL     1       2.947  -0.941  -1.069  1.00  0.00           N  
HETATM   25  C   UNL     1       2.539   0.189  -0.221  1.00  0.00           C  
HETATM   26  C   UNL     1       3.599   0.391   0.869  1.00  0.00           C  
HETATM   27  N   UNL     1       4.924   0.422   0.236  1.00  0.00           N  
HETATM   28  C   UNL     1       5.332  -0.708  -0.611  1.00  0.00           C  
HETATM   29  C   UNL     1       4.275  -0.912  -1.697  1.00  0.00           C  
HETATM   30  S   UNL     1       5.942   1.707   0.473  1.00  0.00           S  
HETATM   31  C   UNL     1       6.908   1.256   1.940  1.00  0.00           C  
HETATM   32  O   UNL     1       6.767   1.718  -0.684  1.00  0.00           O  
HETATM   33  O   UNL     1       5.072   2.793   0.763  1.00  0.00           O  
HETATM   34  H   UNL     1      -4.152   6.343   0.645  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.870   5.095   1.883  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.697   5.321   0.563  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.554   3.500   1.579  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.870   1.147   1.785  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.867   0.029  -1.067  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.818   0.685  -1.467  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.180   1.818  -2.791  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.650   0.908  -2.792  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.752  -1.584   1.330  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.997  -4.571   0.901  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.862  -4.951   2.218  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.035  -3.626   2.409  1.00  0.00           H  
HETATM   47  H   UNL     1       0.512  -3.995  -0.235  1.00  0.00           H  
HETATM   48  H   UNL     1       2.462   1.092  -0.828  1.00  0.00           H  
HETATM   49  H   UNL     1       1.576  -0.028   0.240  1.00  0.00           H  
HETATM   50  H   UNL     1       4.457  -1.857  -2.210  1.00  0.00           H  
HETATM   51  H   UNL     1       4.324  -0.090  -2.411  1.00  0.00           H  
HETATM   52  H   UNL     1       3.417   1.334   1.385  1.00  0.00           H  
HETATM   53  H   UNL     1       3.552  -0.433   1.581  1.00  0.00           H  
HETATM   54  H   UNL     1       6.295  -0.491  -1.072  1.00  0.00           H  
HETATM   55  H   UNL     1       5.409  -1.611  -0.004  1.00  0.00           H  
HETATM   56  H   UNL     1       7.456   0.334   1.745  1.00  0.00           H  
HETATM   57  H   UNL     1       7.612   2.055   2.171  1.00  0.00           H  
HETATM   58  H   UNL     1       6.236   1.107   2.786  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    8    8                                       
CONECT    4    3    5    5   37                                       
CONECT    5    4    4    6   38                                       
CONECT    6    5    7    7   11                                       
CONECT    7    6    6    8   39                                       
CONECT    8    3    3    7    9                                       
CONECT    9    8   10                                                 
CONECT   10    9   40   41   42                                       
CONECT   11    6   12   12   21                                       
CONECT   12   11   11   13   43                                       
CONECT   13   12   14   15                                            
CONECT   14   13   44   45   46                                       
CONECT   15   13   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   21   21                                       
CONECT   18   17   19   19   47                                       
CONECT   19   18   18   20   22                                       
CONECT   20   19   21                                                 
CONECT   21   11   17   17   20                                       
CONECT   22   19   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   29                                            
CONECT   25   24   26   48   49                                       
CONECT   26   25   27   52   53                                       
CONECT   27   26   28   30                                            
CONECT   28   27   29   54   55                                       
CONECT   29   24   28   50   51                                       
CONECT   30   27   31   32   32                                       
CONECT   30   33   33                                                 
CONECT   31   30   56   57   58                                       
CONECT   32   30   30                                                 
CONECT   33   30   30                                                 
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    7                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   12                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   18                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   31                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
