COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.936   4.641  -1.111  1.00  0.00           C  
HETATM    2  O   UNL     1       3.839   4.114  -0.362  1.00  0.00           O  
HETATM    3  C   UNL     1       2.557   4.451  -0.895  1.00  0.00           C  
HETATM    4  C   UNL     1       1.463   3.838  -0.017  1.00  0.00           C  
HETATM    5  C   UNL     1       1.659   4.289   1.431  1.00  0.00           C  
HETATM    6  N   UNL     1       1.541   2.377  -0.089  1.00  0.00           N  
HETATM    7  C   UNL     1       0.409   1.606   0.164  1.00  0.00           C  
HETATM    8  N   UNL     1       0.490   0.285   0.103  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.789   2.231   0.483  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.913   1.457   0.734  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.797   0.075   0.656  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.909  -0.746   0.902  1.00  0.00           N  
HETATM   13  S   UNL     1      -4.421  -0.250   0.445  1.00  0.00           S  
HETATM   14  O   UNL     1      -5.311  -1.301   0.796  1.00  0.00           O  
HETATM   15  O   UNL     1      -4.567   1.082   0.919  1.00  0.00           O  
HETATM   16  N   UNL     1      -4.430  -0.162  -1.208  1.00  0.00           N  
HETATM   17  C   UNL     1      -4.812  -1.332  -2.002  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.056   1.087  -1.877  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.561  -0.487   0.336  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.431  -1.872   0.261  1.00  0.00           N  
HETATM   21  C   UNL     1       0.827  -2.445   0.058  1.00  0.00           C  
HETATM   22  C   UNL     1       1.941  -1.898   0.670  1.00  0.00           C  
HETATM   23  C   UNL     1       3.190  -2.473   0.465  1.00  0.00           C  
HETATM   24  N   UNL     1       4.457  -2.183   0.912  1.00  0.00           N  
HETATM   25  N   UNL     1       5.308  -3.143   0.345  1.00  0.00           N  
HETATM   26  N   UNL     1       4.619  -3.948  -0.385  1.00  0.00           N  
HETATM   27  C   UNL     1       3.316  -3.603  -0.361  1.00  0.00           C  
HETATM   28  C   UNL     1       2.174  -4.140  -0.972  1.00  0.00           C  
HETATM   29  C   UNL     1       0.955  -3.571  -0.758  1.00  0.00           C  
HETATM   30  H   UNL     1       4.872   5.728  -1.133  1.00  0.00           H  
HETATM   31  H   UNL     1       5.873   4.341  -0.642  1.00  0.00           H  
HETATM   32  H   UNL     1       4.899   4.253  -2.129  1.00  0.00           H  
HETATM   33  H   UNL     1       2.444   5.535  -0.912  1.00  0.00           H  
HETATM   34  H   UNL     1       2.470   4.060  -1.908  1.00  0.00           H  
HETATM   35  H   UNL     1       0.486   4.168  -0.371  1.00  0.00           H  
HETATM   36  H   UNL     1       0.880   3.853   2.056  1.00  0.00           H  
HETATM   37  H   UNL     1       2.636   3.960   1.786  1.00  0.00           H  
HETATM   38  H   UNL     1       1.601   5.377   1.485  1.00  0.00           H  
HETATM   39  H   UNL     1       2.381   1.946  -0.312  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.845   3.308   0.536  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.856   1.919   0.984  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.791  -1.604   1.339  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.888  -1.317  -2.177  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.288  -1.310  -2.957  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.544  -2.240  -1.462  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.983   1.091  -2.065  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.591   1.166  -2.824  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.318   1.933  -1.241  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.213  -2.438   0.349  1.00  0.00           H  
HETATM   50  H   UNL     1       1.840  -1.030   1.304  1.00  0.00           H  
HETATM   51  H   UNL     1       4.713  -1.458   1.503  1.00  0.00           H  
HETATM   52  H   UNL     1       2.260  -5.008  -1.609  1.00  0.00           H  
HETATM   53  H   UNL     1       0.078  -3.992  -1.228  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    1    3                                                 
CONECT    3    2    4   33   34                                       
CONECT    4    3    5    6   35                                       
CONECT    5    4   36   37   38                                       
CONECT    6    4    7   39                                            
CONECT    7    6    9    9    8                                       
CONECT    8    7   19   19                                            
CONECT    9    7    7   10   40                                       
CONECT   10    9   11   11   41                                       
CONECT   11   10   10   19   12                                       
CONECT   12   11   13   42                                            
CONECT   13   12   16   15   15                                       
CONECT   13   14   14                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   18   13   17                                            
CONECT   17   16   43   44   45                                       
CONECT   18   16   46   47   48                                       
CONECT   19    8    8   11   20                                       
CONECT   20   19   21   49                                            
CONECT   21   22   22   20   29                                       
CONECT   22   23   21   21   50                                       
CONECT   23   24   22   27   27                                       
CONECT   24   25   23   51                                            
CONECT   25   24   26   26                                            
CONECT   26   25   25   27                                            
CONECT   27   23   23   26   28                                       
CONECT   28   27   29   29   52                                       
CONECT   29   21   28   28   53                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   12                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   20                                                      
CONECT   50   22                                                      
CONECT   51   24                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
