COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.578  -0.036  -0.072  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.461   0.811  -1.013  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.922   2.731   0.497  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.405   1.866   1.447  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.399   2.263  -0.664  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.664   0.518   1.287  1.00  0.00           N  
HETATM    7  N   UNL     1      -2.742  -1.071  -0.176  1.00  0.00           N  
HETATM    8  C   UNL     1       0.845  -0.132  -0.556  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.309  -1.401  -0.082  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.758  -1.862   0.223  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.880   0.264  -0.776  1.00  0.00           C  
HETATM   12  C   UNL     1       1.912  -0.268   0.228  1.00  0.00           C  
HETATM   13  C   UNL     1       3.130  -0.336  -0.445  1.00  0.00           C  
HETATM   14  S   UNL     1       1.343  -0.088  -2.242  1.00  0.00           S  
HETATM   15  C   UNL     1       3.033  -0.252  -1.784  1.00  0.00           C  
HETATM   16  C   UNL     1       6.828  -0.690   0.198  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.149  -1.362   0.170  1.00  0.00           C  
HETATM   18  C   UNL     1       4.428  -0.486   0.258  1.00  0.00           C  
HETATM   19  N   UNL     1       9.021  -0.806  -1.133  1.00  0.00           N  
HETATM   20  C   UNL     1       8.051  -0.754  -0.544  1.00  0.00           C  
HETATM   21  N   UNL     1       0.297   2.306   2.451  1.00  0.00           N  
HETATM   22  C   UNL     1       5.612  -0.548  -0.470  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.804   3.064  -1.480  1.00  0.00           O  
HETATM   24  C   UNL     1       6.849  -0.774   1.592  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.531  -2.986   0.626  1.00  0.00           O  
HETATM   26  C   UNL     1      -6.033  -1.637   1.214  1.00  0.00           C  
HETATM   27  C   UNL     1       4.463  -0.577   1.650  1.00  0.00           C  
HETATM   28  C   UNL     1       5.669  -0.717   2.307  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.950   4.171   0.765  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.329  -1.168   1.159  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.581  -0.609  -0.923  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.880  -0.145  -0.966  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.753  -0.426   0.070  1.00  0.00           C  
HETATM   34  H   UNL     1      -1.165   0.653  -2.050  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.999  -1.990  -0.945  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.107  -1.946   0.841  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.422   0.921  -0.096  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.412   0.190  -1.724  1.00  0.00           H  
HETATM   39  H   UNL     1       1.838  -0.322   1.304  1.00  0.00           H  
HETATM   40  H   UNL     1       3.864  -0.286  -2.473  1.00  0.00           H  
HETATM   41  H   UNL     1       0.468   3.257   2.544  1.00  0.00           H  
HETATM   42  H   UNL     1       5.589  -0.486  -1.548  1.00  0.00           H  
HETATM   43  H   UNL     1       7.790  -0.884   2.111  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.703  -2.217   2.064  1.00  0.00           H  
HETATM   45  H   UNL     1       3.543  -0.538   2.215  1.00  0.00           H  
HETATM   46  H   UNL     1       5.690  -0.788   3.384  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.525   4.366   1.750  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.364   4.693   0.007  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.980   4.527   0.736  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.014  -1.380   1.966  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.901  -0.389  -1.732  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.216   0.438  -1.810  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.769  -0.061   0.031  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.894  -0.043   2.045  1.00  0.00           H  
CONECT    1    8    9    2    6                                       
CONECT    2    1   11    5   34                                       
CONECT    3    5    4   29                                            
CONECT    4    6    3   21   21                                       
CONECT    5    2   23   23    3                                       
CONECT    6    1    4   54                                            
CONECT    7    9   10   11                                            
CONECT    8   14   12   12    1                                       
CONECT    9    1    7   35   36                                       
CONECT   10   25   25    7   17                                       
CONECT   11    7    2   37   38                                       
CONECT   12   13    8    8   39                                       
CONECT   13   15   15   18   12                                       
CONECT   14   15    8                                                 
CONECT   15   14   13   13   40                                       
CONECT   16   24   24   22   20                                       
CONECT   17   10   31   31   26                                       
CONECT   18   27   13   22   22                                       
CONECT   19   20   20   20                                            
CONECT   20   16   19   19   19                                       
CONECT   21    4    4   41                                            
CONECT   22   18   18   16   42                                       
CONECT   23    5    5                                                 
CONECT   24   28   16   16   43                                       
CONECT   25   10   10                                                 
CONECT   26   17   30   30   44                                       
CONECT   27   28   28   18   45                                       
CONECT   28   27   27   24   46                                       
CONECT   29    3   47   48   49                                       
CONECT   30   26   26   33   50                                       
CONECT   31   17   17   32   51                                       
CONECT   32   31   33   33   52                                       
CONECT   33   32   32   30   53                                       
CONECT   34    2                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   15                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   24                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
CONECT   50   30                                                      
CONECT   51   31                                                      
CONECT   52   32                                                      
CONECT   53   33                                                      
CONECT   54    6                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
