COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.879  -2.384  -0.036  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.016  -3.388   0.055  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.503  -4.681   0.161  1.00  0.00           N  
HETATM    4  N   UNL     1      -0.709  -3.198   0.048  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.203  -1.964  -0.053  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.090  -0.877  -0.151  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.461  -1.127  -0.139  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.350  -0.108  -0.231  1.00  0.00           O  
HETATM    9  N   UNL     1      -0.305   0.256  -0.242  1.00  0.00           N  
HETATM   10  C   UNL     1       0.997  -0.155  -0.198  1.00  0.00           C  
HETATM   11  N   UNL     1       1.044  -1.463  -0.087  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.736  -0.454  -0.212  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.580   0.818  -0.325  1.00  0.00           C  
HETATM   14  C   UNL     1       2.174   0.737  -0.265  1.00  0.00           C  
HETATM   15  C   UNL     1       3.112   2.925  -0.583  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.059   0.441  -0.429  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.903   1.712  -0.543  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.684   2.581   0.697  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.205   2.958   0.802  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.362   1.687   0.915  1.00  0.00           C  
HETATM   21  C   UNL     1       2.009   2.098  -0.522  1.00  0.00           C  
HETATM   22  C   UNL     1       4.380   2.407  -0.390  1.00  0.00           C  
HETATM   23  C   UNL     1       4.550   1.058  -0.129  1.00  0.00           C  
HETATM   24  C   UNL     1       3.456   0.221  -0.066  1.00  0.00           C  
HETATM   25  C   UNL     1       3.644  -1.247   0.218  1.00  0.00           C  
HETATM   26  S   UNL     1       6.170   0.408   0.115  1.00  0.00           S  
HETATM   27  O   UNL     1       7.063   1.509   0.017  1.00  0.00           O  
HETATM   28  N   UNL     1       6.254  -0.124   1.681  1.00  0.00           N  
HETATM   29  O   UNL     1       6.267  -0.747  -0.707  1.00  0.00           O  
HETATM   30  H   UNL     1      -3.460  -4.839   0.168  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.888  -5.427   0.228  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.619   1.171  -0.321  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.959  -1.113  -1.051  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.971  -0.963   0.723  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.283   1.373  -1.215  1.00  0.00           H  
HETATM   36  H   UNL     1       2.985   3.979  -0.782  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.215  -0.179  -1.313  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.356  -0.114   0.461  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.606   2.267  -1.433  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.957   1.443  -0.617  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.285   3.487   0.616  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.982   2.026   1.587  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.908   3.513  -0.088  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.050   3.578   1.685  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.659   1.132   1.805  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.308   1.956   0.989  1.00  0.00           H  
HETATM   47  H   UNL     1       1.019   2.503  -0.673  1.00  0.00           H  
HETATM   48  H   UNL     1       5.240   3.058  -0.439  1.00  0.00           H  
HETATM   49  H   UNL     1       3.665  -1.799  -0.721  1.00  0.00           H  
HETATM   50  H   UNL     1       4.584  -1.397   0.749  1.00  0.00           H  
HETATM   51  H   UNL     1       2.818  -1.607   0.833  1.00  0.00           H  
HETATM   52  H   UNL     1       5.483  -0.039   2.264  1.00  0.00           H  
HETATM   53  H   UNL     1       7.073  -0.520   2.015  1.00  0.00           H  
CONECT    1    2    2    7                                            
CONECT    2    1    1    3    4                                       
CONECT    3    2   30   31                                            
CONECT    4    2    5    5                                            
CONECT    5    4    4    6   11                                       
CONECT    6    5    7    7    9                                       
CONECT    7    1    6    6    8                                       
CONECT    8    7   12                                                 
CONECT    9    6   10   32                                            
CONECT   10    9   11   11   14                                       
CONECT   11    5   10   10                                            
CONECT   12    8   13   33   34                                       
CONECT   13   12   16   20   35                                       
CONECT   14   10   21   21   24                                       
CONECT   15   21   22   22   36                                       
CONECT   16   13   17   37   38                                       
CONECT   17   16   18   39   40                                       
CONECT   18   17   19   41   42                                       
CONECT   19   18   20   43   44                                       
CONECT   20   13   19   45   46                                       
CONECT   21   14   14   15   47                                       
CONECT   22   15   15   23   48                                       
CONECT   23   22   24   24   26                                       
CONECT   24   14   23   23   25                                       
CONECT   25   24   49   50   51                                       
CONECT   26   23   27   27   28                                       
CONECT   26   29   29                                                 
CONECT   27   26   26                                                 
CONECT   28   26   52   53                                            
CONECT   29   26   26                                                 
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    9                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
