COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.209   2.454   0.772  1.00  0.00           C  
HETATM    2  N   UNL     1       7.631   1.347   0.005  1.00  0.00           N  
HETATM    3  C   UNL     1       6.291   1.044   0.133  1.00  0.00           C  
HETATM    4  N   UNL     1       5.456   1.676   0.905  1.00  0.00           N  
HETATM    5  C   UNL     1       4.212   1.259   0.909  1.00  0.00           C  
HETATM    6  C   UNL     1       3.138   1.897   1.753  1.00  0.00           C  
HETATM    7  C   UNL     1       3.974   0.208   0.091  1.00  0.00           C  
HETATM    8  C   UNL     1       2.681  -0.462  -0.103  1.00  0.00           C  
HETATM    9  N   UNL     1       1.596  -0.050   0.554  1.00  0.00           N  
HETATM   10  C   UNL     1       0.431  -0.652   0.380  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.287  -0.882   0.918  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.670  -0.195   1.080  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.883  -0.886   1.005  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.889  -2.275   0.946  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.085  -2.963   0.868  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.282  -2.276   0.858  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.042   1.667  -2.099  1.00  0.00           C  
HETATM   18  O   UNL     1      -6.242   2.444  -2.113  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.582   1.476  -0.649  1.00  0.00           C  
HETATM   20  N   UNL     1      -5.712   0.947   0.130  1.00  0.00           N  
HETATM   21  C   UNL     1      -5.568  -0.144   0.909  1.00  0.00           C  
HETATM   22  O   UNL     1      -6.491  -0.520   1.605  1.00  0.00           O  
HETATM   23  C   UNL     1      -7.005   1.643   0.035  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.347   1.827  -1.449  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.080  -0.187   0.991  1.00  0.00           C  
HETATM   26  N   UNL     1       0.284  -1.682  -0.446  1.00  0.00           N  
HETATM   27  C   UNL     1       1.305  -2.156  -1.137  1.00  0.00           C  
HETATM   28  C   UNL     1       2.560  -1.555  -0.998  1.00  0.00           C  
HETATM   29  C   UNL     1       3.691  -2.033  -1.733  1.00  0.00           C  
HETATM   30  N   UNL     1       4.589  -2.413  -2.317  1.00  0.00           N  
HETATM   31  S   UNL     1       5.489  -0.212  -0.705  1.00  0.00           S  
HETATM   32  H   UNL     1       9.270   2.541   0.541  1.00  0.00           H  
HETATM   33  H   UNL     1       7.702   3.382   0.508  1.00  0.00           H  
HETATM   34  H   UNL     1       8.083   2.262   1.838  1.00  0.00           H  
HETATM   35  H   UNL     1       8.191   0.828  -0.593  1.00  0.00           H  
HETATM   36  H   UNL     1       2.660   2.698   1.189  1.00  0.00           H  
HETATM   37  H   UNL     1       2.394   1.148   2.022  1.00  0.00           H  
HETATM   38  H   UNL     1       3.584   2.308   2.659  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.600   0.606   1.622  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.955  -2.818   0.957  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.083  -4.042   0.821  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.215  -2.818   0.806  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.232   0.694  -2.552  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.265   2.185  -2.662  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.752   0.770  -0.617  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.266   2.433  -0.235  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.779   1.049   0.519  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.933   2.618   0.518  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.229   2.460  -1.543  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.546   0.854  -1.899  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.077   0.892   1.037  1.00  0.00           H  
HETATM   52  H   UNL     1       1.171  -2.994  -1.805  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    1    3   35                                            
CONECT    3    2    4    4   31                                       
CONECT    4    3    3    5                                            
CONECT    5    4    6    7    7                                       
CONECT    6    5   36   37   38                                       
CONECT    7    5    5    8   31                                       
CONECT    8    7    9    9   28                                       
CONECT    9    8    8   10                                            
CONECT   10    9   12   26   26                                       
CONECT   11   16   16   21   25                                       
CONECT   12   10   13   39                                            
CONECT   13   12   14   25   25                                       
CONECT   14   13   15   15   40                                       
CONECT   15   14   14   16   41                                       
CONECT   16   11   11   15   42                                       
CONECT   17   18   19   43   44                                       
CONECT   18   17   24                                                 
CONECT   19   17   20   45   46                                       
CONECT   20   19   21   23                                            
CONECT   21   11   20   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   20   24   47   48                                       
CONECT   24   18   23   49   50                                       
CONECT   25   11   13   13   51                                       
CONECT   26   10   10   27                                            
CONECT   27   26   28   28   52                                       
CONECT   28    8   27   27   29                                       
CONECT   29   28   30   30   30                                       
CONECT   30   29   29   29                                            
CONECT   31    3    7                                                 
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   27                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
