COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.494  -0.252   0.302  1.00  0.00           C  
HETATM    2  N   UNL     1       6.274   0.549   0.168  1.00  0.00           N  
HETATM    3  C   UNL     1       6.208   1.889   0.756  1.00  0.00           C  
HETATM    4  C   UNL     1       5.212   0.052  -0.497  1.00  0.00           C  
HETATM    5  O   UNL     1       5.266  -1.057  -0.985  1.00  0.00           O  
HETATM    6  C   UNL     1       3.957   0.876  -0.636  1.00  0.00           C  
HETATM    7  C   UNL     1       3.118   0.774   0.656  1.00  0.00           C  
HETATM    8  N   UNL     1       3.130   0.348  -1.736  1.00  0.00           N  
HETATM    9  C   UNL     1       1.833  -0.094  -1.181  1.00  0.00           C  
HETATM   10  C   UNL     1       1.662   0.725   0.123  1.00  0.00           C  
HETATM   11  S   UNL     1       0.574  -0.132   1.289  1.00  0.00           S  
HETATM   12  C   UNL     1      -0.952  -0.030   0.415  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.688   1.245   0.076  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.123   1.966   1.354  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.914   0.784  -0.726  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.204   0.677   0.098  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.443   1.210  -0.626  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.667   1.057   0.279  1.00  0.00           C  
HETATM   19  O   UNL     1      -5.253   2.591  -0.941  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.038  -0.825  -0.005  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.694  -1.773   0.372  1.00  0.00           O  
HETATM   22  N   UNL     1      -2.845  -0.691  -0.698  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.651  -1.076  -0.066  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.243  -2.423   0.080  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.869  -3.312  -0.469  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.160  -2.723   0.827  1.00  0.00           O  
HETATM   27  H   UNL     1       7.436  -0.852   1.210  1.00  0.00           H  
HETATM   28  H   UNL     1       7.594  -0.908  -0.562  1.00  0.00           H  
HETATM   29  H   UNL     1       8.358   0.410   0.358  1.00  0.00           H  
HETATM   30  H   UNL     1       6.552   2.623   0.028  1.00  0.00           H  
HETATM   31  H   UNL     1       5.180   2.111   1.039  1.00  0.00           H  
HETATM   32  H   UNL     1       6.845   1.929   1.640  1.00  0.00           H  
HETATM   33  H   UNL     1       4.216   1.916  -0.832  1.00  0.00           H  
HETATM   34  H   UNL     1       3.360  -0.137   1.202  1.00  0.00           H  
HETATM   35  H   UNL     1       3.272   1.651   1.285  1.00  0.00           H  
HETATM   36  H   UNL     1       3.598  -0.410  -2.209  1.00  0.00           H  
HETATM   37  H   UNL     1       1.026   0.130  -1.878  1.00  0.00           H  
HETATM   38  H   UNL     1       1.859  -1.161  -0.960  1.00  0.00           H  
HETATM   39  H   UNL     1       1.290   1.727  -0.090  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.060   1.897  -0.531  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.243   2.339   1.878  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.774   2.801   1.097  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.661   1.270   1.998  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.018   1.245  -1.708  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.109   1.062   1.114  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.597   0.645  -1.545  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.513   1.622   1.198  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.549   1.436  -0.237  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.812   0.004   0.519  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.109   3.154  -0.169  1.00  0.00           H  
HETATM   51  H   UNL     1       0.086  -3.658   0.806  1.00  0.00           H  
CONECT    1    2   27   28   29                                       
CONECT    2    1    4    3                                            
CONECT    3    2   30   31   32                                       
CONECT    4    5    5    2    6                                       
CONECT    5    4    4                                                 
CONECT    6    7    4    8   33                                       
CONECT    7   10    6   34   35                                       
CONECT    8    9    6   36                                            
CONECT    9   10    8   37   38                                       
CONECT   10   11    9    7   39                                       
CONECT   11   12   10                                                 
CONECT   12   23   23   11   13                                       
CONECT   13   15   12   14   40                                       
CONECT   14   13   41   42   43                                       
CONECT   15   22   16   13   44                                       
CONECT   16   20   17   15   45                                       
CONECT   17   16   19   18   46                                       
CONECT   18   17   47   48   49                                       
CONECT   19   17   50                                                 
CONECT   20   21   21   22   16                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   15                                            
CONECT   23   24   22   12   12                                       
CONECT   24   25   25   26   23                                       
CONECT   25   24   24                                                 
CONECT   26   24   51                                                 
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   26                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
