COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.279  -2.218   0.524  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.103  -2.169  -0.053  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.389  -1.048  -0.141  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.988   0.078   0.428  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.353   1.384   0.424  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.910   2.338   0.931  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.014   1.545  -0.207  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.406   2.754  -0.222  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.048  -0.843  -0.769  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.477  -1.784  -1.286  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.414   0.474  -0.764  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.059   0.640  -1.402  1.00  0.00           C  
HETATM   13  C   UNL     1       0.030   0.273  -0.391  1.00  0.00           C  
HETATM   14  C   UNL     1       1.405   0.441  -1.039  1.00  0.00           C  
HETATM   15  C   UNL     1       2.494   0.075  -0.028  1.00  0.00           C  
HETATM   16  C   UNL     1       3.869   0.243  -0.676  1.00  0.00           C  
HETATM   17  C   UNL     1       4.958  -0.124   0.335  1.00  0.00           C  
HETATM   18  C   UNL     1       6.333   0.044  -0.313  1.00  0.00           C  
HETATM   19  C   UNL     1       7.422  -0.322   0.698  1.00  0.00           C  
HETATM   20  C   UNL     1       8.797  -0.154   0.050  1.00  0.00           C  
HETATM   21  C   UNL     1       9.886  -0.521   1.061  1.00  0.00           C  
HETATM   22  C   UNL     1      11.261  -0.352   0.413  1.00  0.00           C  
HETATM   23  S   UNL     1      -6.521  -0.576   1.038  1.00  0.00           S  
HETATM   24  H   UNL     1      -6.934  -3.067   0.648  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.001   3.372   0.224  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.929   1.676  -1.715  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.983  -0.015  -2.270  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.100  -0.763  -0.077  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.045   0.928   0.477  1.00  0.00           H  
HETATM   30  H   UNL     1       1.535   1.477  -1.352  1.00  0.00           H  
HETATM   31  H   UNL     1       1.481  -0.213  -1.907  1.00  0.00           H  
HETATM   32  H   UNL     1       2.364  -0.961   0.286  1.00  0.00           H  
HETATM   33  H   UNL     1       2.419   0.729   0.840  1.00  0.00           H  
HETATM   34  H   UNL     1       3.999   1.279  -0.989  1.00  0.00           H  
HETATM   35  H   UNL     1       3.945  -0.412  -1.544  1.00  0.00           H  
HETATM   36  H   UNL     1       4.828  -1.160   0.649  1.00  0.00           H  
HETATM   37  H   UNL     1       4.883   0.531   1.203  1.00  0.00           H  
HETATM   38  H   UNL     1       6.463   1.080  -0.626  1.00  0.00           H  
HETATM   39  H   UNL     1       6.409  -0.610  -1.181  1.00  0.00           H  
HETATM   40  H   UNL     1       7.292  -1.358   1.012  1.00  0.00           H  
HETATM   41  H   UNL     1       7.346   0.332   1.566  1.00  0.00           H  
HETATM   42  H   UNL     1       8.927   0.882  -0.263  1.00  0.00           H  
HETATM   43  H   UNL     1       8.873  -0.808  -0.818  1.00  0.00           H  
HETATM   44  H   UNL     1       9.756  -1.557   1.375  1.00  0.00           H  
HETATM   45  H   UNL     1       9.810   0.134   1.929  1.00  0.00           H  
HETATM   46  H   UNL     1      11.391   0.683   0.100  1.00  0.00           H  
HETATM   47  H   UNL     1      12.037  -0.614   1.133  1.00  0.00           H  
HETATM   48  H   UNL     1      11.337  -1.007  -0.455  1.00  0.00           H  
CONECT    1    2    2   23   24                                       
CONECT    2    1    1    3                                            
CONECT    3    2    4    4    9                                       
CONECT    4    3    3    5   23                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8   11   11                                       
CONECT    8    7   25                                                 
CONECT    9    3   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    7    7    9   12                                       
CONECT   12   11   13   26   27                                       
CONECT   13   12   14   28   29                                       
CONECT   14   13   15   30   31                                       
CONECT   15   14   16   32   33                                       
CONECT   16   15   17   34   35                                       
CONECT   17   16   18   36   37                                       
CONECT   18   17   19   38   39                                       
CONECT   19   18   20   40   41                                       
CONECT   20   19   21   42   43                                       
CONECT   21   20   22   44   45                                       
CONECT   22   21   46   47   48                                       
CONECT   23    1    4                                                 
CONECT   24    1                                                      
CONECT   25    8                                                      
CONECT   26   12                                                      
CONECT   27   12                                                      
CONECT   28   13                                                      
CONECT   29   13                                                      
CONECT   30   14                                                      
CONECT   31   14                                                      
CONECT   32   15                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
