COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.989   0.175  -0.169  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.742   0.729   1.044  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.121   0.071   1.126  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.871   0.346  -0.106  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.521   0.101  -0.227  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.813   0.432  -1.433  1.00  0.00           C  
HETATM    7  N   UNL     1       0.638   0.716  -0.433  1.00  0.00           N  
HETATM    8  C   UNL     1      -5.190  -0.218  -1.279  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.249  -0.152  -0.007  1.00  0.00           C  
HETATM   10  C   UNL     1       1.780   0.043  -0.381  1.00  0.00           C  
HETATM   11  C   UNL     1       3.553   0.937  -1.833  1.00  0.00           C  
HETATM   12  N   UNL     1       1.174   1.231   2.584  1.00  0.00           N  
HETATM   13  C   UNL     1       2.036   1.697   2.009  1.00  0.00           C  
HETATM   14  C   UNL     1       3.153   2.301   1.264  1.00  0.00           C  
HETATM   15  C   UNL     1       3.870   1.218   0.455  1.00  0.00           C  
HETATM   16  C   UNL     1       5.052   1.825  -0.326  1.00  0.00           C  
HETATM   17  C   UNL     1       4.702   1.568  -1.775  1.00  0.00           C  
HETATM   18  N   UNL     1       2.987   0.690  -0.596  1.00  0.00           N  
HETATM   19  C   UNL     1       1.748  -1.333  -0.103  1.00  0.00           C  
HETATM   20  C   UNL     1       0.515  -1.952   0.109  1.00  0.00           C  
HETATM   21  C   UNL     1       0.641  -3.324   0.376  1.00  0.00           C  
HETATM   22  C   UNL     1       1.877  -3.799   0.382  1.00  0.00           C  
HETATM   23  S   UNL     1       3.034  -2.523   0.044  1.00  0.00           S  
HETATM   24  N   UNL     1      -0.598  -1.185   0.036  1.00  0.00           N  
HETATM   25  N   UNL     1      -1.691   0.843  -0.286  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.628   2.296  -0.465  1.00  0.00           C  
HETATM   27  H   UNL     1      -2.836  -0.897  -0.044  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.180   0.511   1.952  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.858   1.807   0.938  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.003  -1.007   1.246  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.666   0.473   1.980  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.931   1.506  -1.578  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.302   0.003  -2.294  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.072  -1.293  -1.148  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.785  -0.024  -2.172  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.753   0.338   0.826  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.781   0.065  -0.933  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.234  -1.229   0.160  1.00  0.00           H  
HETATM   39  H   UNL     1       3.090   0.641  -2.762  1.00  0.00           H  
HETATM   40  H   UNL     1       2.768   3.064   0.588  1.00  0.00           H  
HETATM   41  H   UNL     1       3.853   2.755   1.964  1.00  0.00           H  
HETATM   42  H   UNL     1       4.210   0.415   1.109  1.00  0.00           H  
HETATM   43  H   UNL     1       5.127   2.896  -0.135  1.00  0.00           H  
HETATM   44  H   UNL     1       5.983   1.323  -0.062  1.00  0.00           H  
HETATM   45  H   UNL     1       5.301   1.857  -2.625  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.217  -3.954   0.564  1.00  0.00           H  
HETATM   47  H   UNL     1       2.137  -4.830   0.571  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.672   2.784   0.508  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.696   2.561  -0.963  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.471   2.623  -1.074  1.00  0.00           H  
CONECT    1    6    2   25   27                                       
CONECT    2    3    1   28   29                                       
CONECT    3    4    2   30   31                                       
CONECT    4    8    9    3                                            
CONECT    5    7   25   24   24                                       
CONECT    6    8    1   32   33                                       
CONECT    7   10   10    5                                            
CONECT    8    4    6   34   35                                       
CONECT    9    4   36   37   38                                       
CONECT   10   18    7    7   19                                       
CONECT   11   17   17   18   39                                       
CONECT   12   13   13   13                                            
CONECT   13   12   12   12   14                                       
CONECT   14   15   13   40   41                                       
CONECT   15   16   18   14   42                                       
CONECT   16   15   17   43   44                                       
CONECT   17   16   11   11   45                                       
CONECT   18   15   11   10                                            
CONECT   19   10   23   20   20                                       
CONECT   20   19   19   24   21                                       
CONECT   21   20   22   22   46                                       
CONECT   22   23   21   21   47                                       
CONECT   23   19   22                                                 
CONECT   24    5    5   20                                            
CONECT   25    1    5   26                                            
CONECT   26   25   48   49   50                                       
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   11                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
