COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.160   2.499  -0.400  1.00  0.00           C  
HETATM    2  C   UNL     1       0.656   1.305   0.098  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.547   2.439   0.187  1.00  0.00           C  
HETATM    4  O   UNL     1      -1.450  -0.064   1.081  1.00  0.00           O  
HETATM    5  N   UNL     1       0.119   0.071  -0.481  1.00  0.00           N  
HETATM    6  O   UNL     1       0.476   3.713   0.006  1.00  0.00           O  
HETATM    7  C   UNL     1       2.117   1.473  -0.326  1.00  0.00           C  
HETATM    8  C   UNL     1       2.956   0.345   0.276  1.00  0.00           C  
HETATM    9  C   UNL     1       4.416   0.513  -0.148  1.00  0.00           C  
HETATM   10  N   UNL     1       5.220  -0.567   0.428  1.00  0.00           N  
HETATM   11  C   UNL     1       6.572  -0.625   0.183  1.00  0.00           C  
HETATM   12  N   UNL     1       7.138   0.282  -0.562  1.00  0.00           N  
HETATM   13  N   UNL     1       7.326  -1.639   0.724  1.00  0.00           N  
HETATM   14  N   UNL     1      -1.907   2.302   1.442  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.175   2.272   1.794  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.117   2.374   0.822  1.00  0.00           C  
HETATM   17  S   UNL     1      -3.080   2.525  -0.625  1.00  0.00           S  
HETATM   18  N   UNL     1      -2.291  -2.507   0.568  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.371  -1.902  -0.398  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.905  -0.566   0.121  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.091  -1.707  -1.734  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.326  -0.829  -1.525  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.146  -1.028  -2.728  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.446  -3.845   0.604  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.293  -4.402   1.493  1.00  0.00           N  
HETATM   26  O   UNL     1      -1.823  -4.550  -0.166  1.00  0.00           O  
HETATM   27  H   UNL     1      -0.224   2.468  -1.487  1.00  0.00           H  
HETATM   28  H   UNL     1       0.597   1.252   1.185  1.00  0.00           H  
HETATM   29  H   UNL     1       0.500  -0.288  -1.298  1.00  0.00           H  
HETATM   30  H   UNL     1       0.512   3.700   0.972  1.00  0.00           H  
HETATM   31  H   UNL     1       2.186   1.437  -1.413  1.00  0.00           H  
HETATM   32  H   UNL     1       2.490   2.434   0.030  1.00  0.00           H  
HETATM   33  H   UNL     1       2.887   0.381   1.363  1.00  0.00           H  
HETATM   34  H   UNL     1       2.583  -0.615  -0.080  1.00  0.00           H  
HETATM   35  H   UNL     1       4.486   0.477  -1.235  1.00  0.00           H  
HETATM   36  H   UNL     1       4.790   1.474   0.208  1.00  0.00           H  
HETATM   37  H   UNL     1       4.799  -1.242   0.983  1.00  0.00           H  
HETATM   38  H   UNL     1       8.092   0.242  -0.735  1.00  0.00           H  
HETATM   39  H   UNL     1       6.905  -2.314   1.279  1.00  0.00           H  
HETATM   40  H   UNL     1       8.280  -1.679   0.552  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.459   2.163   2.830  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.194   2.366   0.901  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.788  -1.945   1.182  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.511  -2.556  -0.541  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.396  -2.676  -2.127  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.889  -0.765  -2.456  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.955  -1.266  -0.749  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.015   0.170  -1.219  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.193  -1.557  -2.742  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.588  -1.050  -3.724  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.983   0.007  -2.426  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.790  -3.840   2.107  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.404  -5.365   1.518  1.00  0.00           H  
CONECT    1    2    3    6   27                                       
CONECT    2    1    5    7   28                                       
CONECT    3    1   14   14   17                                       
CONECT    4   20   20                                                 
CONECT    5    2   20   29                                            
CONECT    6    1   30                                                 
CONECT    7    2    8   31   32                                       
CONECT    8    7    9   33   34                                       
CONECT    9    8   10   35   36                                       
CONECT   10    9   11   37                                            
CONECT   11   10   12   12   13                                       
CONECT   12   11   11   38                                            
CONECT   13   11   39   40                                            
CONECT   14    3    3   15                                            
CONECT   15   14   16   16   41                                       
CONECT   16   15   15   17   42                                       
CONECT   17    3   16                                                 
CONECT   18   19   24   43                                            
CONECT   19   18   20   21   44                                       
CONECT   20    4    4    5   19                                       
CONECT   21   19   22   23   45                                       
CONECT   22   21   46   47   48                                       
CONECT   23   21   49   50   51                                       
CONECT   24   18   25   26   26                                       
CONECT   25   24   52   53                                            
CONECT   26   24   24                                                 
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
