COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.683   3.132  -0.415  1.00  0.00           C  
HETATM    2  C   UNL     1       3.748   1.901  -0.267  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.188   5.685  -1.087  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.943   4.758  -0.410  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.635   3.595   0.438  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.890   2.638  -0.318  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.523   1.497   0.322  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.799   0.527  -0.352  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.869   1.305   1.653  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.498   0.146   2.309  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.781  -0.828   1.646  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.424  -0.643   0.310  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.651  -1.683  -0.403  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.342  -1.519  -1.567  1.00  0.00           O  
HETATM   15  N   UNL     1      -2.290  -2.812   0.238  1.00  0.00           N  
HETATM   16  S   UNL     1      -1.425  -3.977  -0.560  1.00  0.00           S  
HETATM   17  O   UNL     1      -1.176  -5.009   0.384  1.00  0.00           O  
HETATM   18  O   UNL     1      -2.093  -4.198  -1.795  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.071  -3.374  -0.906  1.00  0.00           O  
HETATM   20  C   UNL     1       0.817  -3.263   0.207  1.00  0.00           C  
HETATM   21  C   UNL     1       2.140  -2.648  -0.255  1.00  0.00           C  
HETATM   22  O   UNL     1       1.929  -1.287  -0.666  1.00  0.00           O  
HETATM   23  C   UNL     1       3.143  -2.623   0.915  1.00  0.00           C  
HETATM   24  O   UNL     1       4.307  -3.386   0.592  1.00  0.00           O  
HETATM   25  C   UNL     1       3.503  -1.125   1.073  1.00  0.00           C  
HETATM   26  O   UNL     1       4.900  -0.961   1.325  1.00  0.00           O  
HETATM   27  C   UNL     1       3.120  -0.551  -0.314  1.00  0.00           C  
HETATM   28  N   UNL     1       2.831   0.882  -0.217  1.00  0.00           N  
HETATM   29  C   UNL     1       1.600   1.448  -0.059  1.00  0.00           C  
HETATM   30  N   UNL     1       1.710   2.744  -0.010  1.00  0.00           N  
HETATM   31  C   UNL     1       3.015   3.090  -0.123  1.00  0.00           C  
HETATM   32  N   UNL     1       5.069   1.969  -0.405  1.00  0.00           N  
HETATM   33  N   UNL     1       5.036   4.277  -0.287  1.00  0.00           N  
HETATM   34  C   UNL     1       3.716   4.308  -0.140  1.00  0.00           C  
HETATM   35  N   UNL     1       3.047   5.512  -0.003  1.00  0.00           N  
HETATM   36  H   UNL     1       6.757   3.152  -0.528  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.407   6.515  -1.692  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.047   3.917   1.297  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.564   3.141   0.783  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.526   0.676  -1.386  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.430   2.065   2.177  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.770   0.004   3.345  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.493  -1.732   2.162  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.538  -2.942   1.167  1.00  0.00           H  
HETATM   45  H   UNL     1       0.367  -2.626   0.969  1.00  0.00           H  
HETATM   46  H   UNL     1       1.003  -4.253   0.624  1.00  0.00           H  
HETATM   47  H   UNL     1       2.548  -3.227  -1.083  1.00  0.00           H  
HETATM   48  H   UNL     1       2.677  -3.001   1.825  1.00  0.00           H  
HETATM   49  H   UNL     1       4.997  -3.357   1.270  1.00  0.00           H  
HETATM   50  H   UNL     1       2.911  -0.664   1.863  1.00  0.00           H  
HETATM   51  H   UNL     1       5.206  -1.383   2.140  1.00  0.00           H  
HETATM   52  H   UNL     1       3.913  -0.735  -1.038  1.00  0.00           H  
HETATM   53  H   UNL     1       0.672   0.901   0.014  1.00  0.00           H  
HETATM   54  H   UNL     1       2.084   5.522   0.107  1.00  0.00           H  
HETATM   55  H   UNL     1       3.542   6.346  -0.016  1.00  0.00           H  
CONECT    1   33   32   32   36                                       
CONECT    2   31   31   28   32                                       
CONECT    3    4    4    4   37                                       
CONECT    4    5    3    3    3                                       
CONECT    5    6    4   38   39                                       
CONECT    6    5    7                                                 
CONECT    7    6    9    9    8                                       
CONECT    8    7   12   12   40                                       
CONECT    9    7    7   10   41                                       
CONECT   10    9   11   11   42                                       
CONECT   11   10   10   12   43                                       
CONECT   12    8    8   11   13                                       
CONECT   13   12   15   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   44                                            
CONECT   16   15   18   18   19                                       
CONECT   16   17   17                                                 
CONECT   17   16   16                                                 
CONECT   18   16   16                                                 
CONECT   19   20   16                                                 
CONECT   20   21   19   45   46                                       
CONECT   21   23   20   22   47                                       
CONECT   22   21   27                                                 
CONECT   23   24   25   21   48                                       
CONECT   24   23   49                                                 
CONECT   25   23   27   26   50                                       
CONECT   26   25   51                                                 
CONECT   27   28   25   22   52                                       
CONECT   28   29    2   27                                            
CONECT   29   30   30   28   53                                       
CONECT   30   31   29   29                                            
CONECT   31   30   34    2    2                                       
CONECT   32    2    1    1                                            
CONECT   33   34   34    1                                            
CONECT   34   35   31   33   33                                       
CONECT   35   34   54   55                                            
CONECT   36    1                                                      
CONECT   37    3                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   15                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   29                                                      
CONECT   54   35                                                      
CONECT   55   35                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
