COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.054   0.046  -1.003  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.832  -0.250  -0.442  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.450   1.705  -1.581  1.00  0.00           C  
HETATM    4  O   UNL     1      -7.065  -0.552   1.660  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.334   0.577  -1.438  1.00  0.00           C  
HETATM    6  C   UNL     1       4.734   1.738   0.957  1.00  0.00           C  
HETATM    7  C   UNL     1       3.799  -2.734  -1.071  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.145   1.553  -2.005  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.471  -1.865   1.790  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.370   1.616  -0.258  1.00  0.00           C  
HETATM   11  C   UNL     1       2.124   0.922   1.472  1.00  0.00           C  
HETATM   12  C   UNL     1       4.858   0.177  -0.909  1.00  0.00           C  
HETATM   13  C   UNL     1       2.728   1.901   2.256  1.00  0.00           C  
HETATM   14  C   UNL     1       4.004   2.308   2.014  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.145  -0.209   0.941  1.00  0.00           C  
HETATM   16  N   UNL     1      -4.917  -0.761   0.936  1.00  0.00           N  
HETATM   17  N   UNL     1      -6.201   0.781   0.030  1.00  0.00           N  
HETATM   18  S   UNL     1       2.411  -2.233  -0.017  1.00  0.00           S  
HETATM   19  C   UNL     1      -4.144  -0.103  -0.017  1.00  0.00           C  
HETATM   20  N   UNL     1       2.187  -0.629  -0.364  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.957   0.875  -0.593  1.00  0.00           C  
HETATM   22  C   UNL     1       2.802   0.345   0.419  1.00  0.00           C  
HETATM   23  C   UNL     1       1.342  -0.235  -1.494  1.00  0.00           C  
HETATM   24  C   UNL     1       4.129   0.745   0.147  1.00  0.00           C  
HETATM   25  O   UNL     1       1.208  -2.855  -0.446  1.00  0.00           O  
HETATM   26  O   UNL     1       2.795  -2.245   1.352  1.00  0.00           O  
HETATM   27  N   UNL     1      -1.011   0.428  -1.872  1.00  0.00           N  
HETATM   28  O   UNL     1      -0.319  -0.076   0.175  1.00  0.00           O  
HETATM   29  C   UNL     1       6.053   2.139   0.683  1.00  0.00           C  
HETATM   30  C   UNL     1       6.136   0.586  -1.141  1.00  0.00           C  
HETATM   31  C   UNL     1       6.730   1.566  -0.349  1.00  0.00           C  
HETATM   32  H   UNL     1      -2.202  -1.008  -0.002  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.077   2.464  -2.024  1.00  0.00           H  
HETATM   34  H   UNL     1       4.712  -2.247  -0.727  1.00  0.00           H  
HETATM   35  H   UNL     1       3.923  -3.816  -1.019  1.00  0.00           H  
HETATM   36  H   UNL     1       3.597  -2.441  -2.102  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.753   2.194  -2.781  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.290  -2.178   2.437  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.160  -2.703   1.166  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.630  -1.535   2.400  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.199   1.314   0.382  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.126   2.661  -0.069  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.656   1.493  -1.303  1.00  0.00           H  
HETATM   44  H   UNL     1       1.111   0.617   1.686  1.00  0.00           H  
HETATM   45  H   UNL     1       4.410  -0.584  -1.530  1.00  0.00           H  
HETATM   46  H   UNL     1       2.177   2.338   3.076  1.00  0.00           H  
HETATM   47  H   UNL     1       4.456   3.068   2.634  1.00  0.00           H  
HETATM   48  H   UNL     1       1.314  -1.043  -2.225  1.00  0.00           H  
HETATM   49  H   UNL     1       1.752   0.662  -1.958  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.782   0.600  -2.799  1.00  0.00           H  
HETATM   51  H   UNL     1       6.526   2.898   1.288  1.00  0.00           H  
HETATM   52  H   UNL     1       6.697   0.143  -1.951  1.00  0.00           H  
HETATM   53  H   UNL     1       7.744   1.877  -0.558  1.00  0.00           H  
CONECT    1   23   27   28   28                                       
CONECT    2   19    5    5   32                                       
CONECT    3   21    8    8   33                                       
CONECT    4   15   15                                                 
CONECT    5    2    2   27    8                                       
CONECT    6   24   14   14   29                                       
CONECT    7   18   34   35   36                                       
CONECT    8    3    3    5   37                                       
CONECT    9   16   38   39   40                                       
CONECT   10   17   41   42   43                                       
CONECT   11   22   13   13   44                                       
CONECT   12   24   30   30   45                                       
CONECT   13   11   11   14   46                                       
CONECT   14    6    6   13   47                                       
CONECT   15   16   17    4    4                                       
CONECT   16   15   19    9                                            
CONECT   17   15   21   10                                            
CONECT   18   20   25   25   26                                       
CONECT   18   26    7                                                 
CONECT   19   16   21   21    2                                       
CONECT   20   18   22   23                                            
CONECT   21   17   19   19    3                                       
CONECT   22   20   24   24   11                                       
CONECT   23   20    1   48   49                                       
CONECT   24   22   22    6   12                                       
CONECT   25   18   18                                                 
CONECT   26   18   18                                                 
CONECT   27    1    5   50                                            
CONECT   28    1    1                                                 
CONECT   29    6   31   31   51                                       
CONECT   30   12   12   31   52                                       
CONECT   31   29   29   30   53                                       
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   27                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   31                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
