COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.851  -1.048   0.456  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.114   0.858  -1.529  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.977   0.074  -1.470  1.00  0.00           C  
HETATM    4  C   UNL     1       0.072  -0.928   2.621  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.713   0.179   0.213  1.00  0.00           C  
HETATM    6  C   UNL     1       4.858   0.535   0.222  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.361   1.541  -0.663  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.122   0.686  -0.598  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.988  -0.264   0.397  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.846  -0.880  -0.478  1.00  0.00           C  
HETATM   11  S   UNL     1      -2.397  -1.879  -0.403  1.00  0.00           S  
HETATM   12  O   UNL     1      -2.761  -3.062   0.297  1.00  0.00           O  
HETATM   13  O   UNL     1      -1.848  -1.890  -1.713  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.234  -1.036   0.617  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.841  -1.589   1.821  1.00  0.00           C  
HETATM   16  C   UNL     1       0.593   0.287   2.217  1.00  0.00           C  
HETATM   17  C   UNL     1       0.199   0.841   1.013  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.142   0.783  -1.100  1.00  0.00           C  
HETATM   19  S   UNL     1       0.863   2.390   0.497  1.00  0.00           S  
HETATM   20  O   UNL     1      -0.245   3.192   0.111  1.00  0.00           O  
HETATM   21  O   UNL     1       1.794   2.780   1.497  1.00  0.00           O  
HETATM   22  N   UNL     1       1.742   2.113  -0.878  1.00  0.00           N  
HETATM   23  C   UNL     1       2.839   1.260  -0.842  1.00  0.00           C  
HETATM   24  C   UNL     1       3.001   0.294  -1.832  1.00  0.00           C  
HETATM   25  C   UNL     1       4.076  -0.556  -1.793  1.00  0.00           C  
HETATM   26  C   UNL     1       5.020  -0.440  -0.767  1.00  0.00           C  
HETATM   27  C   UNL     1       3.775   1.375   0.183  1.00  0.00           C  
HETATM   28  C   UNL     1       6.184  -1.344  -0.729  1.00  0.00           C  
HETATM   29  O   UNL     1       6.324  -2.191  -1.589  1.00  0.00           O  
HETATM   30  O   UNL     1       7.093  -1.231   0.260  1.00  0.00           O  
HETATM   31  C   UNL     1       0.495  -1.528   3.937  1.00  0.00           C  
HETATM   32  H   UNL     1      -4.747  -1.790   1.234  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.215   1.606  -2.302  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.190   0.209  -2.197  1.00  0.00           H  
HETATM   35  H   UNL     1       5.583   0.624   1.017  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.107   1.053  -1.291  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.763   1.674   0.342  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.110   2.513  -1.085  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.772  -0.393   1.129  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.248  -2.539   2.137  1.00  0.00           H  
HETATM   41  H   UNL     1       1.306   0.803   2.842  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.068   1.340  -0.959  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.364   1.457  -1.461  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.302  -0.010  -1.829  1.00  0.00           H  
HETATM   45  H   UNL     1       1.491   2.546  -1.710  1.00  0.00           H  
HETATM   46  H   UNL     1       2.274   0.208  -2.625  1.00  0.00           H  
HETATM   47  H   UNL     1       4.201  -1.306  -2.560  1.00  0.00           H  
HETATM   48  H   UNL     1       3.646   2.126   0.949  1.00  0.00           H  
HETATM   49  H   UNL     1       7.839  -1.846   0.242  1.00  0.00           H  
HETATM   50  H   UNL     1       1.367  -2.165   3.782  1.00  0.00           H  
HETATM   51  H   UNL     1       0.748  -0.731   4.636  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.322  -2.124   4.344  1.00  0.00           H  
CONECT    1   10    9    9   32                                       
CONECT    2    3    8    8   33                                       
CONECT    3   10   10    2   34                                       
CONECT    4   31   16   16   15                                       
CONECT    5   17   17   14   18                                       
CONECT    6   26   27   27   35                                       
CONECT    7    8   36   37   38                                       
CONECT    8    2    2    9    7                                       
CONECT    9    1    1    8   39                                       
CONECT   10   11    3    3    1                                       
CONECT   11   13   13   12   12                                       
CONECT   11   14   10                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   15   15    5   11                                       
CONECT   15    4   14   14   40                                       
CONECT   16    4    4   17   41                                       
CONECT   17   16   19    5    5                                       
CONECT   18    5   42   43   44                                       
CONECT   19   20   20   22   17                                       
CONECT   19   21   21                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   23   19   45                                            
CONECT   23   24   24   27   22                                       
CONECT   24   25   23   23   46                                       
CONECT   25   26   26   24   47                                       
CONECT   26   28   25   25    6                                       
CONECT   27    6    6   23   48                                       
CONECT   28   30   29   29   26                                       
CONECT   29   28   28                                                 
CONECT   30   28   49                                                 
CONECT   31    4   50   51   52                                       
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   27                                                      
CONECT   49   30                                                      
CONECT   50   31                                                      
CONECT   51   31                                                      
CONECT   52   31                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
