COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.384   1.195   0.509  1.00  0.00           C  
HETATM    2  C   UNL     1       6.037   0.047   0.098  1.00  0.00           C  
HETATM    3  C   UNL     1       4.142   1.107   1.108  1.00  0.00           C  
HETATM    4  C   UNL     1       5.446  -1.189   0.288  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.368  -0.827   2.116  1.00  0.00           C  
HETATM    6  C   UNL     1       4.204  -1.277   0.887  1.00  0.00           C  
HETATM    7  C   UNL     1       3.549  -0.128   1.292  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.564  -0.601  -0.321  1.00  0.00           C  
HETATM    9  C   UNL     1       0.167  -1.057   0.723  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.776  -1.258  -0.929  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.201  -1.127  -0.729  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.448  -0.541  -0.119  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.660  -0.918  -0.975  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.632  -1.094   1.296  1.00  0.00           C  
HETATM   15  C   UNL     1       2.195  -0.224   1.945  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.938  -0.431  -0.291  1.00  0.00           C  
HETATM   17  N   UNL     1       1.014   0.789   0.050  1.00  0.00           N  
HETATM   18  N   UNL     1      -0.001   0.551  -0.704  1.00  0.00           N  
HETATM   19  N   UNL     1      -2.989  -0.688  -0.336  1.00  0.00           N  
HETATM   20  N   UNL     1       1.151  -0.150   0.919  1.00  0.00           N  
HETATM   21  O   UNL     1      -6.529   1.854   0.343  1.00  0.00           O  
HETATM   22  O   UNL     1      -4.288  -1.992  -1.575  1.00  0.00           O  
HETATM   23  O   UNL     1      -4.076   1.638   0.577  1.00  0.00           O  
HETATM   24  S   UNL     1      -5.296   1.265  -0.048  1.00  0.00           S  
HETATM   25 BR   UNL     1       7.737   0.167  -0.722  1.00  0.00          Br  
HETATM   26  H   UNL     1       5.847   2.160   0.365  1.00  0.00           H  
HETATM   27  H   UNL     1       3.634   2.003   1.432  1.00  0.00           H  
HETATM   28  H   UNL     1       5.956  -2.086  -0.033  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.517  -1.316   1.642  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.188   0.247   2.166  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.499  -1.220   3.124  1.00  0.00           H  
HETATM   32  H   UNL     1       3.742  -2.242   1.035  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.002  -1.963   1.286  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.782  -1.084  -2.005  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.745  -2.329  -0.734  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.571  -0.450  -1.955  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.700  -2.001  -1.092  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.812  -2.168   1.245  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.483  -0.605   1.769  1.00  0.00           H  
HETATM   40  H   UNL     1       2.114  -1.172   2.478  1.00  0.00           H  
HETATM   41  H   UNL     1       2.072   0.600   2.649  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.801  -0.698  -0.900  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.027  -0.898   0.690  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.898   0.652  -0.174  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.919   0.004   0.340  1.00  0.00           H  
HETATM   46  O   UNL     1      -5.121   1.689  -1.499  1.00  0.00           O  
HETATM   47  H   UNL     1      -5.025   2.644  -1.621  1.00  0.00           H  
CONECT    1    2    2    3   26                                       
CONECT    2   25    1    1    4                                       
CONECT    3    1    7    7   27                                       
CONECT    4    2    6    6   28                                       
CONECT    5   14   29   30   31                                       
CONECT    6    4    4    7   32                                       
CONECT    7    3    3    6   15                                       
CONECT    8   18    9    9   10                                       
CONECT    9   20    8    8   33                                       
CONECT   10    8   19   34   35                                       
CONECT   11   22   22   19   12                                       
CONECT   12   11   14   13   24                                       
CONECT   13   12   16   36   37                                       
CONECT   14    5   12   38   39                                       
CONECT   15    7   20   40   41                                       
CONECT   16   13   42   43   44                                       
CONECT   17   20   18   18                                            
CONECT   18   17   17    8                                            
CONECT   19   10   11   45                                            
CONECT   20   15   17    9                                            
CONECT   21   24   24                                                 
CONECT   22   11   11                                                 
CONECT   23   24   24                                                 
CONECT   24   12   23   23   21                                       
CONECT   24   21   46                                                 
CONECT   25    2                                                      
CONECT   26    1                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   19                                                      
CONECT   46   24   47                                                 
CONECT   47   46                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
