COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.424   2.609   2.462  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.918   3.629   1.676  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.134   1.576   1.885  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.120   3.620   0.308  1.00  0.00           C  
HETATM    5  C   UNL     1       4.554  -1.237  -0.609  1.00  0.00           C  
HETATM    6  C   UNL     1       3.611   0.697   0.434  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.346   1.563   0.508  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.938  -0.994   0.112  1.00  0.00           C  
HETATM    9  C   UNL     1       3.299  -1.819  -0.567  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.830   2.591  -0.281  1.00  0.00           C  
HETATM   11  C   UNL     1       4.707   0.045  -0.098  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.107   0.456  -0.118  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.886  -1.547  -0.711  1.00  0.00           C  
HETATM   14  C   UNL     1       2.239  -1.103  -0.021  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.983  -1.678   1.002  1.00  0.00           C  
HETATM   16  C   UNL     1       0.004  -0.877  -0.734  1.00  0.00           C  
HETATM   17  C   UNL     1       0.534  -1.864   1.417  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.328  -1.630  -0.808  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.777  -2.658   1.431  1.00  0.00           C  
HETATM   20  C   UNL     1       3.084  -3.210  -1.105  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.176  -3.015  -0.893  1.00  0.00           C  
HETATM   22  N   UNL     1       2.424   0.120   0.452  1.00  0.00           N  
HETATM   23  N   UNL     1      -5.075   0.551  -0.994  1.00  0.00           N  
HETATM   24  N   UNL     1       0.973  -1.676   0.028  1.00  0.00           N  
HETATM   25  N   UNL     1      -1.745  -1.977   0.560  1.00  0.00           N  
HETATM   26  O   UNL     1      -3.311  -1.972   2.135  1.00  0.00           O  
HETATM   27  O   UNL     1      -5.501  -0.530  -1.320  1.00  0.00           O  
HETATM   28 CL   UNL     1      -3.083   2.581  -1.998  1.00  0.00          Cl  
HETATM   29 BR   UNL     1       6.399   0.890  -0.129  1.00  0.00          Br  
HETATM   30  H   UNL     1      -2.260   2.619   3.530  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.363   4.435   2.133  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.525   0.779   2.500  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.723   4.419  -0.300  1.00  0.00           H  
HETATM   34  H   UNL     1       5.395  -1.770  -1.027  1.00  0.00           H  
HETATM   35  H   UNL     1       3.725   1.695   0.829  1.00  0.00           H  
HETATM   36  H   UNL     1       0.383  -0.709  -1.742  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.147   0.082  -0.238  1.00  0.00           H  
HETATM   38  H   UNL     1       0.375  -0.892   1.883  1.00  0.00           H  
HETATM   39  H   UNL     1       1.297  -2.412   1.969  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.083  -0.995  -1.271  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.203  -2.539  -1.396  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.597  -3.668   1.061  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.167  -2.703   2.448  1.00  0.00           H  
HETATM   44  H   UNL     1       3.147  -3.929  -0.288  1.00  0.00           H  
HETATM   45  H   UNL     1       2.100  -3.272  -1.569  1.00  0.00           H  
HETATM   46  H   UNL     1       3.850  -3.435  -1.847  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.933  -3.327  -0.174  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.542  -3.190  -1.905  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.264  -3.589  -0.732  1.00  0.00           H  
CONECT    1    2    3    3   30                                       
CONECT    2    4    4    1   31                                       
CONECT    3    1    1    7   32                                       
CONECT    4    2    2   10   33                                       
CONECT    5   11   11    9   34                                       
CONECT    6   11   22   22   35                                       
CONECT    7   10   10    3   12                                       
CONECT    8   15   12   13   13                                       
CONECT    9    5   20   14   14                                       
CONECT   10    4   28    7    7                                       
CONECT   11   29    5    5    6                                       
CONECT   12    8    7   23   23                                       
CONECT   13    8    8   21   27                                       
CONECT   14    9    9   22   24                                       
CONECT   15   25   26   26    8                                       
CONECT   16   24   18   36   37                                       
CONECT   17   24   19   38   39                                       
CONECT   18   16   25   40   41                                       
CONECT   19   17   25   42   43                                       
CONECT   20    9   44   45   46                                       
CONECT   21   13   47   48   49                                       
CONECT   22    6    6   14                                            
CONECT   23   12   12   27                                            
CONECT   24   14   17   16                                            
CONECT   25   19   18   15                                            
CONECT   26   15   15                                                 
CONECT   27   13   23                                                 
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
