COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.733  -1.219  -0.232  1.00  0.00           C  
HETATM    2  C   UNL     1       5.287  -0.061   0.241  1.00  0.00           C  
HETATM    3  C   UNL     1       0.292   3.740   1.948  1.00  0.00           C  
HETATM    4  C   UNL     1       0.968   2.424   0.431  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.515  -0.162   0.920  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.045   0.370  -0.267  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.072  -0.296  -0.989  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.566  -1.496  -0.526  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.035  -2.032   0.663  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.008  -1.359   1.390  1.00  0.00           C  
HETATM   11  C   UNL     1       3.103   1.134   0.330  1.00  0.00           C  
HETATM   12  C   UNL     1       3.815  -0.054   0.142  1.00  0.00           C  
HETATM   13  C   UNL     1       3.123  -1.238  -0.141  1.00  0.00           C  
HETATM   14  C   UNL     1       1.043  -0.031  -0.047  1.00  0.00           C  
HETATM   15  C   UNL     1       1.729   1.139   0.232  1.00  0.00           C  
HETATM   16  C   UNL     1       7.411   1.074   0.611  1.00  0.00           C  
HETATM   17  C   UNL     1       1.677   3.425   1.358  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.131   2.330   1.503  1.00  0.00           C  
HETATM   19  C   UNL     1       0.507   3.017  -0.835  1.00  0.00           C  
HETATM   20  N   UNL     1       1.034  -2.399  -0.515  1.00  0.00           N  
HETATM   21  N   UNL     1       5.949   1.081   0.513  1.00  0.00           N  
HETATM   22  N   UNL     1       0.151   3.474  -1.812  1.00  0.00           N  
HETATM   23  O   UNL     1      -1.538  -3.212   1.120  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.780  -3.690  -1.579  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.023  -1.521  -2.565  1.00  0.00           O  
HETATM   26  O   UNL     1       3.804  -2.398  -0.326  1.00  0.00           O  
HETATM   27  O   UNL     1       5.902  -1.097   0.076  1.00  0.00           O  
HETATM   28  S   UNL     1      -0.331  -2.347  -1.451  1.00  0.00           S  
HETATM   29 BR   UNL     1      -3.735   2.012  -0.904  1.00  0.00          Br  
HETATM   30 CL   UNL     1      -3.597  -2.028   2.880  1.00  0.00          Cl  
HETATM   31  H   UNL     1       0.299   3.874   3.030  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.235   4.539   1.426  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.275   0.360   1.483  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.707   0.121  -1.916  1.00  0.00           H  
HETATM   35  H   UNL     1       3.632   2.050   0.549  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.034  -0.018  -0.122  1.00  0.00           H  
HETATM   37  H   UNL     1       7.719   0.395   1.406  1.00  0.00           H  
HETATM   38  H   UNL     1       7.837   0.741  -0.336  1.00  0.00           H  
HETATM   39  H   UNL     1       7.765   2.080   0.835  1.00  0.00           H  
HETATM   40  H   UNL     1       2.128   4.266   0.830  1.00  0.00           H  
HETATM   41  H   UNL     1       2.358   2.956   2.068  1.00  0.00           H  
HETATM   42  H   UNL     1       0.056   1.562   2.253  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.139   2.286   1.092  1.00  0.00           H  
HETATM   44  H   UNL     1       1.349  -3.246  -0.163  1.00  0.00           H  
HETATM   45  H   UNL     1       5.458   1.907   0.644  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.739  -3.121   1.658  1.00  0.00           H  
HETATM   47  H   UNL     1       4.060  -2.562  -1.244  1.00  0.00           H  
CONECT    1   14   20   13   13                                       
CONECT    2   12   21   27   27                                       
CONECT    3   17   18   31   32                                       
CONECT    4   17   18   19   15                                       
CONECT    5   10   10    6   33                                       
CONECT    6    7    7    5   29                                       
CONECT    7    8    6    6   34                                       
CONECT    8   28    9    9    7                                       
CONECT    9   23    8    8   10                                       
CONECT   10    9   30    5    5                                       
CONECT   11   15   12   12   35                                       
CONECT   12   11   11   13    2                                       
CONECT   13    1    1   12   26                                       
CONECT   14   15   15    1   36                                       
CONECT   15    4   14   14   11                                       
CONECT   16   21   37   38   39                                       
CONECT   17    3    4   40   41                                       
CONECT   18    3    4   42   43                                       
CONECT   19    4   22   22   22                                       
CONECT   20    1   28   44                                            
CONECT   21    2   16   45                                            
CONECT   22   19   19   19                                            
CONECT   23    9   46                                                 
CONECT   24   28   28                                                 
CONECT   25   28   28                                                 
CONECT   26   13   47                                                 
CONECT   27    2    2                                                 
CONECT   28   20   25   25   24                                       
CONECT   28   24    8                                                 
CONECT   29    6                                                      
CONECT   30   10                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35   11                                                      
CONECT   36   14                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   26                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
