COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.071  -3.731   1.188  1.00  0.00           C  
HETATM    2  C   UNL     1       2.065   1.900  -2.528  1.00  0.00           C  
HETATM    3  C   UNL     1       1.783   2.410  -1.279  1.00  0.00           C  
HETATM    4  C   UNL     1       3.274  -2.924   0.086  1.00  0.00           C  
HETATM    5  C   UNL     1       1.786  -4.068   1.573  1.00  0.00           C  
HETATM    6  C   UNL     1       1.899   0.209  -0.327  1.00  0.00           C  
HETATM    7  C   UNL     1       0.899  -2.789  -0.248  1.00  0.00           C  
HETATM    8  C   UNL     1       2.268   0.527  -2.690  1.00  0.00           C  
HETATM    9  C   UNL     1       1.700   1.568  -0.182  1.00  0.00           C  
HETATM   10  C   UNL     1       2.187  -2.450  -0.636  1.00  0.00           C  
HETATM   11  C   UNL     1       2.189  -0.321  -1.576  1.00  0.00           C  
HETATM   12  C   UNL     1       0.701  -3.597   0.856  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.917   1.963  -1.247  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.849   1.116  -1.735  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.160  -0.058  -1.008  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.598   0.556   0.617  1.00  0.00           C  
HETATM   17  C   UNL     1       2.565  -0.026  -4.023  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.632   4.016   2.407  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.721   3.105   1.834  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.317   3.239   2.494  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.943   1.855   0.606  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.277   2.591   0.462  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.548   1.417  -3.035  1.00  0.00           C  
HETATM   24  C   UNL     1       4.801   3.514   2.316  1.00  0.00           C  
HETATM   25  C   UNL     1       4.294   1.837   0.535  1.00  0.00           C  
HETATM   26  C   UNL     1       3.581   1.411   2.891  1.00  0.00           C  
HETATM   27  C   UNL     1       2.447   3.184   1.544  1.00  0.00           C  
HETATM   28  C   UNL     1       1.392   2.139   1.178  1.00  0.00           C  
HETATM   29  C   UNL     1       3.781   2.487   1.821  1.00  0.00           C  
HETATM   30  N   UNL     1      -4.522  -0.306   0.154  1.00  0.00           N  
HETATM   31  N   UNL     1      -3.288   1.672  -0.067  1.00  0.00           N  
HETATM   32  N   UNL     1       0.065   2.769   1.156  1.00  0.00           N  
HETATM   33  O   UNL     1      -5.997  -0.837  -1.427  1.00  0.00           O  
HETATM   34  O   UNL     1      -3.034   0.322   1.669  1.00  0.00           O  
HETATM   35  O   UNL     1       2.741  -1.220  -4.160  1.00  0.00           O  
HETATM   36  O   UNL     1       2.639   0.793  -5.091  1.00  0.00           O  
HETATM   37  O   UNL     1       2.385  -1.655  -1.720  1.00  0.00           O  
HETATM   38 BR   UNL     1      -1.054  -4.060   1.385  1.00  0.00          Br  
HETATM   39  H   UNL     1       3.917  -4.103   1.747  1.00  0.00           H  
HETATM   40  H   UNL     1       2.124   2.560  -3.381  1.00  0.00           H  
HETATM   41  H   UNL     1       1.625   3.471  -1.155  1.00  0.00           H  
HETATM   42  H   UNL     1       4.278  -2.661  -0.214  1.00  0.00           H  
HETATM   43  H   UNL     1       1.630  -4.700   2.435  1.00  0.00           H  
HETATM   44  H   UNL     1       1.837  -0.440   0.533  1.00  0.00           H  
HETATM   45  H   UNL     1       0.052  -2.421  -0.808  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.667   2.864  -1.788  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.502   4.880   1.755  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.923   4.352   3.402  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.879   2.260   2.506  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.649   3.667   1.730  1.00  0.00           H  
HETATM   51  H   UNL     1       0.464   3.889   2.887  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.444   2.383   3.156  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.068   1.005   1.277  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.617   1.500  -0.372  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.158   3.432  -0.220  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.985   0.980  -3.860  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.552   0.993  -3.015  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.613   2.497  -3.172  1.00  0.00           H  
HETATM   59  H   UNL     1       4.943   4.281   1.554  1.00  0.00           H  
HETATM   60  H   UNL     1       4.435   3.977   3.233  1.00  0.00           H  
HETATM   61  H   UNL     1       5.751   3.018   2.513  1.00  0.00           H  
HETATM   62  H   UNL     1       4.185   2.537  -0.294  1.00  0.00           H  
HETATM   63  H   UNL     1       5.345   1.576   0.654  1.00  0.00           H  
HETATM   64  H   UNL     1       3.717   0.936   0.327  1.00  0.00           H  
HETATM   65  H   UNL     1       4.548   0.991   3.169  1.00  0.00           H  
HETATM   66  H   UNL     1       3.112   1.855   3.769  1.00  0.00           H  
HETATM   67  H   UNL     1       2.941   0.621   2.497  1.00  0.00           H  
HETATM   68  H   UNL     1       2.568   3.883   0.717  1.00  0.00           H  
HETATM   69  H   UNL     1       2.129   3.726   2.434  1.00  0.00           H  
HETATM   70  H   UNL     1       1.401   1.338   1.918  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.733  -1.106   0.660  1.00  0.00           H  
HETATM   72  H   UNL     1       2.836   0.384  -5.945  1.00  0.00           H  
CONECT    1    4    4    5   39                                       
CONECT    2    3    8    8   40                                       
CONECT    3    9    9    2   41                                       
CONECT    4    1    1   10   42                                       
CONECT    5    1   12   12   43                                       
CONECT    6    9   11   11   44                                       
CONECT    7   10   10   12   45                                       
CONECT    8    2    2   11   17                                       
CONECT    9   28    3    3    6                                       
CONECT   10    4   37    7    7                                       
CONECT   11    6    6    8   37                                       
CONECT   12    5    5    7   38                                       
CONECT   13   31   14   14   46                                       
CONECT   14   15   13   13   23                                       
CONECT   15   30   33   33   14                                       
CONECT   16   30   34   34   31                                       
CONECT   17    8   35   35   36                                       
CONECT   18   19   20   47   48                                       
CONECT   19   18   22   49   50                                       
CONECT   20   18   32   51   52                                       
CONECT   21   22   32   53   54                                       
CONECT   22   19   31   21   55                                       
CONECT   23   14   56   57   58                                       
CONECT   24   29   59   60   61                                       
CONECT   25   29   62   63   64                                       
CONECT   26   29   65   66   67                                       
CONECT   27   28   29   68   69                                       
CONECT   28   32   27    9   70                                       
CONECT   29   27   25   24   26                                       
CONECT   30   16   15   71                                            
CONECT   31   16   22   13                                            
CONECT   32   20   21   28                                            
CONECT   33   15   15                                                 
CONECT   34   16   16                                                 
CONECT   35   17   17                                                 
CONECT   36   17   72                                                 
CONECT   37   11   10                                                 
CONECT   38   12                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46   13                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   30                                                      
CONECT   72   36                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
