COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.173   3.289   0.322  1.00  0.00           C  
HETATM    2  C   UNL     1       0.696   2.026   0.034  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.126   1.066  -0.376  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.422   1.301  -0.515  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.945   2.490  -0.254  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.184   3.493   0.159  1.00  0.00           C  
HETATM    7 BR   UNL     1       1.298   4.691   0.910  1.00  0.00          Br  
HETATM    8  N   UNL     1      -2.252   0.278  -0.944  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.600   0.537  -1.214  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.570  -0.386  -0.852  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.907  -0.122  -1.116  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.268   1.059  -1.751  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.298   1.974  -2.116  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.967   1.717  -1.849  1.00  0.00           C  
HETATM   15  N   UNL     1      -6.889  -1.048  -0.747  1.00  0.00           N  
HETATM   16  C   UNL     1      -6.765  -1.741   0.402  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.839  -1.509   1.154  1.00  0.00           O  
HETATM   18  N   UNL     1      -7.669  -2.690   0.718  1.00  0.00           N  
HETATM   19  C   UNL     1      -7.654  -3.517   1.933  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.860  -4.475   1.850  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.162  -4.523   0.329  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.839  -3.067  -0.096  1.00  0.00           C  
HETATM   23  N   UNL     1       2.051   1.777   0.178  1.00  0.00           N  
HETATM   24  C   UNL     1       2.588   0.447  -0.122  1.00  0.00           C  
HETATM   25  C   UNL     1       4.099   0.441   0.118  1.00  0.00           C  
HETATM   26  N   UNL     1       6.106  -0.954   0.034  1.00  0.00           N  
HETATM   27  C   UNL     1       6.817  -2.079  -0.179  1.00  0.00           C  
HETATM   28  O   UNL     1       6.259  -3.086  -0.560  1.00  0.00           O  
HETATM   29  C   UNL     1       4.659  -0.948  -0.196  1.00  0.00           C  
HETATM   30  C   UNL     1       8.305  -2.086   0.057  1.00  0.00           C  
HETATM   31  C   UNL     1       8.591  -1.738   1.519  1.00  0.00           C  
HETATM   32  C   UNL     1       8.970  -1.051  -0.852  1.00  0.00           C  
HETATM   33  C   UNL     1       8.857  -3.454  -0.252  1.00  0.00           C  
HETATM   34  O   UNL     1       8.115  -4.337  -0.626  1.00  0.00           O  
HETATM   35  N   UNL     1      10.175  -3.696  -0.111  1.00  0.00           N  
HETATM   36  H   UNL     1      -1.620   4.459   0.369  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.899  -0.618  -1.057  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.287  -1.304  -0.358  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.308   1.263  -1.961  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.582   2.891  -2.610  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.212   2.434  -2.135  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.660  -1.191  -1.319  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.728  -4.090   1.981  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.744  -2.882   2.815  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.593  -5.464   2.222  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.711  -4.072   2.400  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.510  -5.235  -0.176  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.211  -4.758   0.146  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.684  -2.412   0.119  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.588  -3.028  -1.156  1.00  0.00           H  
HETATM   51  H   UNL     1       2.645   2.483   0.478  1.00  0.00           H  
HETATM   52  H   UNL     1       2.384   0.200  -1.164  1.00  0.00           H  
HETATM   53  H   UNL     1       2.114  -0.290   0.526  1.00  0.00           H  
HETATM   54  H   UNL     1       4.303   0.688   1.159  1.00  0.00           H  
HETATM   55  H   UNL     1       4.573   1.178  -0.530  1.00  0.00           H  
HETATM   56  H   UNL     1       6.552  -0.149   0.339  1.00  0.00           H  
HETATM   57  H   UNL     1       4.455  -1.196  -1.238  1.00  0.00           H  
HETATM   58  H   UNL     1       4.185  -1.686   0.452  1.00  0.00           H  
HETATM   59  H   UNL     1       8.192  -0.749   1.743  1.00  0.00           H  
HETATM   60  H   UNL     1       8.118  -2.476   2.167  1.00  0.00           H  
HETATM   61  H   UNL     1       9.668  -1.743   1.690  1.00  0.00           H  
HETATM   62  H   UNL     1      10.047  -1.055  -0.682  1.00  0.00           H  
HETATM   63  H   UNL     1       8.767  -1.298  -1.894  1.00  0.00           H  
HETATM   64  H   UNL     1       8.571  -0.061  -0.629  1.00  0.00           H  
HETATM   65  H   UNL     1      10.769  -2.990   0.188  1.00  0.00           H  
HETATM   66  H   UNL     1      10.530  -4.577  -0.310  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    1    1    3   23                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5    8                                       
CONECT    5    4    6    6                                            
CONECT    6    1    5    5   36                                       
CONECT    7    1                                                      
CONECT    8    4    9   37                                            
CONECT    9    8   10   10   14                                       
CONECT   10    9    9   11   38                                       
CONECT   11   10   12   12   15                                       
CONECT   12   11   11   13   39                                       
CONECT   13   12   14   14   40                                       
CONECT   14    9   13   13   41                                       
CONECT   15   11   16   42                                            
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   22                                            
CONECT   19   18   20   43   44                                       
CONECT   20   19   21   45   46                                       
CONECT   21   20   22   47   48                                       
CONECT   22   18   21   49   50                                       
CONECT   23    2   24   51                                            
CONECT   24   23   25   52   53                                       
CONECT   25   24   29   54   55                                       
CONECT   26   27   29   56                                            
CONECT   27   26   28   28   30                                       
CONECT   28   27   27                                                 
CONECT   29   25   26   57   58                                       
CONECT   30   27   31   32   33                                       
CONECT   31   30   59   60   61                                       
CONECT   32   30   62   63   64                                       
CONECT   33   30   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   65   66                                            
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
CONECT   61   31                                                      
CONECT   62   32                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
