COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1     -12.026  -1.245  -0.123  1.00  0.00          Br  
HETATM    2  C   UNL     1     -10.314  -1.402   0.829  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.230  -0.645   0.058  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.897  -0.767   0.800  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.814  -0.010   0.029  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.481  -0.131   0.770  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.398   0.626  -0.001  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.065   0.504   0.741  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.998   1.249  -0.018  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.275   1.819  -1.047  1.00  0.00           O  
HETATM   11  O   UNL     1      -0.739   1.280   0.448  1.00  0.00           O  
HETATM   12  P   UNL     1       0.342   2.097  -0.421  1.00  0.00           P  
HETATM   13  O   UNL     1      -0.044   3.660  -0.425  1.00  0.00           O  
HETATM   14  O   UNL     1       0.348   1.586  -1.809  1.00  0.00           O  
HETATM   15  O   UNL     1       1.804   1.908   0.227  1.00  0.00           O  
HETATM   16  C   UNL     1       2.994   2.424  -0.373  1.00  0.00           C  
HETATM   17  C   UNL     1       4.200   2.067   0.498  1.00  0.00           C  
HETATM   18  O   UNL     1       4.401   0.644   0.495  1.00  0.00           O  
HETATM   19  C   UNL     1       5.474   2.711  -0.083  1.00  0.00           C  
HETATM   20  O   UNL     1       6.061   3.603   0.867  1.00  0.00           O  
HETATM   21  C   UNL     1       6.414   1.511  -0.356  1.00  0.00           C  
HETATM   22  O   UNL     1       7.759   1.823   0.014  1.00  0.00           O  
HETATM   23  C   UNL     1       5.825   0.419   0.572  1.00  0.00           C  
HETATM   24  N   UNL     1       6.164  -0.917   0.076  1.00  0.00           N  
HETATM   25  C   UNL     1       5.385  -1.703  -0.720  1.00  0.00           C  
HETATM   26  N   UNL     1       5.995  -2.826  -0.970  1.00  0.00           N  
HETATM   27  C   UNL     1       7.200  -2.831  -0.351  1.00  0.00           C  
HETATM   28  C   UNL     1       7.325  -1.605   0.323  1.00  0.00           C  
HETATM   29  N   UNL     1       8.434  -1.356   1.012  1.00  0.00           N  
HETATM   30  C   UNL     1       9.406  -2.243   1.062  1.00  0.00           C  
HETATM   31  N   UNL     1       9.335  -3.408   0.443  1.00  0.00           N  
HETATM   32  C   UNL     1       8.262  -3.747  -0.264  1.00  0.00           C  
HETATM   33  N   UNL     1       8.198  -4.969  -0.911  1.00  0.00           N  
HETATM   34  H   UNL     1     -10.413  -0.976   1.828  1.00  0.00           H  
HETATM   35  H   UNL     1     -10.036  -2.453   0.908  1.00  0.00           H  
HETATM   36  H   UNL     1      -9.130  -1.070  -0.940  1.00  0.00           H  
HETATM   37  H   UNL     1      -9.507   0.406  -0.020  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.997  -0.341   1.798  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.620  -1.818   0.879  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.714  -0.435  -0.970  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.091   1.041  -0.050  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.581   0.294   1.769  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.204  -1.183   0.849  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.298   0.200  -0.999  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.675   1.677  -0.079  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.164   0.929   1.740  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.788  -0.547   0.820  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.067   4.062   0.454  1.00  0.00           H  
HETATM   49  H   UNL     1       3.120   1.989  -1.364  1.00  0.00           H  
HETATM   50  H   UNL     1       2.916   3.508  -0.459  1.00  0.00           H  
HETATM   51  H   UNL     1       4.037   2.417   1.518  1.00  0.00           H  
HETATM   52  H   UNL     1       5.247   3.237  -1.010  1.00  0.00           H  
HETATM   53  H   UNL     1       6.867   4.037   0.553  1.00  0.00           H  
HETATM   54  H   UNL     1       6.360   1.205  -1.400  1.00  0.00           H  
HETATM   55  H   UNL     1       8.141   2.562  -0.479  1.00  0.00           H  
HETATM   56  H   UNL     1       6.180   0.551   1.594  1.00  0.00           H  
HETATM   57  H   UNL     1       4.407  -1.434  -1.089  1.00  0.00           H  
HETATM   58  H   UNL     1      10.294  -2.010   1.630  1.00  0.00           H  
HETATM   59  H   UNL     1       7.413  -5.202  -1.432  1.00  0.00           H  
HETATM   60  H   UNL     1       8.938  -5.593  -0.843  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    1   34   35                                       
CONECT    3    4    2   36   37                                       
CONECT    4    5    3   38   39                                       
CONECT    5    6    4   40   41                                       
CONECT    6    7    5   42   43                                       
CONECT    7    8    6   44   45                                       
CONECT    8    9    7   46   47                                       
CONECT    9   11   10   10    8                                       
CONECT   10    9    9                                                 
CONECT   11   12    9                                                 
CONECT   12   14   14   15   13                                       
CONECT   12   11                                                      
CONECT   13   12   48                                                 
CONECT   14   12   12                                                 
CONECT   15   16   12                                                 
CONECT   16   17   15   49   50                                       
CONECT   17   19   16   18   51                                       
CONECT   18   17   23                                                 
CONECT   19   20   21   17   52                                       
CONECT   20   19   53                                                 
CONECT   21   22   19   23   54                                       
CONECT   22   21   55                                                 
CONECT   23   21   18   24   56                                       
CONECT   24   23   25   28                                            
CONECT   25   24   26   26   57                                       
CONECT   26   25   25   27                                            
CONECT   27   28   26   32   32                                       
CONECT   28   24   29   29   27                                       
CONECT   29   28   28   30                                            
CONECT   30   29   31   31   58                                       
CONECT   31   30   30   32                                            
CONECT   32   27   27   31   33                                       
CONECT   33   32   59   60                                            
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48   13                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   25                                                      
CONECT   58   30                                                      
CONECT   59   33                                                      
CONECT   60   33                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
