COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.376   3.159  -1.189  1.00  0.00           C  
HETATM    2  C   UNL     1       6.778   4.635  -1.245  1.00  0.00           C  
HETATM    3  N   UNL     1       7.025   5.128   0.115  1.00  0.00           N  
HETATM    4  C   UNL     1       5.813   5.040   0.940  1.00  0.00           C  
HETATM    5  C   UNL     1       5.381   3.577   1.061  1.00  0.00           C  
HETATM    6  C   UNL     1       5.113   3.012  -0.336  1.00  0.00           C  
HETATM    7  N   UNL     1       4.756   1.595  -0.231  1.00  0.00           N  
HETATM    8  C   UNL     1       3.479   1.237   0.011  1.00  0.00           C  
HETATM    9  O   UNL     1       2.624   2.091   0.142  1.00  0.00           O  
HETATM   10  C   UNL     1       3.119  -0.193   0.117  1.00  0.00           C  
HETATM   11  C   UNL     1       1.798  -0.565   0.362  1.00  0.00           C  
HETATM   12  C   UNL     1       4.100  -1.175  -0.032  1.00  0.00           C  
HETATM   13  C   UNL     1       3.761  -2.510   0.068  1.00  0.00           C  
HETATM   14 BR   UNL     1       5.092  -3.838  -0.134  1.00  0.00          Br  
HETATM   15  C   UNL     1       2.451  -2.879   0.316  1.00  0.00           C  
HETATM   16  C   UNL     1       1.467  -1.908   0.461  1.00  0.00           C  
HETATM   17  N   UNL     1       0.144  -2.286   0.706  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.892  -1.458   0.325  1.00  0.00           C  
HETATM   19  S   UNL     1      -2.538  -1.718   0.707  1.00  0.00           S  
HETATM   20  N   UNL     1      -0.752  -0.367  -0.371  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.837   0.310  -0.651  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.983  -0.247  -0.154  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.336   0.286  -0.307  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.518   1.317  -0.929  1.00  0.00           O  
HETATM   25  N   UNL     1      -5.382  -0.365   0.240  1.00  0.00           N  
HETATM   26  C   UNL     1      -6.687   0.079  -0.003  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.021   1.411   0.215  1.00  0.00           C  
HETATM   28 CL   UNL     1      -5.822   2.526   0.791  1.00  0.00          Cl  
HETATM   29  C   UNL     1      -8.311   1.845  -0.026  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.267   0.958  -0.485  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.936  -0.367  -0.704  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.648  -0.807  -0.469  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.288  -2.250  -0.714  1.00  0.00           C  
HETATM   34  H   UNL     1       6.177   2.797  -2.198  1.00  0.00           H  
HETATM   35  H   UNL     1       7.184   2.578  -0.746  1.00  0.00           H  
HETATM   36  H   UNL     1       7.685   4.741  -1.840  1.00  0.00           H  
HETATM   37  H   UNL     1       5.974   5.213  -1.701  1.00  0.00           H  
HETATM   38  H   UNL     1       7.383   6.071   0.099  1.00  0.00           H  
HETATM   39  H   UNL     1       6.018   5.442   1.932  1.00  0.00           H  
HETATM   40  H   UNL     1       5.014   5.617   0.474  1.00  0.00           H  
HETATM   41  H   UNL     1       6.174   3.003   1.540  1.00  0.00           H  
HETATM   42  H   UNL     1       4.473   3.514   1.661  1.00  0.00           H  
HETATM   43  H   UNL     1       4.293   3.561  -0.800  1.00  0.00           H  
HETATM   44  H   UNL     1       5.439   0.914  -0.335  1.00  0.00           H  
HETATM   45  H   UNL     1       1.034   0.190   0.474  1.00  0.00           H  
HETATM   46  H   UNL     1       5.124  -0.891  -0.226  1.00  0.00           H  
HETATM   47  H   UNL     1       2.192  -3.924   0.393  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.047  -3.131   1.144  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.828   1.226  -1.221  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.231  -1.140   0.802  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.572   2.880   0.144  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.274   1.300  -0.673  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.685  -1.058  -1.062  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.459  -2.826   0.196  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.906  -2.648  -1.518  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.237  -2.320  -0.995  1.00  0.00           H  
CONECT    1    6    2   34   35                                       
CONECT    2    1    3   36   37                                       
CONECT    3    4    2   38                                            
CONECT    4    5    3   39   40                                       
CONECT    5    4    6   41   42                                       
CONECT    6    1    5    7   43                                       
CONECT    7    6    8   44                                            
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   11   12                                       
CONECT   11   10   10   16   45                                       
CONECT   12   10   13   13   46                                       
CONECT   13   12   12   15   14                                       
CONECT   14   13                                                      
CONECT   15   16   16   13   47                                       
CONECT   16   11   17   15   15                                       
CONECT   17   16   18   48                                            
CONECT   18   17   20   20   19                                       
CONECT   19   18   22                                                 
CONECT   20   18   18   21                                            
CONECT   21   20   22   22   49                                       
CONECT   22   21   21   19   23                                       
CONECT   23   22   25   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   50                                            
CONECT   26   25   32   32   27                                       
CONECT   27   26   28   29   29                                       
CONECT   28   27                                                      
CONECT   29   27   27   30   51                                       
CONECT   30   31   31   29   52                                       
CONECT   31   32   30   30   53                                       
CONECT   32   33   26   26   31                                       
CONECT   33   32   54   55   56                                       
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   15                                                      
CONECT   48   17                                                      
CONECT   49   21                                                      
CONECT   50   25                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   31                                                      
CONECT   54   33                                                      
CONECT   55   33                                                      
CONECT   56   33                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
