COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.787   0.575   3.385  1.00  0.00           C  
HETATM    2  C   UNL     1       1.222   2.012   2.507  1.00  0.00           C  
HETATM    3  C   UNL     1       1.666   3.014   3.386  1.00  0.00           C  
HETATM    4  C   UNL     1       2.715   2.707   4.268  1.00  0.00           C  
HETATM    5  C   UNL     1       0.057   3.858   2.202  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.527  -2.728   0.551  1.00  0.00           C  
HETATM    7  N   UNL     1       3.237   1.485   4.230  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.210  -3.278   0.057  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.316  -2.217   0.065  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.231  -1.483   1.207  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.797  -4.526  -0.356  1.00  0.00           C  
HETATM   12  N   UNL     1       1.807   0.818   2.542  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.488  -4.721  -0.765  1.00  0.00           C  
HETATM   14  C   UNL     1       0.404  -3.666  -0.760  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.010  -2.408  -0.344  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.164  -3.705   1.542  1.00  0.00           C  
HETATM   17  C   UNL     1       2.199  -1.641  -0.774  1.00  0.00           C  
HETATM   18  C   UNL     1       3.033  -0.360  -0.698  1.00  0.00           C  
HETATM   19  C   UNL     1       4.439  -0.648  -1.158  1.00  0.00           C  
HETATM   20  O   UNL     1      -5.267   4.809  -3.217  1.00  0.00           O  
HETATM   21  P   UNL     1      -4.003   5.411  -2.423  1.00  0.00           P  
HETATM   22  O   UNL     1      -3.180   6.398  -3.393  1.00  0.00           O  
HETATM   23  O   UNL     1      -4.476   6.163  -1.240  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.047   4.206  -1.946  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.453   3.220  -0.995  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.309   2.228  -0.769  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.776   1.096   0.162  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.749   1.120   1.337  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.570   1.912   0.723  1.00  0.00           C  
HETATM   30  N   UNL     1       0.208   2.573   1.774  1.00  0.00           N  
HETATM   31  N   UNL     1       3.194   3.653   5.157  1.00  0.00           N  
HETATM   32  N   UNL     1       0.913   4.115   3.148  1.00  0.00           N  
HETATM   33  O   UNL     1      -1.209   2.890  -0.123  1.00  0.00           O  
HETATM   34  O   UNL     1      -2.474  -0.175  -0.462  1.00  0.00           O  
HETATM   35  B   UNL     1      -2.113  -0.986   0.586  1.00  0.00           B1-
HETATM   36  O   UNL     1      -1.357  -0.259   1.465  1.00  0.00           O  
HETATM   37  N   UNL     1      -5.497  -3.217   1.923  1.00  0.00           N  
HETATM   38 BR   UNL     1      -3.015  -5.972  -0.363  1.00  0.00          Br  
HETATM   39  O   UNL     1       0.866  -1.368  -0.338  1.00  0.00           O  
HETATM   40  O   UNL     1       4.744  -1.767  -1.511  1.00  0.00           O  
HETATM   41  N   UNL     1       5.357   0.339  -1.176  1.00  0.00           N  
HETATM   42  C   UNL     1       6.654   0.073  -1.600  1.00  0.00           C  
HETATM   43  N   UNL     1       7.610   0.947  -1.656  1.00  0.00           N  
HETATM   44  C   UNL     1       8.783   0.521  -2.084  1.00  0.00           C  
HETATM   45  C   UNL     1       8.821  -0.773  -2.405  1.00  0.00           C  
HETATM   46  S   UNL     1       7.222  -1.454  -2.116  1.00  0.00           S  
HETATM   47  H   UNL     1       3.243  -0.404   3.384  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.666   4.560   1.813  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.200  -2.557  -0.290  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.165  -5.699  -1.089  1.00  0.00           H  
HETATM   51  H   UNL     1       1.424  -3.820  -1.080  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.256  -4.686   1.077  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.538  -3.781   2.431  1.00  0.00           H  
HETATM   54  H   UNL     1       2.179  -2.001  -1.802  1.00  0.00           H  
HETATM   55  H   UNL     1       2.643  -2.402  -0.132  1.00  0.00           H  
HETATM   56  H   UNL     1       2.589   0.400  -1.340  1.00  0.00           H  
HETATM   57  H   UNL     1       3.053  -0.001   0.331  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.031   4.302  -4.006  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.695   7.148  -3.719  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.703   3.706  -0.052  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.326   2.688  -1.373  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.986   1.813  -1.723  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.812   1.200   0.484  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.140   1.561   2.254  1.00  0.00           H  
HETATM   65  H   UNL     1       0.068   1.253   0.134  1.00  0.00           H  
HETATM   66  H   UNL     1       2.804   4.542   5.176  1.00  0.00           H  
HETATM   67  H   UNL     1       3.919   3.429   5.761  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.938  -3.845   2.577  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.446  -2.281   2.297  1.00  0.00           H  
HETATM   70  H   UNL     1       5.112   1.234  -0.893  1.00  0.00           H  
HETATM   71  H   UNL     1       9.644   1.169  -2.168  1.00  0.00           H  
HETATM   72  H   UNL     1       9.682  -1.311  -2.773  1.00  0.00           H  
CONECT    1   12   12    7   47                                       
CONECT    2   12   30    3    3                                       
CONECT    3    2    2    4   32                                       
CONECT    4    7    7    3   31                                       
CONECT    5   30   32   32   48                                       
CONECT    6   16    8   10   49                                       
CONECT    7    1    4    4                                            
CONECT    8   11    6    9    9                                       
CONECT    9    8    8   15   35                                       
CONECT   10    6   35                                                 
CONECT   11   38   13   13    8                                       
CONECT   12    1    1    2                                            
CONECT   13   11   11   14   50                                       
CONECT   14   13   15   15   51                                       
CONECT   15   14   14    9   39                                       
CONECT   16   37    6   52   53                                       
CONECT   17   39   18   54   55                                       
CONECT   18   17   19   56   57                                       
CONECT   19   40   40   18   41                                       
CONECT   20   21   58                                                 
CONECT   21   24   23   23   22                                       
CONECT   21   20                                                      
CONECT   22   21   59                                                 
CONECT   23   21   21                                                 
CONECT   24   25   21                                                 
CONECT   25   26   24   60   61                                       
CONECT   26   33   27   25   62                                       
CONECT   27   28   34   26   63                                       
CONECT   28   36   29   27   64                                       
CONECT   29   28   30   33   65                                       
CONECT   30    2   29    5                                            
CONECT   31    4   66   67                                            
CONECT   32    3    5    5                                            
CONECT   33   29   26                                                 
CONECT   34   35   27                                                 
CONECT   35   36    9   10   34                                       
CONECT   36   35   28                                                 
CONECT   37   16   68   69                                            
CONECT   38   11                                                      
CONECT   39   15   17                                                 
CONECT   40   19   19                                                 
CONECT   41   19   42   70                                            
CONECT   42   46   41   43   43                                       
CONECT   43   42   42   44                                            
CONECT   44   45   45   43   71                                       
CONECT   45   46   44   44   72                                       
CONECT   46   45   42                                                 
CONECT   47    1                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   20                                                      
CONECT   59   22                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   31                                                      
CONECT   67   31                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
CONECT   70   41                                                      
CONECT   71   44                                                      
CONECT   72   45                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
