COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.334   0.087   3.655  1.00  0.00           C  
HETATM    2  C   UNL     1       5.386   0.736   2.432  1.00  0.00           C  
HETATM    3  C   UNL     1       4.428   0.465   1.479  1.00  0.00           C  
HETATM    4  C   UNL     1       3.378  -0.452   1.709  1.00  0.00           C  
HETATM    5  C   UNL     1       3.356  -1.090   2.973  1.00  0.00           C  
HETATM    6  C   UNL     1       4.308  -0.820   3.906  1.00  0.00           C  
HETATM    7  S   UNL     1       4.129   1.045  -0.170  1.00  0.00           S  
HETATM    8  C   UNL     1       2.661   0.101  -0.534  1.00  0.00           C  
HETATM    9  C   UNL     1       2.456  -0.612   0.597  1.00  0.00           C  
HETATM   10  C   UNL     1       1.288  -1.558   0.703  1.00  0.00           C  
HETATM   11  C   UNL     1       1.860   0.097  -1.777  1.00  0.00           C  
HETATM   12  C   UNL     1       1.433   1.302  -2.338  1.00  0.00           C  
HETATM   13  C   UNL     1       0.687   1.294  -3.497  1.00  0.00           C  
HETATM   14  C   UNL     1       0.359   0.090  -4.106  1.00  0.00           C  
HETATM   15  C   UNL     1       0.783  -1.110  -3.551  1.00  0.00           C  
HETATM   16  C   UNL     1       1.534  -1.110  -2.395  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.376   0.086  -5.248  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.546  -1.281  -5.626  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.788  -0.194   0.396  1.00  0.00           C  
HETATM   20  C   UNL     1       0.094  -0.822   1.256  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.120  -0.779   2.620  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.213  -0.099   3.127  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.096   0.528   2.267  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.883   0.480   0.902  1.00  0.00           C  
HETATM   25 BR   UNL     1      -1.503  -0.034   4.994  1.00  0.00          Br  
HETATM   26  C   UNL     1      -3.290   1.264   2.819  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.121  -0.884   2.998  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.549   0.547   3.413  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.278   1.109   4.084  1.00  0.00           C  
HETATM   30  N   UNL     1      -4.134   0.329   3.575  1.00  0.00           N  
HETATM   31  C   UNL     1      -4.638  -0.667   2.607  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.517  -0.745  -9.188  1.00  0.00           C  
HETATM   33  N   UNL     1      -0.673  -0.634  -7.985  1.00  0.00           N  
HETATM   34  C   UNL     1      -0.620   0.785  -7.576  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.922   1.580  -8.871  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.985   0.679  -9.551  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.371  -1.356  -6.912  1.00  0.00           C  
HETATM   38  O   UNL     1       6.274   0.338   4.605  1.00  0.00           O  
HETATM   39  H   UNL     1       6.172   1.447   2.226  1.00  0.00           H  
HETATM   40  H   UNL     1       2.574  -1.799   3.199  1.00  0.00           H  
HETATM   41  H   UNL     1       4.267  -1.321   4.861  1.00  0.00           H  
HETATM   42  H   UNL     1       1.047  -1.950  -0.284  1.00  0.00           H  
HETATM   43  H   UNL     1       1.546  -2.381   1.369  1.00  0.00           H  
HETATM   44  H   UNL     1       1.687   2.239  -1.864  1.00  0.00           H  
HETATM   45  H   UNL     1       0.356   2.225  -3.931  1.00  0.00           H  
HETATM   46  H   UNL     1       0.526  -2.044  -4.028  1.00  0.00           H  
HETATM   47  H   UNL     1       1.863  -2.044  -1.965  1.00  0.00           H  
HETATM   48  H   UNL     1       0.430  -1.735  -5.794  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.063  -1.816  -4.830  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.622  -0.231  -0.669  1.00  0.00           H  
HETATM   51  H   UNL     1       0.569  -1.269   3.291  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.572   0.971   0.231  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.952   2.063   3.478  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.865   1.690   1.997  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.206  -1.576   3.836  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.703  -1.234   2.145  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.376   0.512   4.123  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.816   1.138   2.538  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.350   0.998   5.166  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.155   2.160   3.824  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.567  -0.278   1.591  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.081  -1.599   2.697  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.937  -1.165 -10.010  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.380  -1.377  -8.979  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.376   0.991  -6.819  1.00  0.00           H  
HETATM   66  H   UNL     1       0.372   1.034  -7.200  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.030   1.669  -9.491  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.333   2.563  -8.638  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.978   0.824 -10.632  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.976   0.875  -9.141  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.500  -2.399  -7.200  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.347  -0.902  -6.744  1.00  0.00           H  
HETATM   73  H   UNL     1       6.991  -0.294   4.463  1.00  0.00           H  
CONECT    1    2    6    6   38                                       
CONECT    2    1    3    3   39                                       
CONECT    3    2    2    4    7                                       
CONECT    4    3    5    5    9                                       
CONECT    5    4    4    6   40                                       
CONECT    6    1    1    5   41                                       
CONECT    7    3    8                                                 
CONECT    8    7    9    9   11                                       
CONECT    9    4    8    8   10                                       
CONECT   10    9   20   42   43                                       
CONECT   11    8   12   12   16                                       
CONECT   12   11   11   13   44                                       
CONECT   13   12   14   14   45                                       
CONECT   14   13   13   15   17                                       
CONECT   15   14   16   16   46                                       
CONECT   16   11   15   15   47                                       
CONECT   17   14   18                                                 
CONECT   18   17   37   48   49                                       
CONECT   19   20   20   24   50                                       
CONECT   20   10   19   19   21                                       
CONECT   21   20   22   22   51                                       
CONECT   22   21   21   23   25                                       
CONECT   23   22   24   24   26                                       
CONECT   24   19   23   23   52                                       
CONECT   25   22                                                      
CONECT   26   23   30   53   54                                       
CONECT   27   28   31   55   56                                       
CONECT   28   27   29   57   58                                       
CONECT   29   28   30   59   60                                       
CONECT   30   26   29   31                                            
CONECT   31   27   30   61   62                                       
CONECT   32   33   36   63   64                                       
CONECT   33   32   34   37                                            
CONECT   34   33   35   65   66                                       
CONECT   35   34   36   67   68                                       
CONECT   36   32   35   69   70                                       
CONECT   37   18   33   71   72                                       
CONECT   38    1   73                                                 
CONECT   39    2                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   21                                                      
CONECT   52   24                                                      
CONECT   53   26                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   28                                                      
CONECT   59   29                                                      
CONECT   60   29                                                      
CONECT   61   31                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   37                                                      
CONECT   73   38                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
