COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.924  -0.100  -0.410  1.00  0.00           O  
HETATM    2  C   UNL     1       6.884   0.389   0.153  1.00  0.00           C  
HETATM    3  C   UNL     1       8.110  -0.412   0.355  1.00  0.00           C  
HETATM    4  C   UNL     1       9.216   0.149   0.996  1.00  0.00           C  
HETATM    5  C   UNL     1      10.357  -0.603   1.181  1.00  0.00           C  
HETATM    6  C   UNL     1      10.407  -1.912   0.734  1.00  0.00           C  
HETATM    7  C   UNL     1       9.314  -2.474   0.097  1.00  0.00           C  
HETATM    8  C   UNL     1       9.378  -3.899  -0.387  1.00  0.00           C  
HETATM    9  F   UNL     1       8.379  -4.650   0.242  1.00  0.00           F  
HETATM   10  F   UNL     1       9.182  -3.930  -1.772  1.00  0.00           F  
HETATM   11  F   UNL     1      10.631  -4.441  -0.081  1.00  0.00           F  
HETATM   12  C   UNL     1       8.165  -1.733  -0.090  1.00  0.00           C  
HETATM   13  N   UNL     1       6.832   1.664   0.588  1.00  0.00           N  
HETATM   14  C   UNL     1       5.720   2.458   0.294  1.00  0.00           C  
HETATM   15  C   UNL     1       5.881   3.815   0.040  1.00  0.00           C  
HETATM   16  C   UNL     1       4.783   4.600  -0.251  1.00  0.00           C  
HETATM   17  C   UNL     1       3.520   4.040  -0.289  1.00  0.00           C  
HETATM   18  C   UNL     1       4.454   1.892   0.252  1.00  0.00           C  
HETATM   19  C   UNL     1       3.352   2.685  -0.035  1.00  0.00           C  
HETATM   20  N   UNL     1       2.074   2.118  -0.079  1.00  0.00           N  
HETATM   21  C   UNL     1       0.996   2.859   0.247  1.00  0.00           C  
HETATM   22  O   UNL     1       1.141   3.993   0.665  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.347   2.301   0.099  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.522   2.940   0.385  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.589   2.217   0.163  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.409   1.010  -0.290  1.00  0.00           C  
HETATM   27  S   UNL     1      -0.742   0.687  -0.488  1.00  0.00           S  
HETATM   28  N   UNL     1      -3.422   0.117  -0.577  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.748   0.521  -0.490  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.778  -0.397  -0.669  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.091   0.058  -0.571  1.00  0.00           C  
HETATM   32  N   UNL     1      -7.311   1.345  -0.312  1.00  0.00           N  
HETATM   33  C   UNL     1      -6.307   2.183  -0.149  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.603   3.632   0.143  1.00  0.00           C  
HETATM   35  N   UNL     1      -5.052   1.791  -0.229  1.00  0.00           N  
HETATM   36  N   UNL     1      -8.153  -0.817  -0.742  1.00  0.00           N  
HETATM   37  C   UNL     1      -8.060  -1.946   0.193  1.00  0.00           C  
HETATM   38  C   UNL     1      -9.203  -2.927  -0.080  1.00  0.00           C  
HETATM   39  N   UNL     1     -10.488  -2.229   0.066  1.00  0.00           N  
HETATM   40  C   UNL     1     -10.581  -1.100  -0.869  1.00  0.00           C  
HETATM   41  C   UNL     1      -9.438  -0.120  -0.596  1.00  0.00           C  
HETATM   42  C   UNL     1     -11.614  -3.156  -0.115  1.00  0.00           C  
HETATM   43  C   UNL     1     -11.771  -4.019   1.140  1.00  0.00           C  
HETATM   44  O   UNL     1     -12.122  -3.188   2.248  1.00  0.00           O  
HETATM   45  H   UNL     1       9.179   1.171   1.346  1.00  0.00           H  
HETATM   46  H   UNL     1      11.213  -0.171   1.677  1.00  0.00           H  
HETATM   47  H   UNL     1      11.302  -2.497   0.882  1.00  0.00           H  
HETATM   48  H   UNL     1       7.313  -2.173  -0.587  1.00  0.00           H  
HETATM   49  H   UNL     1       7.567   2.030   1.105  1.00  0.00           H  
HETATM   50  H   UNL     1       6.867   4.255   0.069  1.00  0.00           H  
HETATM   51  H   UNL     1       4.911   5.654  -0.448  1.00  0.00           H  
HETATM   52  H   UNL     1       2.663   4.657  -0.517  1.00  0.00           H  
HETATM   53  H   UNL     1       4.326   0.837   0.445  1.00  0.00           H  
HETATM   54  H   UNL     1       1.963   1.191  -0.344  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.564   3.951   0.761  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.208  -0.792  -0.839  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.566  -1.435  -0.878  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.670   3.778   1.221  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.805   4.254  -0.260  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.550   3.909  -0.320  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.105  -2.454   0.057  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.134  -1.578   1.217  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.114  -3.316  -1.094  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.153  -3.751   0.632  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.507  -1.468  -1.893  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.536  -0.592  -0.733  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.527   0.269   0.418  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.488   0.705  -1.308  1.00  0.00           H  
HETATM   69  H   UNL     1     -12.529  -2.588  -0.282  1.00  0.00           H  
HETATM   70  H   UNL     1     -11.422  -3.797  -0.975  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.555  -4.758   0.976  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.830  -4.528   1.350  1.00  0.00           H  
HETATM   73  H   UNL     1     -12.238  -3.669   3.079  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3   13    1    1                                       
CONECT    3   12   12    4    2                                       
CONECT    4    5    5    3   45                                       
CONECT    5    6    4    4   46                                       
CONECT    6    7    7    5   47                                       
CONECT    7    8    6    6   12                                       
CONECT    8    9   10   11    7                                       
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    8                                                      
CONECT   12    7    3    3   48                                       
CONECT   13    2   14   49                                            
CONECT   14   13   18   18   15                                       
CONECT   15   14   16   16   50                                       
CONECT   16   15   15   17   51                                       
CONECT   17   19   19   16   52                                       
CONECT   18   14   14   19   53                                       
CONECT   19   18   20   17   17                                       
CONECT   20   19   21   54                                            
CONECT   21   20   23   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   24   24   21   27                                       
CONECT   24   25   23   23   55                                       
CONECT   25   24   26   26                                            
CONECT   26   25   25   28   27                                       
CONECT   27   23   26                                                 
CONECT   28   26   29   56                                            
CONECT   29   28   30   30   35                                       
CONECT   30   29   29   31   57                                       
CONECT   31   30   36   32   32                                       
CONECT   32   31   31   33                                            
CONECT   33   35   35   32   34                                       
CONECT   34   33   58   59   60                                       
CONECT   35   29   33   33                                            
CONECT   36   37   31   41                                            
CONECT   37   36   38   61   62                                       
CONECT   38   37   39   63   64                                       
CONECT   39   38   40   42                                            
CONECT   40   41   39   65   66                                       
CONECT   41   36   40   67   68                                       
CONECT   42   39   43   69   70                                       
CONECT   43   42   44   71   72                                       
CONECT   44   43   73                                                 
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   20                                                      
CONECT   55   24                                                      
CONECT   56   28                                                      
CONECT   57   30                                                      
CONECT   58   34                                                      
CONECT   59   34                                                      
CONECT   60   34                                                      
CONECT   61   37                                                      
CONECT   62   37                                                      
CONECT   63   38                                                      
CONECT   64   38                                                      
CONECT   65   40                                                      
CONECT   66   40                                                      
CONECT   67   41                                                      
CONECT   68   41                                                      
CONECT   69   42                                                      
CONECT   70   42                                                      
CONECT   71   43                                                      
CONECT   72   43                                                      
CONECT   73   44                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
