COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.365  -0.553   0.021  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.718  -1.161  -0.022  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.850  -0.356   0.088  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.704   1.135   0.251  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.106  -0.927   0.047  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.332  -0.058   0.167  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.242  -2.295  -0.103  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.122  -3.099  -0.213  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.861  -2.538  -0.179  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.393  -1.069   0.874  1.00  0.00           C  
HETATM   11  C   UNL     1       6.674  -1.894   1.309  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.329   3.496   1.344  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.468   2.751   0.015  1.00  0.00           C  
HETATM   14  C   UNL     1       1.423   3.312  -1.625  1.00  0.00           C  
HETATM   15  C   UNL     1       2.694   3.848  -0.991  1.00  0.00           C  
HETATM   16  C   UNL     1       3.590   2.649  -0.566  1.00  0.00           C  
HETATM   17  C   UNL     1       2.884   1.784   0.484  1.00  0.00           C  
HETATM   18  C   UNL     1       4.010  -1.201   1.049  1.00  0.00           C  
HETATM   19  C   UNL     1       4.724  -1.627  -0.055  1.00  0.00           C  
HETATM   20  C   UNL     1       4.051  -1.712  -1.401  1.00  0.00           C  
HETATM   21  C   UNL     1       6.056  -1.973   0.075  1.00  0.00           C  
HETATM   22  C   UNL     1       5.959  -1.468   2.413  1.00  0.00           C  
HETATM   23  C   UNL     1       4.627  -1.122   2.283  1.00  0.00           C  
HETATM   24  C   UNL     1       1.570   0.416  -1.349  1.00  0.00           C  
HETATM   25  C   UNL     1       0.243   1.220  -1.200  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.468   1.200   0.144  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.842   0.582   0.101  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.801   1.096  -0.753  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.061   0.534  -0.797  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.136  -0.500   0.910  1.00  0.00           C  
HETATM   31  F   UNL     1       3.610  -0.441  -1.783  1.00  0.00           F  
HETATM   32  F   UNL     1       4.961  -2.195  -2.348  1.00  0.00           F  
HETATM   33  F   UNL     1       2.957  -2.580  -1.321  1.00  0.00           F  
HETATM   34  N   UNL     1       0.774   2.505  -0.658  1.00  0.00           N  
HETATM   35  N   UNL     1       2.249   0.591  -0.075  1.00  0.00           N  
HETATM   36  O   UNL     1      -0.375   4.905   1.108  1.00  0.00           O  
HETATM   37  O   UNL     1       1.695  -1.804   0.146  1.00  0.00           O  
HETATM   38  O   UNL     1       1.875  -0.355   2.174  1.00  0.00           O  
HETATM   39  S   UNL     1       2.312  -0.758   0.884  1.00  0.00           S  
HETATM   40  H   UNL     1      -6.687   1.608  -0.730  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.545   1.522   0.827  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.774   1.353   0.776  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.646   0.265  -0.826  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.136  -0.626   0.635  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.100   0.815   0.777  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.227  -2.738  -0.135  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.233  -4.167  -0.331  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.987  -3.166  -0.269  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.622  -1.914   1.507  1.00  0.00           H  
HETATM   50  H   UNL     1       7.713  -2.169   1.411  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.147   3.212   2.007  1.00  0.00           H  
HETATM   52  H   UNL     1       0.622   3.236   1.809  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.256   3.149  -0.624  1.00  0.00           H  
HETATM   54  H   UNL     1       0.775   4.140  -1.912  1.00  0.00           H  
HETATM   55  H   UNL     1       1.669   2.714  -2.502  1.00  0.00           H  
HETATM   56  H   UNL     1       3.229   4.465  -1.713  1.00  0.00           H  
HETATM   57  H   UNL     1       2.441   4.444  -0.115  1.00  0.00           H  
HETATM   58  H   UNL     1       3.812   2.039  -1.441  1.00  0.00           H  
HETATM   59  H   UNL     1       4.522   3.029  -0.148  1.00  0.00           H  
HETATM   60  H   UNL     1       3.616   1.474   1.230  1.00  0.00           H  
HETATM   61  H   UNL     1       2.122   2.387   0.977  1.00  0.00           H  
HETATM   62  H   UNL     1       6.614  -2.306  -0.788  1.00  0.00           H  
HETATM   63  H   UNL     1       6.442  -1.406   3.377  1.00  0.00           H  
HETATM   64  H   UNL     1       4.069  -0.789   3.146  1.00  0.00           H  
HETATM   65  H   UNL     1       1.357  -0.638  -1.525  1.00  0.00           H  
HETATM   66  H   UNL     1       2.171   0.823  -2.162  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.394   1.238  -2.085  1.00  0.00           H  
HETATM   68  H   UNL     1       0.146   0.825   0.963  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.564   1.938  -1.386  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.810   0.936  -1.464  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.383  -0.897   1.575  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.293   5.440   1.909  1.00  0.00           H  
CONECT    1   10   10   29    2                                       
CONECT    2    1    3    3    9                                       
CONECT    3    4    2    2    5                                       
CONECT    4    3   40   41   42                                       
CONECT    5    3    6    7    7                                       
CONECT    6    5   43   44   45                                       
CONECT    7    5    5    8   46                                       
CONECT    8    9    9    7   47                                       
CONECT    9    2    8    8   48                                       
CONECT   10   30    1    1   49                                       
CONECT   11   22   22   21   50                                       
CONECT   12   13   36   51   52                                       
CONECT   13   34   12   26   53                                       
CONECT   14   15   34   54   55                                       
CONECT   15   16   14   56   57                                       
CONECT   16   17   15   58   59                                       
CONECT   17   16   35   60   61                                       
CONECT   18   23   23   19   39                                       
CONECT   19   21   21   18   20                                       
CONECT   20   33   19   31   32                                       
CONECT   21   11   19   19   62                                       
CONECT   22   11   11   23   63                                       
CONECT   23   22   18   18   64                                       
CONECT   24   35   25   65   66                                       
CONECT   25   34   24   26   67                                       
CONECT   26   13   25   27   68                                       
CONECT   27   26   30   30   28                                       
CONECT   28   27   29   29   69                                       
CONECT   29   28   28    1   70                                       
CONECT   30   27   27   10   71                                       
CONECT   31   20                                                      
CONECT   32   20                                                      
CONECT   33   20                                                      
CONECT   34   14   13   25                                            
CONECT   35   17   39   24                                            
CONECT   36   12   72                                                 
CONECT   37   39   39                                                 
CONECT   38   39   39                                                 
CONECT   39   37   37   18   35                                       
CONECT   39   38   38                                                 
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   36                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
