COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.123  -0.596  -1.166  1.00  0.00           C  
HETATM    2  C   UNL     1       2.666  -1.888   1.727  1.00  0.00           C  
HETATM    3  C   UNL     1       0.285  -1.671   1.858  1.00  0.00           C  
HETATM    4  C   UNL     1       1.311  -3.814   2.155  1.00  0.00           C  
HETATM    5  C   UNL     1       5.640  -2.479  -0.442  1.00  0.00           C  
HETATM    6  C   UNL     1       3.342   0.576  -0.567  1.00  0.00           C  
HETATM    7  C   UNL     1       2.622   1.334  -1.684  1.00  0.00           C  
HETATM    8  C   UNL     1       1.919   2.534  -1.105  1.00  0.00           C  
HETATM    9  C   UNL     1       0.583   2.447  -0.739  1.00  0.00           C  
HETATM   10  C   UNL     1       0.627   4.741  -0.040  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.457   1.252  -0.999  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.716   0.238  -1.144  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.465  -1.059  -1.306  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.184  -1.302  -2.462  1.00  0.00           C  
HETATM   15  F   UNL     1      -5.462   2.843   3.524  1.00  0.00           F  
HETATM   16  C   UNL     1      -5.043   2.217   2.402  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.208   1.115   2.494  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.780   0.476   1.346  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.451   2.673   1.160  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.021   2.032   0.014  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.184   0.936   0.107  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.430  -2.008  -0.301  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.117  -3.198  -0.448  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.841  -3.440  -1.603  1.00  0.00           C  
HETATM   25  F   UNL     1      -6.514  -4.602  -1.747  1.00  0.00           F  
HETATM   26  C   UNL     1      -5.873  -2.491  -2.611  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.217  -0.049  -1.038  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.056   2.305  -1.052  1.00  0.00           O  
HETATM   29  N   UNL     1      -0.113   1.245  -0.906  1.00  0.00           N  
HETATM   30  C   UNL     1      -0.062   3.556  -0.205  1.00  0.00           C  
HETATM   31  C   UNL     1       1.959   4.825  -0.400  1.00  0.00           C  
HETATM   32  C   UNL     1       2.606   3.723  -0.932  1.00  0.00           C  
HETATM   33  F   UNL     1       3.908   3.807  -1.282  1.00  0.00           F  
HETATM   34  C   UNL     1       5.277  -0.061  -2.021  1.00  0.00           C  
HETATM   35  N   UNL     1       6.113  -1.184  -2.466  1.00  0.00           N  
HETATM   36  N   UNL     1       4.685  -1.419  -0.085  1.00  0.00           N  
HETATM   37  C   UNL     1       6.734  -1.871  -1.325  1.00  0.00           C  
HETATM   38  S   UNL     1       4.254  -1.160   1.493  1.00  0.00           S  
HETATM   39  O   UNL     1       4.077   0.243   1.635  1.00  0.00           O  
HETATM   40  O   UNL     1       5.161  -1.914   2.286  1.00  0.00           O  
HETATM   41  C   UNL     1       2.556  -3.243   1.972  1.00  0.00           C  
HETATM   42  C   UNL     1       0.176  -3.027   2.103  1.00  0.00           C  
HETATM   43  C   UNL     1       1.531  -1.101   1.670  1.00  0.00           C  
HETATM   44  H   UNL     1       3.458  -1.202  -1.781  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.602  -1.056   1.818  1.00  0.00           H  
HETATM   46  H   UNL     1       1.225  -4.874   2.347  1.00  0.00           H  
HETATM   47  H   UNL     1       6.087  -2.890   0.463  1.00  0.00           H  
HETATM   48  H   UNL     1       5.123  -3.270  -0.986  1.00  0.00           H  
HETATM   49  H   UNL     1       2.609   0.197   0.146  1.00  0.00           H  
HETATM   50  H   UNL     1       4.031   1.249  -0.056  1.00  0.00           H  
HETATM   51  H   UNL     1       3.349   1.662  -2.427  1.00  0.00           H  
HETATM   52  H   UNL     1       1.891   0.677  -2.156  1.00  0.00           H  
HETATM   53  H   UNL     1       0.125   5.603   0.375  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.903   0.876  -2.008  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.208  -0.562  -3.248  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.892   0.756   3.463  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.129  -0.383   1.418  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.105   3.529   1.088  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.340   2.387  -0.955  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.864  -1.819   0.600  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.088  -3.939   0.337  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.438  -2.679  -3.512  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.896  -0.632  -1.901  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.019  -0.613  -0.125  1.00  0.00           H  
HETATM   65  H   UNL     1       0.372   0.406  -0.956  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.102   3.490   0.080  1.00  0.00           H  
HETATM   67  H   UNL     1       2.496   5.753  -0.266  1.00  0.00           H  
HETATM   68  H   UNL     1       4.875   0.460  -2.890  1.00  0.00           H  
HETATM   69  H   UNL     1       5.879   0.628  -1.429  1.00  0.00           H  
HETATM   70  H   UNL     1       5.581  -1.829  -3.030  1.00  0.00           H  
HETATM   71  H   UNL     1       7.316  -1.156  -0.743  1.00  0.00           H  
HETATM   72  H   UNL     1       7.389  -2.662  -1.690  1.00  0.00           H  
HETATM   73  H   UNL     1       3.444  -3.857   2.021  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.797  -3.472   2.251  1.00  0.00           H  
HETATM   75  H   UNL     1       1.616  -0.042   1.478  1.00  0.00           H  
CONECT    1   34   36    6   44                                       
CONECT    2   43   43   41   38                                       
CONECT    3   42   42   43   45                                       
CONECT    4   42   41   41   46                                       
CONECT    5   36   37   47   48                                       
CONECT    6    1    7   49   50                                       
CONECT    7    6    8   51   52                                       
CONECT    8    7    9    9   32                                       
CONECT    9   29    8    8   30                                       
CONECT   10   30   30   31   53                                       
CONECT   11   27   29   28   28                                       
CONECT   12   13   21   27   54                                       
CONECT   13   14   14   22   12                                       
CONECT   14   26   13   13   55                                       
CONECT   15   16                                                      
CONECT   16   15   19   19   17                                       
CONECT   17   16   18   18   56                                       
CONECT   18   17   17   21   57                                       
CONECT   19   16   16   20   58                                       
CONECT   20   19   21   21   59                                       
CONECT   21   20   20   18   12                                       
CONECT   22   23   23   13   60                                       
CONECT   23   24   22   22   61                                       
CONECT   24   25   26   26   23                                       
CONECT   25   24                                                      
CONECT   26   24   24   14   62                                       
CONECT   27   12   11   63   64                                       
CONECT   28   11   11                                                 
CONECT   29   11    9   65                                            
CONECT   30    9   10   10   66                                       
CONECT   31   32   32   10   67                                       
CONECT   32    8   33   31   31                                       
CONECT   33   32                                                      
CONECT   34    1   35   68   69                                       
CONECT   35   34   37   70                                            
CONECT   36   38    1    5                                            
CONECT   37   35    5   71   72                                       
CONECT   38   40   40    2   36                                       
CONECT   38   39   39                                                 
CONECT   39   38   38                                                 
CONECT   40   38   38                                                 
CONECT   41    4    4    2   73                                       
CONECT   42    3    3    4   74                                       
CONECT   43    3    2    2   75                                       
CONECT   44    1                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53   10                                                      
CONECT   54   12                                                      
CONECT   55   14                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   37                                                      
CONECT   72   37                                                      
CONECT   73   41                                                      
CONECT   74   42                                                      
CONECT   75   43                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
