COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.840   1.803  -0.276  1.00  0.00           C  
HETATM    2  C   UNL     1       7.014   0.566   0.084  1.00  0.00           C  
HETATM    3  C   UNL     1       6.447   0.542   1.510  1.00  0.00           C  
HETATM    4  C   UNL     1       4.950   0.699   1.418  1.00  0.00           C  
HETATM    5  N   UNL     1       4.094   1.362   2.204  1.00  0.00           N  
HETATM    6  N   UNL     1       2.891   1.231   1.755  1.00  0.00           N  
HETATM    7  C   UNL     1       2.890   0.484   0.663  1.00  0.00           C  
HETATM    8  C   UNL     1       1.713   0.103  -0.145  1.00  0.00           C  
HETATM    9  O   UNL     1       1.853  -0.592  -1.133  1.00  0.00           O  
HETATM   10  N   UNL     1       0.485   0.526   0.214  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.636   0.163  -0.555  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.624  -0.635  -1.709  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.852  -0.750  -2.143  1.00  0.00           N  
HETATM   14  N   UNL     1      -2.694  -0.032  -1.283  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.924   0.517  -0.309  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.147   0.098  -1.410  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.831  -0.998  -0.590  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.485  -2.368  -1.177  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.231  -3.463  -0.420  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.672  -3.618   0.991  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.040  -2.398   1.837  1.00  0.00           C  
HETATM   22  S   UNL     1      -4.246  -0.925   1.128  1.00  0.00           S  
HETATM   23  O   UNL     1      -2.839  -1.119   1.138  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.795   0.230   1.748  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.577   1.449  -0.900  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.761   2.550  -1.086  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.155   3.789  -0.617  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.364   3.928   0.038  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.180   2.828   0.224  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.789   1.590  -0.250  1.00  0.00           C  
HETATM   31  C   UNL     1       4.221   0.125   0.421  1.00  0.00           C  
HETATM   32  C   UNL     1       4.840  -0.708  -0.667  1.00  0.00           C  
HETATM   33  C   UNL     1       6.195  -0.085  -1.033  1.00  0.00           C  
HETATM   34  C   UNL     1       7.451  -0.772  -0.517  1.00  0.00           C  
HETATM   35  F   UNL     1       7.284  -1.915   0.272  1.00  0.00           F  
HETATM   36  F   UNL     1       8.576  -0.772  -1.349  1.00  0.00           F  
HETATM   37  H   UNL     1       8.387   2.143   0.603  1.00  0.00           H  
HETATM   38  H   UNL     1       8.544   1.551  -1.069  1.00  0.00           H  
HETATM   39  H   UNL     1       7.175   2.596  -0.619  1.00  0.00           H  
HETATM   40  H   UNL     1       6.689  -0.407   1.987  1.00  0.00           H  
HETATM   41  H   UNL     1       6.869   1.364   2.088  1.00  0.00           H  
HETATM   42  H   UNL     1       4.341   1.867   2.994  1.00  0.00           H  
HETATM   43  H   UNL     1       0.373   1.080   1.002  1.00  0.00           H  
HETATM   44  H   UNL     1       0.251  -1.077  -2.162  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.272   1.128   0.511  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.431  -0.002  -2.458  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.911  -0.852  -0.616  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.772  -2.394  -2.228  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.412  -2.538  -1.091  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.288  -3.203  -0.361  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.123  -4.407  -0.955  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.089  -4.515   1.449  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.587  -3.711   0.942  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.122  -2.266   1.835  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.693  -2.545   2.860  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.816   2.441  -1.597  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.517   4.649  -0.762  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.672   4.897   0.404  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.125   2.937   0.736  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.426   0.730  -0.105  1.00  0.00           H  
HETATM   61  H   UNL     1       4.994  -1.727  -0.310  1.00  0.00           H  
HETATM   62  H   UNL     1       4.187  -0.719  -1.540  1.00  0.00           H  
HETATM   63  H   UNL     1       6.250   0.372  -2.021  1.00  0.00           H  
CONECT    1    2   37   38   39                                       
CONECT    2   34   33    3    1                                       
CONECT    3    2    4   40   41                                       
CONECT    4    3   31   31    5                                       
CONECT    5    4    6   42                                            
CONECT    6    7    7    5                                            
CONECT    7   31    8    6    6                                       
CONECT    8    9    9    7   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   43                                            
CONECT   11   12   10   15   15                                       
CONECT   12   13   13   11   44                                       
CONECT   13   12   12   14                                            
CONECT   14   13   15   16                                            
CONECT   15   11   11   14   45                                       
CONECT   16   25   14   17   46                                       
CONECT   17   16   18   22   47                                       
CONECT   18   17   19   48   49                                       
CONECT   19   18   20   50   51                                       
CONECT   20   19   21   52   53                                       
CONECT   21   22   20   54   55                                       
CONECT   22   17   24   24   21                                       
CONECT   22   23   23                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   30   30   26   16                                       
CONECT   26   27   27   25   56                                       
CONECT   27   28   26   26   57                                       
CONECT   28   29   29   27   58                                       
CONECT   29   28   28   30   59                                       
CONECT   30   29   25   25   60                                       
CONECT   31   32    4    4    7                                       
CONECT   32   33   31   61   62                                       
CONECT   33   34   32    2   63                                       
CONECT   34   35   36   33    2                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    5                                                      
CONECT   43   10                                                      
CONECT   44   12                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   29                                                      
CONECT   60   30                                                      
CONECT   61   32                                                      
CONECT   62   32                                                      
CONECT   63   33                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
