COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.951  -2.445  -1.276  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.011  -3.240  -1.712  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.264  -2.668  -1.820  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.421  -1.390  -1.508  1.00  0.00           N  
HETATM    5  N   UNL     1      -2.180  -1.171  -0.980  1.00  0.00           N  
HETATM    6  C   UNL     1     -10.101  -0.884   2.051  1.00  0.00           C  
HETATM    7  S   UNL     1      -8.678   0.212   1.794  1.00  0.00           S  
HETATM    8  O   UNL     1      -9.074   1.544   2.090  1.00  0.00           O  
HETATM    9  O   UNL     1      -7.553  -0.342   2.461  1.00  0.00           O  
HETATM   10  C   UNL     1      -8.416   0.071   0.004  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.248   0.933  -0.402  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.972   0.407  -0.406  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.457   2.248  -0.775  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.389   3.042  -1.148  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.108   2.524  -1.149  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.896   1.202  -0.780  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.601   0.674  -0.780  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.396  -0.659  -1.097  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.707  -2.966  -1.150  1.00  0.00           O  
HETATM   20  C   UNL     1       0.308  -2.124  -0.820  1.00  0.00           C  
HETATM   21  C   UNL     1       0.518  -1.775   0.508  1.00  0.00           C  
HETATM   22  F   UNL     1      -0.286  -2.273   1.473  1.00  0.00           F  
HETATM   23  C   UNL     1       1.551  -0.919   0.843  1.00  0.00           C  
HETATM   24  C   UNL     1       1.137  -1.617  -1.809  1.00  0.00           C  
HETATM   25  C   UNL     1       2.170  -0.762  -1.475  1.00  0.00           C  
HETATM   26  C   UNL     1       2.377  -0.408  -0.149  1.00  0.00           C  
HETATM   27  N   UNL     1       3.423   0.460   0.189  1.00  0.00           N  
HETATM   28  C   UNL     1       3.685   1.533  -0.583  1.00  0.00           C  
HETATM   29  O   UNL     1       2.974   1.784  -1.534  1.00  0.00           O  
HETATM   30  C   UNL     1       4.859   2.423  -0.265  1.00  0.00           C  
HETATM   31  C   UNL     1       4.830   3.853  -0.809  1.00  0.00           C  
HETATM   32  C   UNL     1       4.619   3.597   0.686  1.00  0.00           C  
HETATM   33  C   UNL     1       6.197   1.732  -0.194  1.00  0.00           C  
HETATM   34  O   UNL     1       7.155   2.206  -0.767  1.00  0.00           O  
HETATM   35  N   UNL     1       6.328   0.588   0.506  1.00  0.00           N  
HETATM   36  C   UNL     1       7.594   0.018   0.685  1.00  0.00           C  
HETATM   37  C   UNL     1       7.756  -1.358   0.597  1.00  0.00           C  
HETATM   38  C   UNL     1       9.006  -1.919   0.773  1.00  0.00           C  
HETATM   39  C   UNL     1      10.098  -1.109   1.036  1.00  0.00           C  
HETATM   40  F   UNL     1      11.320  -1.659   1.207  1.00  0.00           F  
HETATM   41  C   UNL     1       9.939   0.264   1.124  1.00  0.00           C  
HETATM   42  C   UNL     1       8.691   0.828   0.944  1.00  0.00           C  
HETATM   43  H   UNL     1      -2.855  -4.280  -1.960  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.106  -3.256  -2.155  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.947  -0.525   1.465  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.842  -1.895   1.735  1.00  0.00           H  
HETATM   47  H   UNL     1     -10.367  -0.891   3.108  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.207  -0.968  -0.252  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.312   0.402  -0.521  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.810  -0.622  -0.119  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.457   2.656  -0.775  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.555   4.069  -1.439  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.274   3.145  -1.441  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.846   1.242  -0.558  1.00  0.00           H  
HETATM   55  H   UNL     1       1.714  -0.647   1.875  1.00  0.00           H  
HETATM   56  H   UNL     1       0.976  -1.891  -2.841  1.00  0.00           H  
HETATM   57  H   UNL     1       2.815  -0.368  -2.247  1.00  0.00           H  
HETATM   58  H   UNL     1       3.960   0.289   0.979  1.00  0.00           H  
HETATM   59  H   UNL     1       5.779   4.294  -1.115  1.00  0.00           H  
HETATM   60  H   UNL     1       3.961   4.150  -1.396  1.00  0.00           H  
HETATM   61  H   UNL     1       3.611   3.727   1.081  1.00  0.00           H  
HETATM   62  H   UNL     1       5.428   3.871   1.362  1.00  0.00           H  
HETATM   63  H   UNL     1       5.545   0.160   0.887  1.00  0.00           H  
HETATM   64  H   UNL     1       6.904  -1.990   0.392  1.00  0.00           H  
HETATM   65  H   UNL     1       9.132  -2.989   0.705  1.00  0.00           H  
HETATM   66  H   UNL     1      10.792   0.893   1.330  1.00  0.00           H  
HETATM   67  H   UNL     1       8.569   1.900   1.008  1.00  0.00           H  
CONECT    1   19    5    5    2                                       
CONECT    2    1    3    3   43                                       
CONECT    3    2    2    4   44                                       
CONECT    4   18   18    3                                            
CONECT    5    1    1   18                                            
CONECT    6    7   45   46   47                                       
CONECT    7   10    8    8    6                                       
CONECT    7    9    9                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10   11    7   48   49                                       
CONECT   11   13   12   12   10                                       
CONECT   12   16   11   11   50                                       
CONECT   13   14   14   11   51                                       
CONECT   14   15   13   13   52                                       
CONECT   15   16   16   14   53                                       
CONECT   16   17   15   15   12                                       
CONECT   17   18   16   54                                            
CONECT   18    5   17    4    4                                       
CONECT   19    1   20                                                 
CONECT   20   21   19   24   24                                       
CONECT   21   22   23   23   20                                       
CONECT   22   21                                                      
CONECT   23   21   21   26   55                                       
CONECT   24   20   20   25   56                                       
CONECT   25   26   26   24   57                                       
CONECT   26   23   27   25   25                                       
CONECT   27   28   26   58                                            
CONECT   28   29   29   27   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31   32   33                                       
CONECT   31   32   30   59   60                                       
CONECT   32   31   30   61   62                                       
CONECT   33   30   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   36   63                                            
CONECT   36   35   37   37   42                                       
CONECT   37   36   36   38   64                                       
CONECT   38   37   39   39   65                                       
CONECT   39   38   38   41   40                                       
CONECT   40   39                                                      
CONECT   41   42   42   39   66                                       
CONECT   42   36   41   41   67                                       
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   17                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   27                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
CONECT   61   32                                                      
CONECT   62   32                                                      
CONECT   63   35                                                      
CONECT   64   37                                                      
CONECT   65   38                                                      
CONECT   66   41                                                      
CONECT   67   42                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
