COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.363   2.982  -1.640  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.653   3.404  -0.349  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.067   2.774   0.742  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.193   1.726   0.547  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.898   1.297  -0.751  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.495   1.931  -1.844  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.514   4.436  -0.151  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.964   0.178  -0.965  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.140  -1.115  -0.593  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.882  -1.859  -1.049  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.303  -1.686   0.108  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.600   0.234  -1.658  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.161  -2.200   1.400  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.252  -2.733   2.051  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.492  -2.760   1.426  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.639  -2.250   0.142  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.555  -1.710  -0.515  1.00  0.00           C  
HETATM   18  O   UNL     1      -6.565  -3.286   2.072  1.00  0.00           O  
HETATM   19  C   UNL     1       0.440   0.091  -0.504  1.00  0.00           C  
HETATM   20  C   UNL     1       0.239  -1.408  -0.062  1.00  0.00           C  
HETATM   21  S   UNL     1       2.128   0.366  -1.110  1.00  0.00           S  
HETATM   22  O   UNL     1      -0.540  -1.100  -2.258  1.00  0.00           O  
HETATM   23  N   UNL     1       3.100  -0.110   0.143  1.00  0.00           N  
HETATM   24  O   UNL     1       2.436  -0.543  -2.158  1.00  0.00           O  
HETATM   25  O   UNL     1       2.388   1.756  -1.247  1.00  0.00           O  
HETATM   26  C   UNL     1       3.381   0.777   1.185  1.00  0.00           C  
HETATM   27  C   UNL     1       3.666  -1.461   0.158  1.00  0.00           C  
HETATM   28  C   UNL     1       3.014   0.459   2.487  1.00  0.00           C  
HETATM   29  C   UNL     1       3.294   1.338   3.515  1.00  0.00           C  
HETATM   30  C   UNL     1       3.938   2.533   3.249  1.00  0.00           C  
HETATM   31  C   UNL     1       4.304   2.852   1.955  1.00  0.00           C  
HETATM   32  C   UNL     1       4.033   1.975   0.923  1.00  0.00           C  
HETATM   33  C   UNL     1       5.073  -1.432  -0.442  1.00  0.00           C  
HETATM   34  F   UNL     1       5.884  -0.578   0.313  1.00  0.00           F  
HETATM   35  F   UNL     1       5.613  -2.722  -0.427  1.00  0.00           F  
HETATM   36  F   UNL     1       5.008  -0.969  -1.760  1.00  0.00           F  
HETATM   37  H   UNL     1      -4.821   3.475  -2.484  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.295   3.106   1.743  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.737   1.237   1.395  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.270   1.603  -2.849  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.438   4.166  -0.060  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.992  -2.936  -1.178  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.449   1.071  -2.340  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.197  -2.180   1.887  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.143  -3.130   3.050  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.605  -2.274  -0.340  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.670  -1.310  -1.512  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.063  -2.644   2.596  1.00  0.00           H  
HETATM   49  H   UNL     1       0.206   0.773   0.313  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.092  -1.467   0.975  1.00  0.00           H  
HETATM   51  H   UNL     1       1.152  -1.984  -0.211  1.00  0.00           H  
HETATM   52  H   UNL     1       3.716  -1.822   1.186  1.00  0.00           H  
HETATM   53  H   UNL     1       3.034  -2.127  -0.430  1.00  0.00           H  
HETATM   54  H   UNL     1       2.511  -0.473   2.694  1.00  0.00           H  
HETATM   55  H   UNL     1       3.009   1.092   4.527  1.00  0.00           H  
HETATM   56  H   UNL     1       4.151   3.220   4.055  1.00  0.00           H  
HETATM   57  H   UNL     1       4.807   3.785   1.751  1.00  0.00           H  
HETATM   58  H   UNL     1       4.319   2.224  -0.088  1.00  0.00           H  
CONECT    1    2    2    6   37                                       
CONECT    2    3    7    1    1                                       
CONECT    3    4    4    2   38                                       
CONECT    4    3    3    5   39                                       
CONECT    5    8    4    6    6                                       
CONECT    6    5    5    1   40                                       
CONECT    7    2   41                                                 
CONECT    8   12    5    9    9                                       
CONECT    9   10    8    8   11                                       
CONECT   10   20   22    9   42                                       
CONECT   11    9   17   17   13                                       
CONECT   12   19   22    8   43                                       
CONECT   13   11   14   14   44                                       
CONECT   14   13   13   15   45                                       
CONECT   15   16   16   14   18                                       
CONECT   16   17   15   15   46                                       
CONECT   17   11   11   16   47                                       
CONECT   18   15   48                                                 
CONECT   19   21   20   12   49                                       
CONECT   20   19   10   50   51                                       
CONECT   21   25   25   24   24                                       
CONECT   21   23   19                                                 
CONECT   22   12   10                                                 
CONECT   23   26   21   27                                            
CONECT   24   21   21                                                 
CONECT   25   21   21                                                 
CONECT   26   32   32   28   23                                       
CONECT   27   23   33   52   53                                       
CONECT   28   29   29   26   54                                       
CONECT   29   30   28   28   55                                       
CONECT   30   31   31   29   56                                       
CONECT   31   30   30   32   57                                       
CONECT   32   31   26   26   58                                       
CONECT   33   35   36   27   34                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
CONECT   37    1                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42   10                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
