COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.779   0.780  -0.795  1.00  0.00           C  
HETATM    2  C   UNL     1      12.908   1.702  -0.326  1.00  0.00           C  
HETATM    3  O   UNL     1      13.228   1.401   1.035  1.00  0.00           O  
HETATM    4  C   UNL     1      12.124   1.547   1.932  1.00  0.00           C  
HETATM    5  C   UNL     1      10.987   0.623   1.486  1.00  0.00           C  
HETATM    6  N   UNL     1      10.621   0.939   0.097  1.00  0.00           N  
HETATM    7  C   UNL     1       9.493   0.113  -0.351  1.00  0.00           C  
HETATM    8  C   UNL     1       8.239   0.487   0.442  1.00  0.00           C  
HETATM    9  N   UNL     1       7.114  -0.338  -0.006  1.00  0.00           N  
HETATM   10  C   UNL     1       5.899  -0.182   0.556  1.00  0.00           C  
HETATM   11  O   UNL     1       5.737   0.643   1.434  1.00  0.00           O  
HETATM   12  C   UNL     1       4.764  -1.014   0.104  1.00  0.00           C  
HETATM   13  C   UNL     1       3.504  -0.856   0.684  1.00  0.00           C  
HETATM   14  C   UNL     1       2.454  -1.654   0.238  1.00  0.00           C  
HETATM   15  C   UNL     1       1.106  -1.546   0.827  1.00  0.00           C  
HETATM   16  O   UNL     1       0.950  -1.797   2.006  1.00  0.00           O  
HETATM   17  C   UNL     1       4.945  -1.959  -0.909  1.00  0.00           C  
HETATM   18  C   UNL     1       3.889  -2.738  -1.339  1.00  0.00           C  
HETATM   19  C   UNL     1       2.638  -2.583  -0.762  1.00  0.00           C  
HETATM   20  C   UNL     1       1.486  -3.414  -1.236  1.00  0.00           C  
HETATM   21  C   UNL     1       0.480  -2.635  -2.039  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.305  -1.611  -1.260  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.406  -1.113  -1.936  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.054  -1.141   0.020  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.930  -0.213   0.618  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.016   0.257  -0.055  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.258  -0.189  -1.353  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.352   0.292  -2.062  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.269   1.146  -1.438  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.514   0.668  -1.055  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.931   2.474  -1.197  1.00  0.00           C  
HETATM   32  F   UNL     1      -2.717   2.939  -1.565  1.00  0.00           F  
HETATM   33  C   UNL     1      -4.837   3.318  -0.581  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.081   2.845  -0.203  1.00  0.00           C  
HETATM   35  F   UNL     1      -6.964   3.671   0.398  1.00  0.00           F  
HETATM   36  C   UNL     1      -6.421   1.517  -0.437  1.00  0.00           C  
HETATM   37  N   UNL     1      -7.678   1.037  -0.050  1.00  0.00           N  
HETATM   38  C   UNL     1      -7.810  -0.231   0.389  1.00  0.00           C  
HETATM   39  O   UNL     1      -6.853  -0.983   0.372  1.00  0.00           O  
HETATM   40  C   UNL     1      -9.105  -0.704   0.885  1.00  0.00           C  
HETATM   41  S   UNL     1     -10.578   0.253   0.965  1.00  0.00           S  
HETATM   42  C   UNL     1     -11.450  -1.059   1.620  1.00  0.00           C  
HETATM   43  C   UNL     1     -10.665  -2.133   1.760  1.00  0.00           C  
HETATM   44  C   UNL     1      -9.363  -1.961   1.354  1.00  0.00           C  
HETATM   45  H   UNL     1      11.493   1.044  -1.813  1.00  0.00           H  
HETATM   46  H   UNL     1      12.119  -0.255  -0.768  1.00  0.00           H  
HETATM   47  H   UNL     1      13.788   1.546  -0.950  1.00  0.00           H  
HETATM   48  H   UNL     1      12.586   2.740  -0.404  1.00  0.00           H  
HETATM   49  H   UNL     1      12.436   1.278   2.941  1.00  0.00           H  
HETATM   50  H   UNL     1      11.779   2.581   1.921  1.00  0.00           H  
HETATM   51  H   UNL     1      11.314  -0.414   1.549  1.00  0.00           H  
HETATM   52  H   UNL     1      10.122   0.772   2.133  1.00  0.00           H  
HETATM   53  H   UNL     1       9.316   0.285  -1.413  1.00  0.00           H  
HETATM   54  H   UNL     1       9.726  -0.940  -0.188  1.00  0.00           H  
HETATM   55  H   UNL     1       8.416   0.315   1.503  1.00  0.00           H  
HETATM   56  H   UNL     1       8.007   1.539   0.278  1.00  0.00           H  
HETATM   57  H   UNL     1       7.244  -0.996  -0.706  1.00  0.00           H  
HETATM   58  H   UNL     1       3.346  -0.126   1.465  1.00  0.00           H  
HETATM   59  H   UNL     1       5.919  -2.081  -1.359  1.00  0.00           H  
HETATM   60  H   UNL     1       4.037  -3.466  -2.124  1.00  0.00           H  
HETATM   61  H   UNL     1       1.871  -4.227  -1.852  1.00  0.00           H  
HETATM   62  H   UNL     1       0.984  -3.843  -0.369  1.00  0.00           H  
HETATM   63  H   UNL     1       1.007  -2.123  -2.845  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.224  -3.338  -2.484  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.605  -1.453  -2.941  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.737   0.130   1.623  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.684   0.966   0.412  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.480   0.036  -2.988  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.776  -0.364  -1.238  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.573   4.349  -0.394  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.454   1.616  -0.098  1.00  0.00           H  
HETATM   72  H   UNL     1     -12.496  -1.026   1.887  1.00  0.00           H  
HETATM   73  H   UNL     1     -11.029  -3.069   2.160  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.618  -2.741   1.404  1.00  0.00           H  
CONECT    1    6    2   45   46                                       
CONECT    2    1    3   47   48                                       
CONECT    3    2    4                                                 
CONECT    4    5    3   49   50                                       
CONECT    5    6    4   51   52                                       
CONECT    6    1    7    5                                            
CONECT    7    6    8   53   54                                       
CONECT    8    7    9   55   56                                       
CONECT    9    8   10   57                                            
CONECT   10   11   11    9   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   13   17                                       
CONECT   13   12   12   14   58                                       
CONECT   14   13   15   19   19                                       
CONECT   15   16   16   14   24                                       
CONECT   16   15   15                                                 
CONECT   17   12   18   18   59                                       
CONECT   18   17   17   19   60                                       
CONECT   19   14   14   18   20                                       
CONECT   20   19   21   61   62                                       
CONECT   21   20   22   63   64                                       
CONECT   22   24   21   23   23                                       
CONECT   23   22   22   27   65                                       
CONECT   24   15   25   25   22                                       
CONECT   25   24   24   26   66                                       
CONECT   26   25   27   27   67                                       
CONECT   27   26   26   23   28                                       
CONECT   28   27   29   68                                            
CONECT   29   31   28   30   30                                       
CONECT   30   29   29   36   69                                       
CONECT   31   32   33   33   29                                       
CONECT   32   31                                                      
CONECT   33   31   31   34   70                                       
CONECT   34   33   35   36   36                                       
CONECT   35   34                                                      
CONECT   36   34   34   30   37                                       
CONECT   37   36   38   71                                            
CONECT   38   39   39   37   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   41   44   44                                       
CONECT   41   40   42                                                 
CONECT   42   41   43   43   72                                       
CONECT   43   42   42   44   73                                       
CONECT   44   40   40   43   74                                       
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   13                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   23                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   28                                                      
CONECT   69   30                                                      
CONECT   70   33                                                      
CONECT   71   37                                                      
CONECT   72   42                                                      
CONECT   73   43                                                      
CONECT   74   44                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
