COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.333  -3.488  -0.295  1.00  0.00           C  
HETATM    2  C   UNL     1       2.220  -2.210   0.071  1.00  0.00           C  
HETATM    3  N   UNL     1       0.944  -2.314  -0.305  1.00  0.00           N  
HETATM    4  C   UNL     1       2.903  -3.364   0.479  1.00  0.00           C  
HETATM    5  N   UNL     1       0.955  -4.593   0.090  1.00  0.00           N  
HETATM    6  C   UNL     1       2.222  -4.566   0.477  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.991  -3.562  -0.691  1.00  0.00           N  
HETATM    8  C   UNL     1       2.900  -0.902   0.059  1.00  0.00           C  
HETATM    9  S   UNL     1       4.526  -0.570   0.650  1.00  0.00           S  
HETATM   10  C   UNL     1       4.364   1.075   0.218  1.00  0.00           C  
HETATM   11  N   UNL     1       3.208   1.301  -0.306  1.00  0.00           N  
HETATM   12  C   UNL     1       2.382   0.277  -0.422  1.00  0.00           C  
HETATM   13  C   UNL     1       5.430   2.121   0.421  1.00  0.00           C  
HETATM   14  C   UNL     1       6.659   1.478   1.067  1.00  0.00           C  
HETATM   15  C   UNL     1       5.820   2.722  -0.931  1.00  0.00           C  
HETATM   16  C   UNL     1       4.893   3.225   1.334  1.00  0.00           C  
HETATM   17  C   UNL     1       1.027   0.389  -1.010  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.172   1.367  -1.016  1.00  0.00           C  
HETATM   19  C   UNL     1       0.096   1.268  -0.459  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.508   0.592  -2.119  1.00  0.00           C  
HETATM   21  C   UNL     1       0.681  -0.381  -2.121  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.582  -0.275  -2.668  1.00  0.00           C  
HETATM   23  F   UNL     1       0.426   2.021   0.613  1.00  0.00           F  
HETATM   24  N   UNL     1      -2.111   2.247  -0.468  1.00  0.00           N  
HETATM   25  S   UNL     1      -3.714   1.834  -0.437  1.00  0.00           S  
HETATM   26  C   UNL     1      -3.853   0.352   0.506  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.166  -0.748   2.613  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.056   0.418   1.873  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.073  -1.976   1.986  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.766  -0.878  -0.122  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.875  -2.043   0.620  1.00  0.00           C  
HETATM   32  F   UNL     1      -3.573  -0.944  -1.457  1.00  0.00           F  
HETATM   33  F   UNL     1      -4.147   1.618   2.486  1.00  0.00           F  
HETATM   34  O   UNL     1      -4.376   2.847   0.308  1.00  0.00           O  
HETATM   35  O   UNL     1      -4.067   1.496  -1.771  1.00  0.00           O  
HETATM   36  H   UNL     1       3.936  -3.314   0.789  1.00  0.00           H  
HETATM   37  H   UNL     1       2.717  -5.473   0.789  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.480  -2.752  -0.902  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.429  -4.425  -0.758  1.00  0.00           H  
HETATM   40  H   UNL     1       7.041   0.691   0.417  1.00  0.00           H  
HETATM   41  H   UNL     1       7.429   2.235   1.215  1.00  0.00           H  
HETATM   42  H   UNL     1       6.380   1.050   2.031  1.00  0.00           H  
HETATM   43  H   UNL     1       4.944   3.180  -1.391  1.00  0.00           H  
HETATM   44  H   UNL     1       6.591   3.478  -0.783  1.00  0.00           H  
HETATM   45  H   UNL     1       6.203   1.935  -1.581  1.00  0.00           H  
HETATM   46  H   UNL     1       4.615   2.797   2.297  1.00  0.00           H  
HETATM   47  H   UNL     1       5.663   3.982   1.481  1.00  0.00           H  
HETATM   48  H   UNL     1       4.017   3.683   0.873  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.495   0.670  -2.551  1.00  0.00           H  
HETATM   50  H   UNL     1       1.401  -1.060  -2.553  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.849  -0.876  -3.525  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.823   3.100  -0.105  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.324  -0.697   3.680  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.158  -2.884   2.564  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.803  -3.003   0.131  1.00  0.00           H  
CONECT    1    5    7    3    3                                       
CONECT    2    4    4    3    8                                       
CONECT    3    1    1    2                                            
CONECT    4    6    2    2   36                                       
CONECT    5    6    6    1                                            
CONECT    6    5    5    4   37                                       
CONECT    7    1   38   39                                            
CONECT    8    2   12   12    9                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   11   13                                       
CONECT   11   12   10   10                                            
CONECT   12   17    8    8   11                                       
CONECT   13   10   16   14   15                                       
CONECT   14   13   40   41   42                                       
CONECT   15   13   43   44   45                                       
CONECT   16   13   46   47   48                                       
CONECT   17   21   21   19   12                                       
CONECT   18   20   24   19   19                                       
CONECT   19   18   18   17   23                                       
CONECT   20   22   22   18   49                                       
CONECT   21   22   17   17   50                                       
CONECT   22   20   20   21   51                                       
CONECT   23   19                                                      
CONECT   24   25   18   52                                            
CONECT   25   26   35   35   24                                       
CONECT   25   34   34                                                 
CONECT   26   30   30   28   25                                       
CONECT   27   29   28   28   53                                       
CONECT   28   27   27   26   33                                       
CONECT   29   31   31   27   54                                       
CONECT   30   31   32   26   26                                       
CONECT   31   29   29   30   55                                       
CONECT   32   30                                                      
CONECT   33   28                                                      
CONECT   34   25   25                                                 
CONECT   35   25   25                                                 
CONECT   36    4                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   24                                                      
CONECT   53   27                                                      
CONECT   54   29                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
