COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       2.480   5.177   0.129  1.00  0.00           S  
HETATM    2  C   UNL     1       0.785   1.589  -0.629  1.00  0.00           C  
HETATM    3  C   UNL     1       1.895   1.258   0.403  1.00  0.00           C  
HETATM    4  N   UNL     1       2.042   3.596  -0.101  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.539   1.016  -0.191  1.00  0.00           C  
HETATM    6  N   UNL     1      -6.425  -1.294   0.432  1.00  0.00           N  
HETATM    7  C   UNL     1       2.536  -0.071   0.099  1.00  0.00           C  
HETATM    8  C   UNL     1       0.744   3.132  -0.611  1.00  0.00           C  
HETATM    9  C   UNL     1       2.891   2.422   0.173  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.882  -2.320  -0.312  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.221  -0.668   0.083  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.635   1.194  -0.954  1.00  0.00           N  
HETATM   13  C   UNL     1      -5.235   0.458  -0.731  1.00  0.00           C  
HETATM   14  N   UNL     1       3.527  -0.536   0.885  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.840   0.568  -0.606  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.048   1.075  -1.075  1.00  0.00           C  
HETATM   17  C   UNL     1       6.212  -3.016   0.458  1.00  0.00           C  
HETATM   18  C   UNL     1       5.555  -1.847   0.795  1.00  0.00           C  
HETATM   19  O   UNL     1       3.896   5.169   0.017  1.00  0.00           O  
HETATM   20  O   UNL     1       1.676   5.900  -0.794  1.00  0.00           O  
HETATM   21  C   UNL     1      -7.121  -0.857   1.514  1.00  0.00           C  
HETATM   22  C   UNL     1       4.195  -1.720   0.544  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.617   0.395   0.847  1.00  0.00           O  
HETATM   24  O   UNL     1       2.162  -0.721  -0.854  1.00  0.00           O  
HETATM   25  C   UNL     1      -8.087  -2.954   0.031  1.00  0.00           C  
HETATM   26  C   UNL     1       5.512  -4.061  -0.132  1.00  0.00           C  
HETATM   27  O   UNL     1      -6.248  -2.699  -1.284  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.016  -1.170   0.554  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.829  -0.553   0.211  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.289  -1.442   1.867  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.785  -2.520   1.120  1.00  0.00           C  
HETATM   32  C   UNL     1       4.155  -3.933  -0.382  1.00  0.00           C  
HETATM   33  C   UNL     1       1.978   5.543   1.833  1.00  0.00           C  
HETATM   34  F   UNL     1      -4.060   2.170  -1.866  1.00  0.00           F  
HETATM   35  F   UNL     1       7.536  -3.139   0.697  1.00  0.00           F  
HETATM   36  C   UNL     1       3.497  -2.766  -0.045  1.00  0.00           C  
HETATM   37  O   UNL     1       6.159  -5.211  -0.463  1.00  0.00           O  
HETATM   38  C   UNL     1       5.378  -6.244  -1.066  1.00  0.00           C  
HETATM   39  H   UNL     1       2.499   4.873   2.517  1.00  0.00           H  
HETATM   40  H   UNL     1       2.231   6.576   2.073  1.00  0.00           H  
HETATM   41  H   UNL     1       0.902   5.400   1.934  1.00  0.00           H  
HETATM   42  H   UNL     1       1.055   1.220  -1.618  1.00  0.00           H  
HETATM   43  H   UNL     1       1.501   1.276   1.419  1.00  0.00           H  
HETATM   44  H   UNL     1       0.586   3.511  -1.620  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.056   3.474   0.046  1.00  0.00           H  
HETATM   46  H   UNL     1       3.493   2.589   1.066  1.00  0.00           H  
HETATM   47  H   UNL     1       3.531   2.209  -0.683  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.591   1.755  -1.745  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.739  -0.033   2.098  1.00  0.00           H  
HETATM   50  H   UNL     1       3.778  -0.052   1.688  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.458  -3.777  -0.562  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.173   0.850  -1.094  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.006  -2.043   1.190  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.891  -0.947   0.575  1.00  0.00           H  
HETATM   55  H   UNL     1       6.098  -1.034   1.253  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.834  -1.086   2.729  1.00  0.00           H  
HETATM   57  H   UNL     1       2.439  -2.666  -0.240  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.714  -2.995   1.398  1.00  0.00           H  
HETATM   59  H   UNL     1       3.612  -4.746  -0.840  1.00  0.00           H  
HETATM   60  H   UNL     1       4.582  -6.542  -0.384  1.00  0.00           H  
HETATM   61  H   UNL     1       4.942  -5.875  -1.995  1.00  0.00           H  
HETATM   62  H   UNL     1       6.014  -7.103  -1.280  1.00  0.00           H  
CONECT    1    4   19   19   20                                       
CONECT    1   20   33                                                 
CONECT    2    3    5    8   42                                       
CONECT    3    2    7    9   43                                       
CONECT    4    1    8    9                                            
CONECT    5    2   12   23   23                                       
CONECT    6   10   11   21                                            
CONECT    7    3   14   24   24                                       
CONECT    8    2    4   44   45                                       
CONECT    9    3    4   46   47                                       
CONECT   10    6   25   27   27                                       
CONECT   11    6   13   28   28                                       
CONECT   12    5   15   48                                            
CONECT   13   11   16   16   52                                       
CONECT   14    7   22   50                                            
CONECT   15   12   16   29   29                                       
CONECT   16   13   13   15   34                                       
CONECT   17   18   18   26   35                                       
CONECT   18   17   17   22   55                                       
CONECT   19    1    1                                                 
CONECT   20    1    1                                                 
CONECT   21    6   30   30   49                                       
CONECT   22   14   18   36   36                                       
CONECT   23    5    5                                                 
CONECT   24    7    7                                                 
CONECT   25   10   31   31   51                                       
CONECT   26   17   32   32   37                                       
CONECT   27   10   10                                                 
CONECT   28   11   11   29   53                                       
CONECT   29   15   15   28   54                                       
CONECT   30   21   21   31   56                                       
CONECT   31   25   25   30   58                                       
CONECT   32   26   26   36   59                                       
CONECT   33    1   39   40   41                                       
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   22   22   32   57                                       
CONECT   37   26   38                                                 
CONECT   38   37   60   61   62                                       
CONECT   39   33                                                      
CONECT   40   33                                                      
CONECT   41   33                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   12                                                      
CONECT   49   21                                                      
CONECT   50   14                                                      
CONECT   51   25                                                      
CONECT   52   13                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   18                                                      
CONECT   56   30                                                      
CONECT   57   36                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   38                                                      
CONECT   61   38                                                      
CONECT   62   38                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
