COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.808  -2.073  -0.609  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.809  -0.933   0.206  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.970  -0.462   0.743  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.176  -1.113   0.487  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.906   0.221   1.740  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.135   1.453   0.903  1.00  0.00           C  
HETATM    7  O   UNL     1       5.757   2.661  -1.493  1.00  0.00           O  
HETATM    8  O   UNL     1       7.292   3.058   0.407  1.00  0.00           O  
HETATM    9  S   UNL     1       6.066   2.558  -0.109  1.00  0.00           S  
HETATM   10  C   UNL     1       4.670   3.131   0.898  1.00  0.00           C  
HETATM   11  C   UNL     1       4.260   4.599   0.767  1.00  0.00           C  
HETATM   12  C   UNL     1       3.377   3.501   0.169  1.00  0.00           C  
HETATM   13  N   UNL     1       6.137   0.928   0.173  1.00  0.00           N  
HETATM   14  C   UNL     1       5.087   0.102  -0.235  1.00  0.00           C  
HETATM   15  C   UNL     1       4.591  -0.868   0.627  1.00  0.00           C  
HETATM   16  C   UNL     1       3.552  -1.683   0.221  1.00  0.00           C  
HETATM   17  C   UNL     1       3.013  -2.736   1.154  1.00  0.00           C  
HETATM   18  F   UNL     1       3.162  -3.998   0.570  1.00  0.00           F  
HETATM   19  F   UNL     1       3.719  -2.695   2.362  1.00  0.00           F  
HETATM   20  F   UNL     1       1.657  -2.492   1.398  1.00  0.00           F  
HETATM   21  C   UNL     1       4.533   0.253  -1.499  1.00  0.00           C  
HETATM   22  C   UNL     1       3.494  -0.565  -1.899  1.00  0.00           C  
HETATM   23  C   UNL     1       3.006  -1.534  -1.041  1.00  0.00           C  
HETATM   24  C   UNL     1       1.873  -2.425  -1.480  1.00  0.00           C  
HETATM   25  N   UNL     1       0.615  -1.929  -0.917  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.540  -2.573  -1.177  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.538  -3.565  -1.880  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.000  -2.739  -0.878  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.188  -2.260  -0.331  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.587  -2.694  -0.398  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.299  -1.831   0.342  1.00  0.00           C  
HETATM   32  N   UNL     1      -5.473  -0.881   0.877  1.00  0.00           N  
HETATM   33  C   UNL     1      -5.097   2.338   0.677  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.306   3.469  -0.090  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.553   3.717  -0.632  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.593   2.831  -0.406  1.00  0.00           C  
HETATM   37  F   UNL     1      -8.813   3.072  -0.935  1.00  0.00           F  
HETATM   38  C   UNL     1      -7.381   1.696   0.358  1.00  0.00           C  
HETATM   39  H   UNL     1      -0.880  -0.421   0.412  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.956   0.417   1.369  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.136   0.425   2.484  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.833  -0.054   2.243  1.00  0.00           H  
HETATM   43  H   UNL     1       4.579   2.669   1.881  1.00  0.00           H  
HETATM   44  H   UNL     1       3.898   5.103   1.663  1.00  0.00           H  
HETATM   45  H   UNL     1       4.828   5.221   0.075  1.00  0.00           H  
HETATM   46  H   UNL     1       3.365   3.400  -0.916  1.00  0.00           H  
HETATM   47  H   UNL     1       2.435   3.282   0.672  1.00  0.00           H  
HETATM   48  H   UNL     1       6.908   0.547   0.621  1.00  0.00           H  
HETATM   49  H   UNL     1       5.017  -0.986   1.612  1.00  0.00           H  
HETATM   50  H   UNL     1       4.914   1.010  -2.169  1.00  0.00           H  
HETATM   51  H   UNL     1       3.063  -0.448  -2.882  1.00  0.00           H  
HETATM   52  H   UNL     1       1.810  -2.422  -2.569  1.00  0.00           H  
HETATM   53  H   UNL     1       2.053  -3.441  -1.130  1.00  0.00           H  
HETATM   54  H   UNL     1       0.613  -1.138  -0.356  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.004  -3.617  -1.506  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.970  -3.546  -0.941  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.368  -1.879   0.492  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.122   2.145   1.100  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.494   4.160  -0.265  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.716   4.600  -1.230  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.191   1.002   0.531  1.00  0.00           H  
CONECT    1    2   26   28   28                                       
CONECT    2    3    3    1   39                                       
CONECT    3    2    2    4   40                                       
CONECT    4    3   32   29   29                                       
CONECT    5    6   32   41   42                                       
CONECT    6   33    5   38   38                                       
CONECT    7    9    9                                                 
CONECT    8    9    9                                                 
CONECT    9   10   13    7    7                                       
CONECT    9    8    8                                                 
CONECT   10   12   11    9   43                                       
CONECT   11   12   10   44   45                                       
CONECT   12   11   10   46   47                                       
CONECT   13   14    9   48                                            
CONECT   14   15   13   21   21                                       
CONECT   15   16   16   14   49                                       
CONECT   16   17   15   15   23                                       
CONECT   17   18   20   16   19                                       
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20   17                                                      
CONECT   21   14   14   22   50                                       
CONECT   22   23   23   21   51                                       
CONECT   23   16   24   22   22                                       
CONECT   24   23   25   52   53                                       
CONECT   25   26   24   54                                            
CONECT   26   27   27    1   25                                       
CONECT   27   26   26                                                 
CONECT   28    1    1   29   55                                       
CONECT   29    4    4   28   30                                       
CONECT   30   29   31   31   56                                       
CONECT   31   32   30   30   57                                       
CONECT   32    5    4   31                                            
CONECT   33   34   34    6   58                                       
CONECT   34   33   33   35   59                                       
CONECT   35   34   36   36   60                                       
CONECT   36   35   35   38   37                                       
CONECT   37   36                                                      
CONECT   38    6    6   36   61                                       
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   15                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   28                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   33                                                      
CONECT   59   34                                                      
CONECT   60   35                                                      
CONECT   61   38                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
