COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.720   0.401  -2.464  1.00  0.00           C  
HETATM    2  C   UNL     1       4.866   2.549  -0.148  1.00  0.00           C  
HETATM    3  C   UNL     1       4.370   0.691  -1.804  1.00  0.00           C  
HETATM    4  O   UNL     1       4.786  -1.227   0.252  1.00  0.00           O  
HETATM    5  O   UNL     1       5.274   0.603   1.883  1.00  0.00           O  
HETATM    6  N   UNL     1       4.586   1.138  -0.426  1.00  0.00           N  
HETATM    7  S   UNL     1       4.514   0.048   0.819  1.00  0.00           S  
HETATM    8  N   UNL     1      -0.703  -4.606   0.122  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.876  -3.872   0.100  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.809  -2.551   0.043  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.921  -1.815   0.021  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.846  -0.345  -0.043  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.702   0.403  -0.190  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.351  -0.194  -0.306  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.086  -1.139  -1.298  1.00  0.00           C  
HETATM   16  C   UNL     1       1.173  -1.693  -1.405  1.00  0.00           C  
HETATM   17  C   UNL     1       2.177  -1.316  -0.532  1.00  0.00           C  
HETATM   18  C   UNL     1       1.924  -0.376   0.460  1.00  0.00           C  
HETATM   19  N   UNL     1       2.943   0.002   1.340  1.00  0.00           N  
HETATM   20  C   UNL     1       0.662   0.191   0.572  1.00  0.00           C  
HETATM   21  F   UNL     1       0.415   1.110   1.532  1.00  0.00           F  
HETATM   22  N   UNL     1      -1.923   1.705  -0.216  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.145   2.102  -0.106  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.579   3.545  -0.117  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.100   3.620   0.037  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.911   4.287   1.042  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.168   4.191  -1.441  1.00  0.00           C  
HETATM   28  S   UNL     1      -4.206   0.771   0.047  1.00  0.00           S  
HETATM   29  C   UNL     1      -4.164  -2.464   0.058  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.183  -3.844   0.118  1.00  0.00           C  
HETATM   31  N   UNL     1      -3.038  -4.509   0.131  1.00  0.00           N  
HETATM   32  H   UNL     1       5.559   0.069  -3.490  1.00  0.00           H  
HETATM   33  H   UNL     1       6.325   1.308  -2.467  1.00  0.00           H  
HETATM   34  H   UNL     1       6.237  -0.380  -1.906  1.00  0.00           H  
HETATM   35  H   UNL     1       3.929   3.079   0.020  1.00  0.00           H  
HETATM   36  H   UNL     1       5.492   2.627   0.740  1.00  0.00           H  
HETATM   37  H   UNL     1       5.385   2.990  -0.999  1.00  0.00           H  
HETATM   38  H   UNL     1       3.853   1.471  -2.362  1.00  0.00           H  
HETATM   39  H   UNL     1       3.765  -0.216  -1.802  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.737  -5.575   0.085  1.00  0.00           H  
HETATM   41  H   UNL     1       0.152  -4.153   0.174  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.867  -1.436  -1.982  1.00  0.00           H  
HETATM   43  H   UNL     1       1.375  -2.424  -2.174  1.00  0.00           H  
HETATM   44  H   UNL     1       3.160  -1.754  -0.620  1.00  0.00           H  
HETATM   45  H   UNL     1       2.729   0.238   2.257  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.575   3.091  -0.789  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.393   3.160   0.980  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.414   4.664   0.029  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.226   5.331   1.034  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.205   3.827   1.986  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.828   4.233   0.933  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.643   3.662  -2.267  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.482   5.234  -1.449  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.085   4.137  -1.551  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.083  -1.898   0.042  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.123  -4.375   0.148  1.00  0.00           H  
CONECT    1    3   32   33   34                                       
CONECT    2    6   35   36   37                                       
CONECT    3    6    1   38   39                                       
CONECT    4    7    7                                                 
CONECT    5    7    7                                                 
CONECT    6    7    2    3                                            
CONECT    7    5    5    4    4                                       
CONECT    7   19    6                                                 
CONECT    8    9   40   41                                            
CONECT    9   10    8   31   31                                       
CONECT   10   11   11    9                                            
CONECT   11   12   10   10   29                                       
CONECT   12   28   13   13   11                                       
CONECT   13   22   12   12   14                                       
CONECT   14   13   15   15   20                                       
CONECT   15   14   14   16   42                                       
CONECT   16   15   17   17   43                                       
CONECT   17   16   16   18   44                                       
CONECT   18   20   20   17   19                                       
CONECT   19    7   18   45                                            
CONECT   20   14   21   18   18                                       
CONECT   21   20                                                      
CONECT   22   23   23   13                                            
CONECT   23   24   22   22   28                                       
CONECT   24   25   26   27   23                                       
CONECT   25   24   46   47   48                                       
CONECT   26   24   49   50   51                                       
CONECT   27   24   52   53   54                                       
CONECT   28   23   12                                                 
CONECT   29   11   30   30   55                                       
CONECT   30   29   29   31   56                                       
CONECT   31    9    9   30                                            
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
