COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.906   0.344  -1.064  1.00  0.00           C  
HETATM    2  C   UNL     1       4.397   4.430  -0.786  1.00  0.00           C  
HETATM    3  C   UNL     1       3.372   3.331  -0.970  1.00  0.00           C  
HETATM    4  O   UNL     1       5.435   2.613   1.860  1.00  0.00           O  
HETATM    5  C   UNL     1      -5.236   0.473   0.627  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.489   0.336  -0.200  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.569  -0.306  -2.238  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.788   0.086  -1.718  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.859   0.609  -0.440  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.709   0.734   0.320  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.893   0.051   0.461  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.503  -0.420   0.496  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.345  -1.770   1.199  1.00  0.00           C  
HETATM   14  C   UNL     1       0.907  -1.745   2.077  1.00  0.00           C  
HETATM   15  C   UNL     1       0.711  -0.741   3.215  1.00  0.00           C  
HETATM   16  C   UNL     1       1.148  -3.138   2.662  1.00  0.00           C  
HETATM   17  C   UNL     1       0.608  -0.243  -0.507  1.00  0.00           C  
HETATM   18  C   UNL     1       4.097   0.988  -0.351  1.00  0.00           C  
HETATM   19  C   UNL     1       3.687   2.360   0.188  1.00  0.00           C  
HETATM   20  C   UNL     1       4.853   3.034   0.882  1.00  0.00           C  
HETATM   21  C   UNL     1       3.358  -0.952  -1.741  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.419  -0.181  -1.480  1.00  0.00           C  
HETATM   23  F   UNL     1      -7.777   1.245   1.569  1.00  0.00           F  
HETATM   24  N   UNL     1      -1.795  -0.375  -0.193  1.00  0.00           N  
HETATM   25  N   UNL     1       1.856   0.044  -0.088  1.00  0.00           N  
HETATM   26  N   UNL     1       5.142   4.169   0.230  1.00  0.00           N  
HETATM   27  O   UNL     1      -2.796   0.484   1.593  1.00  0.00           O  
HETATM   28  O   UNL     1       4.460  -0.677  -2.608  1.00  0.00           O  
HETATM   29  O   UNL     1       0.379  -0.360  -1.693  1.00  0.00           O  
HETATM   30  O   UNL     1      -4.097  -0.003  -0.138  1.00  0.00           O  
HETATM   31  H   UNL     1       2.518   1.031  -1.816  1.00  0.00           H  
HETATM   32  H   UNL     1       4.491   5.302  -1.417  1.00  0.00           H  
HETATM   33  H   UNL     1       2.362   3.728  -0.875  1.00  0.00           H  
HETATM   34  H   UNL     1       3.503   2.840  -1.934  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.086   1.521   0.888  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.335  -0.118   1.537  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.513  -0.710  -3.238  1.00  0.00           H  
HETATM   38  H   UNL     1      -9.684  -0.012  -2.312  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.811   0.915  -0.034  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.456   0.382   1.234  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.221  -1.960   1.819  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.250  -2.559   0.452  1.00  0.00           H  
HETATM   43  H   UNL     1       1.767  -1.449   1.476  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.106  -1.073   3.856  1.00  0.00           H  
HETATM   45  H   UNL     1       1.628  -0.673   3.802  1.00  0.00           H  
HETATM   46  H   UNL     1       0.472   0.238   2.800  1.00  0.00           H  
HETATM   47  H   UNL     1       1.287  -3.853   1.851  1.00  0.00           H  
HETATM   48  H   UNL     1       2.040  -3.120   3.288  1.00  0.00           H  
HETATM   49  H   UNL     1       0.288  -3.433   3.263  1.00  0.00           H  
HETATM   50  H   UNL     1       4.412   0.352   0.476  1.00  0.00           H  
HETATM   51  H   UNL     1       4.922   1.105  -1.054  1.00  0.00           H  
HETATM   52  H   UNL     1       2.833   2.270   0.860  1.00  0.00           H  
HETATM   53  H   UNL     1       2.533  -1.365  -2.323  1.00  0.00           H  
HETATM   54  S   UNL     1       3.865  -2.150  -0.477  1.00  0.00           S  
HETATM   55  H   UNL     1      -5.467  -0.487  -1.887  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.860  -0.653  -1.120  1.00  0.00           H  
HETATM   57  H   UNL     1       2.059   0.052   0.861  1.00  0.00           H  
HETATM   58  H   UNL     1       5.232  -0.307  -2.157  1.00  0.00           H  
HETATM   59  O   UNL     1       4.991  -1.667   0.244  1.00  0.00           O  
HETATM   60  O   UNL     1       2.730  -2.672   0.200  1.00  0.00           O  
HETATM   61  O   UNL     1       4.406  -3.332  -1.270  1.00  0.00           O  
HETATM   62  H   UNL     1       4.720  -4.063  -0.720  1.00  0.00           H  
CONECT    1   18   25   21   31                                       
CONECT    2   26   26    3   32                                       
CONECT    3   19    2   33   34                                       
CONECT    4   20   20                                                 
CONECT    5    6   30   35   36                                       
CONECT    6   10    5   22   22                                       
CONECT    7    8    8   22   37                                       
CONECT    8    9    7    7   38                                       
CONECT    9   10   10    8   39                                       
CONECT   10   23    9    9    6                                       
CONECT   11   27   27   30   24                                       
CONECT   12   24   17   13   40                                       
CONECT   13   12   14   41   42                                       
CONECT   14   15   13   16   43                                       
CONECT   15   14   44   45   46                                       
CONECT   16   14   47   48   49                                       
CONECT   17   12   25   29   29                                       
CONECT   18   19    1   50   51                                       
CONECT   19   20   18    3   52                                       
CONECT   20    4    4   26   19                                       
CONECT   21    1   28   53   54                                       
CONECT   22    6    6    7   55                                       
CONECT   23   10                                                      
CONECT   24   11   12   56                                            
CONECT   25   17    1   57                                            
CONECT   26   20    2    2                                            
CONECT   27   11   11                                                 
CONECT   28   21   58                                                 
CONECT   29   17   17                                                 
CONECT   30    5   11                                                 
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   21                                                      
CONECT   54   21   59   59   60                                       
CONECT   54   60   61                                                 
CONECT   55   22                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   28                                                      
CONECT   59   54   54                                                 
CONECT   60   54   54                                                 
CONECT   61   54   62                                                 
CONECT   62   61                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
