COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.498   3.179  -2.802  1.00  0.00           C  
HETATM    2  C   UNL     1       3.575   1.935  -0.921  1.00  0.00           C  
HETATM    3  C   UNL     1       3.078   0.694  -0.317  1.00  0.00           C  
HETATM    4  C   UNL     1       3.813  -0.256   0.372  1.00  0.00           C  
HETATM    5  C   UNL     1       1.724  -1.021   0.385  1.00  0.00           C  
HETATM    6  C   UNL     1       0.548  -1.740   0.555  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.515  -0.640   1.329  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.909   1.707   1.604  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.197   1.549   1.094  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.701   4.076   1.361  1.00  0.00           O  
HETATM   11  C   UNL     1      -5.638   0.281   0.707  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.791  -0.806   0.822  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.578  -4.597  -0.564  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.672  -0.039  -0.644  1.00  0.00           C  
HETATM   15  C   UNL     1       0.488   0.683  -0.823  1.00  0.00           C  
HETATM   16  C   UNL     1       1.688   0.198  -0.311  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.974   0.480  -1.200  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.056   0.708  -2.710  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.986   1.904  -1.757  1.00  0.00           C  
HETATM   20  C   UNL     1       5.263  -0.190   0.632  1.00  0.00           C  
HETATM   21  C   UNL     1       5.897  -1.213   1.342  1.00  0.00           C  
HETATM   22  C   UNL     1       7.252  -1.146   1.581  1.00  0.00           C  
HETATM   23  C   UNL     1       7.988  -0.065   1.119  1.00  0.00           C  
HETATM   24  F   UNL     1       9.316  -0.004   1.356  1.00  0.00           F  
HETATM   25  C   UNL     1       7.365   0.953   0.413  1.00  0.00           C  
HETATM   26  C   UNL     1       6.011   0.894   0.162  1.00  0.00           C  
HETATM   27  O   UNL     1       2.998  -1.247   0.769  1.00  0.00           O  
HETATM   28  O   UNL     1       3.603   2.961  -0.267  1.00  0.00           O  
HETATM   29  N   UNL     1       4.002   1.939  -2.199  1.00  0.00           N  
HETATM   30  C   UNL     1      -0.642  -1.252   0.039  1.00  0.00           C  
HETATM   31  N   UNL     1      -1.823  -1.978   0.216  1.00  0.00           N  
HETATM   32  S   UNL     1      -2.349  -3.006  -0.970  1.00  0.00           S  
HETATM   33  O   UNL     1      -1.794  -2.474  -2.166  1.00  0.00           O  
HETATM   34  O   UNL     1      -3.755  -3.071  -0.781  1.00  0.00           O  
HETATM   35  C   UNL     1      -2.596  -1.829   1.452  1.00  0.00           C  
HETATM   36  F   UNL     1      -6.885   0.119   0.212  1.00  0.00           F  
HETATM   37  B   UNL     1      -6.150   2.789   0.961  1.00  0.00           B  
HETATM   38  O   UNL     1      -7.461   2.625   0.442  1.00  0.00           O  
HETATM   39  C   UNL     1      -3.076   0.614   1.718  1.00  0.00           C  
HETATM   40  H   UNL     1       4.796   2.987  -3.833  1.00  0.00           H  
HETATM   41  H   UNL     1       3.711   3.932  -2.785  1.00  0.00           H  
HETATM   42  H   UNL     1       5.358   3.539  -2.237  1.00  0.00           H  
HETATM   43  H   UNL     1       0.561  -2.679   1.088  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.562   2.684   1.905  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.357   4.776   1.242  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.126  -1.786   0.516  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.783  -4.845   0.477  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.987  -5.374  -1.210  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.501  -4.529  -0.716  1.00  0.00           H  
HETATM   50  H   UNL     1       0.466   1.620  -1.358  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.874   0.129  -0.694  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.169   0.484  -3.302  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.010   0.508  -3.198  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.894   2.491  -1.619  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.053   2.467  -1.723  1.00  0.00           H  
HETATM   56  H   UNL     1       5.325  -2.055   1.703  1.00  0.00           H  
HETATM   57  H   UNL     1       7.743  -1.936   2.130  1.00  0.00           H  
HETATM   58  H   UNL     1       7.943   1.793   0.056  1.00  0.00           H  
HETATM   59  H   UNL     1       5.527   1.688  -0.387  1.00  0.00           H  
HETATM   60  H   UNL     1       3.980   1.121  -2.720  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.916  -1.677   2.290  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.187  -2.729   1.621  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.973   3.445   0.398  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.078   0.736   2.113  1.00  0.00           H  
CONECT    1   29   40   41   42                                       
CONECT    2   29   28   28    3                                       
CONECT    3    2   16    4    4                                       
CONECT    4    3    3   20   27                                       
CONECT    5   16   27    6    6                                       
CONECT    6    5    5   30   43                                       
CONECT    7   39   39   12   35                                       
CONECT    8    9    9   39   44                                       
CONECT    9   37    8    8   11                                       
CONECT   10   37   45                                                 
CONECT   11    9   36   12   12                                       
CONECT   12   11   11    7   46                                       
CONECT   13   32   47   48   49                                       
CONECT   14   15   17   30   30                                       
CONECT   15   16   16   14   50                                       
CONECT   16    3   15   15    5                                       
CONECT   17   19   18   14   51                                       
CONECT   18   19   17   52   53                                       
CONECT   19   18   17   54   55                                       
CONECT   20   26    4   21   21                                       
CONECT   21   20   20   22   56                                       
CONECT   22   23   23   21   57                                       
CONECT   23   25   24   22   22                                       
CONECT   24   23                                                      
CONECT   25   26   26   23   58                                       
CONECT   26   25   25   20   59                                       
CONECT   27    4    5                                                 
CONECT   28    2    2                                                 
CONECT   29    1    2   60                                            
CONECT   30   14   14    6   31                                       
CONECT   31   30   35   32                                            
CONECT   32   31   33   33   13                                       
CONECT   32   34   34                                                 
CONECT   33   32   32                                                 
CONECT   34   32   32                                                 
CONECT   35    7   31   61   62                                       
CONECT   36   11                                                      
CONECT   37   38   10    9                                            
CONECT   38   37   63                                                 
CONECT   39    8    7    7   64                                       
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    6                                                      
CONECT   44    8                                                      
CONECT   45   10                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   15                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   29                                                      
CONECT   61   35                                                      
CONECT   62   35                                                      
CONECT   63   38                                                      
CONECT   64   39                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
