COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -8.120  -3.969   0.864  1.00  0.00           O  
HETATM    2  O   UNL     1      -5.154   2.137   2.061  1.00  0.00           O  
HETATM    3  O   UNL     1      -3.980   3.579   3.273  1.00  0.00           O  
HETATM    4  O   UNL     1      11.592  -3.884  -0.825  1.00  0.00           O  
HETATM    5  C   UNL     1      -5.079   2.161  -2.970  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.313   1.573  -3.258  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.969   0.913  -0.930  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.414   1.838  -1.824  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.264   0.563   0.308  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.955   1.159   0.635  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.582   1.285   0.275  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.483   2.283   1.249  1.00  0.00           C  
HETATM   13  C   UNL     1       0.834   2.874   1.569  1.00  0.00           C  
HETATM   14  C   UNL     1       3.243   3.036   1.238  1.00  0.00           C  
HETATM   15  C   UNL     1       4.303   2.394   0.382  1.00  0.00           C  
HETATM   16  C   UNL     1       4.727   2.832  -0.889  1.00  0.00           C  
HETATM   17  C   UNL     1       5.687   1.984  -1.310  1.00  0.00           C  
HETATM   18  C   UNL     1       6.789  -0.024  -0.405  1.00  0.00           C  
HETATM   19  C   UNL     1       8.135   0.236  -0.608  1.00  0.00           C  
HETATM   20  C   UNL     1       9.043  -0.813  -0.667  1.00  0.00           C  
HETATM   21  C   UNL     1       8.595  -2.128  -0.522  1.00  0.00           C  
HETATM   22  C   UNL     1       7.242  -2.379  -0.319  1.00  0.00           C  
HETATM   23  C   UNL     1       6.346  -1.333  -0.255  1.00  0.00           C  
HETATM   24  C   UNL     1       4.881  -1.611  -0.035  1.00  0.00           C  
HETATM   25  C   UNL     1      10.806  -2.959  -0.775  1.00  0.00           C  
HETATM   26  C   UNL     1      11.284  -1.555  -0.930  1.00  0.00           C  
HETATM   27  C   UNL     1      10.849   0.840  -1.023  1.00  0.00           C  
HETATM   28  C   UNL     1      11.199   1.405   0.330  1.00  0.00           C  
HETATM   29  C   UNL     1       5.024   1.297   0.693  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.622   2.714   1.929  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.862   2.161   1.623  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.074   2.622   2.330  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.879  -0.360   1.173  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.255  -0.739   2.382  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.859  -1.627   3.204  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.157  -2.194   2.841  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.784  -1.817   1.634  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.178  -0.922   0.803  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.218   0.323  -1.208  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.879   0.658  -2.380  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.805   0.729  -0.029  1.00  0.00           C  
HETATM   42  F   UNL     1       4.491  -1.098   1.207  1.00  0.00           F  
HETATM   43  F   UNL     1       4.134  -1.000  -1.047  1.00  0.00           F  
HETATM   44  F   UNL     1       4.660  -2.992  -0.059  1.00  0.00           F  
HETATM   45  N   UNL     1      -6.979   1.906  -4.431  1.00  0.00           N  
HETATM   46  N   UNL     1       1.938   2.451   0.922  1.00  0.00           N  
HETATM   47  N   UNL     1       5.872   1.036  -0.345  1.00  0.00           N  
HETATM   48  N   UNL     1       9.492  -3.192  -0.579  1.00  0.00           N  
HETATM   49  N   UNL     1      10.394  -0.544  -0.871  1.00  0.00           N  
HETATM   50  N   UNL     1      -6.747  -3.065   3.648  1.00  0.00           N  
HETATM   51  O   UNL     1       0.921   3.742   2.416  1.00  0.00           O  
HETATM   52  O   UNL     1      -8.743  -1.870  -0.009  1.00  0.00           O  
HETATM   53  O   UNL     1      -6.776  -0.559  -0.352  1.00  0.00           O  
HETATM   54  O   UNL     1      -9.429   0.829  -2.292  1.00  0.00           O  
HETATM   55  O   UNL     1      -8.563  -0.113  -4.272  1.00  0.00           O  
HETATM   56  O   UNL     1      -8.356  -1.428  -2.326  1.00  0.00           O  
HETATM   57  O   UNL     1      12.463  -1.325  -1.108  1.00  0.00           O  
HETATM   58  O   UNL     1      11.081   0.721   1.319  1.00  0.00           O  
HETATM   59  O   UNL     1      11.643   2.667   0.436  1.00  0.00           O  
HETATM   60  O   UNL     1      -9.137  -2.481   2.383  1.00  0.00           O  
HETATM   61  S   UNL     1      -8.348  -2.503   1.201  1.00  0.00           S  
HETATM   62  S   UNL     1      -8.436  -0.076  -2.755  1.00  0.00           S  
HETATM   63  H   UNL     1      -4.801   3.848   3.708  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.648   2.871  -3.660  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.460   2.295  -1.606  1.00  0.00           H  
HETATM   66  H   UNL     1       0.305   0.949  -0.241  1.00  0.00           H  
HETATM   67  H   UNL     1       3.472   2.865   2.290  1.00  0.00           H  
HETATM   68  H   UNL     1       3.217   4.108   1.042  1.00  0.00           H  
HETATM   69  H   UNL     1       4.351   3.690  -1.427  1.00  0.00           H  
HETATM   70  H   UNL     1       6.218   2.044  -2.249  1.00  0.00           H  
HETATM   71  H   UNL     1       8.477   1.254  -0.720  1.00  0.00           H  
HETATM   72  H   UNL     1       6.895  -3.395  -0.202  1.00  0.00           H  
HETATM   73  H   UNL     1      10.054   1.437  -1.471  1.00  0.00           H  
HETATM   74  H   UNL     1      11.728   0.865  -1.666  1.00  0.00           H  
HETATM   75  H   UNL     1       4.942   0.723   1.604  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.544   3.485   2.681  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.296  -0.321   2.649  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.382  -1.918   4.128  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.874  -0.041  -0.783  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.493   2.313  -5.166  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.929   1.732  -4.516  1.00  0.00           H  
HETATM   82  H   UNL     1       1.868   1.758   0.246  1.00  0.00           H  
HETATM   83  H   UNL     1       9.171  -4.102  -0.477  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.609  -3.442   3.409  1.00  0.00           H  
HETATM   85  H   UNL     1      11.855   2.985   1.324  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.923  -4.445   0.610  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.391  -0.502  -4.587  1.00  0.00           H  
CONECT    1   61   86                                                 
CONECT    2   32   32                                                 
CONECT    3   32   63                                                 
CONECT    4   25   25                                                 
CONECT    5    8    6    6   64                                       
CONECT    6    5    5   40   45                                       
CONECT    7    9    8    8   39                                       
CONECT    8    7    7    5   65                                       
CONECT    9   10   33   33    7                                       
CONECT   10   31   31   41    9                                       
CONECT   11   12   41   41   66                                       
CONECT   12   13   30   30   11                                       
CONECT   13   46   51   51   12                                       
CONECT   14   15   46   67   68                                       
CONECT   15   29   29   14   16                                       
CONECT   16   15   17   17   69                                       
CONECT   17   47   16   16   70                                       
CONECT   18   23   23   47   19                                       
CONECT   19   18   20   20   71                                       
CONECT   20   21   19   19   49                                       
CONECT   21   22   22   48   20                                       
CONECT   22   23   21   21   72                                       
CONECT   23   24   22   18   18                                       
CONECT   24   43   42   44   23                                       
CONECT   25   48    4    4   26                                       
CONECT   26   25   49   57   57                                       
CONECT   27   49   28   73   74                                       
CONECT   28   27   58   58   59                                       
CONECT   29   15   15   47   75                                       
CONECT   30   12   12   31   76                                       
CONECT   31   30   32   10   10                                       
CONECT   32    2    2    3   31                                       
CONECT   33   34    9    9   38                                       
CONECT   34   35   35   33   77                                       
CONECT   35   34   34   36   78                                       
CONECT   36   35   50   50   37                                       
CONECT   37   36   38   38   61                                       
CONECT   38   33   37   37   53                                       
CONECT   39    7   53   40   40                                       
CONECT   40   39   39    6   62                                       
CONECT   41   11   11   10   79                                       
CONECT   42   24                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45    6   80   81                                            
CONECT   46   14   13   82                                            
CONECT   47   29   18   17                                            
CONECT   48   21   25   83                                            
CONECT   49   20   26   27                                            
CONECT   50   36   36   84                                            
CONECT   51   13   13                                                 
CONECT   52   61   61                                                 
CONECT   53   38   39                                                 
CONECT   54   62   62                                                 
CONECT   55   62   87                                                 
CONECT   56   62   62                                                 
CONECT   57   26   26                                                 
CONECT   58   28   28                                                 
CONECT   59   28   85                                                 
CONECT   60   61   61                                                 
CONECT   61   37   52   52   60                                       
CONECT   61   60    1                                                 
CONECT   62   40   54   54   56                                       
CONECT   62   56   55                                                 
CONECT   63    3                                                      
CONECT   64    5                                                      
CONECT   65    8                                                      
CONECT   66   11                                                      
CONECT   67   14                                                      
CONECT   68   14                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   19                                                      
CONECT   72   22                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   41                                                      
CONECT   80   45                                                      
CONECT   81   45                                                      
CONECT   82   46                                                      
CONECT   83   48                                                      
CONECT   84   50                                                      
CONECT   85   59                                                      
CONECT   86    1                                                      
CONECT   87   55                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
