COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.285   1.574   1.174  1.00  0.00           C  
HETATM    2  F   UNL     1      -0.134  -5.118  -1.145  1.00  0.00           F  
HETATM    3  N   UNL     1       0.365   0.738   0.318  1.00  0.00           N  
HETATM    4  O   UNL     1      -6.877   2.838   0.323  1.00  0.00           O  
HETATM    5  S   UNL     1      -7.009   1.776  -0.612  1.00  0.00           S  
HETATM    6  C   UNL     1       5.213   0.438   0.364  1.00  0.00           C  
HETATM    7  F   UNL     1       2.580  -3.275   2.273  1.00  0.00           F  
HETATM    8  N   UNL     1       7.496   0.465  -0.520  1.00  0.00           N  
HETATM    9  O   UNL     1      -7.965   1.781  -1.663  1.00  0.00           O  
HETATM   10  C   UNL     1       3.972  -0.046  -0.044  1.00  0.00           C  
HETATM   11  N   UNL     1      -5.527   1.597  -1.329  1.00  0.00           N  
HETATM   12  O   UNL     1       6.528  -1.462   0.011  1.00  0.00           O  
HETATM   13  C   UNL     1       2.810   0.609   0.358  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.100   0.422  -2.033  1.00  0.00           N  
HETATM   15  O   UNL     1       1.415  -0.884  -0.777  1.00  0.00           O  
HETATM   16  C   UNL     1       2.896   1.744   1.168  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.145   1.840   1.245  1.00  0.00           O  
HETATM   18  C   UNL     1       4.129   2.217   1.569  1.00  0.00           C  
HETATM   19  C   UNL     1       1.488   0.103  -0.072  1.00  0.00           C  
HETATM   20  C   UNL     1       6.452  -0.250  -0.058  1.00  0.00           C  
HETATM   21  C   UNL     1       8.673  -0.221  -1.059  1.00  0.00           C  
HETATM   22  C   UNL     1       7.455   1.929  -0.483  1.00  0.00           C  
HETATM   23  C   UNL     1       8.212   2.430   0.748  1.00  0.00           C  
HETATM   24  C   UNL     1       8.055   3.948   0.862  1.00  0.00           C  
HETATM   25  C   UNL     1       8.491  -0.443  -2.561  1.00  0.00           C  
HETATM   26  C   UNL     1       9.720  -1.160  -3.124  1.00  0.00           C  
HETATM   27  C   UNL     1       4.214   3.439   2.447  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.944   0.237  -0.107  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.957   1.384  -0.096  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.292   0.891  -0.658  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.407  -0.861   0.852  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.476  -2.042   0.750  1.00  0.00           C  
HETATM   33  C   UNL     1       0.636  -2.117   1.567  1.00  0.00           C  
HETATM   34  C   UNL     1       1.492  -3.202   1.474  1.00  0.00           C  
HETATM   35  C   UNL     1       1.234  -4.211   0.563  1.00  0.00           C  
HETATM   36  C   UNL     1       0.120  -4.135  -0.255  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.738  -3.052  -0.156  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.301   2.044  -0.650  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.401   0.982  -2.659  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.346  -0.127  -2.584  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.312   0.318   0.329  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.947  -0.762  -0.254  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.185  -1.906   0.485  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.788  -1.969   1.807  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.152  -0.889   2.391  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.910   0.252   1.650  1.00  0.00           C  
HETATM   47  H   UNL     1       6.246   1.946   1.495  1.00  0.00           H  
HETATM   48  H   UNL     1       0.424   1.526   0.881  1.00  0.00           H  
HETATM   49  H   UNL     1       3.911  -0.923  -0.671  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.737   1.156  -2.623  1.00  0.00           H  
HETATM   51  H   UNL     1       1.996   2.252   1.480  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.476   1.162   1.849  1.00  0.00           H  
HETATM   53  H   UNL     1       9.560   0.390  -0.887  1.00  0.00           H  
HETATM   54  H   UNL     1       8.793  -1.183  -0.561  1.00  0.00           H  
HETATM   55  H   UNL     1       7.921   2.329  -1.384  1.00  0.00           H  
HETATM   56  H   UNL     1       6.418   2.262  -0.432  1.00  0.00           H  
HETATM   57  H   UNL     1       7.808   1.955   1.642  1.00  0.00           H  
HETATM   58  H   UNL     1       9.269   2.180   0.651  1.00  0.00           H  
HETATM   59  H   UNL     1       8.595   4.304   1.739  1.00  0.00           H  
HETATM   60  H   UNL     1       8.460   4.423  -0.032  1.00  0.00           H  
HETATM   61  H   UNL     1       6.999   4.197   0.959  1.00  0.00           H  
HETATM   62  H   UNL     1       7.604  -1.054  -2.733  1.00  0.00           H  
HETATM   63  H   UNL     1       8.371   0.519  -3.059  1.00  0.00           H  
HETATM   64  H   UNL     1      10.606  -0.549  -2.953  1.00  0.00           H  
HETATM   65  H   UNL     1       9.839  -2.122  -2.626  1.00  0.00           H  
HETATM   66  H   UNL     1       9.589  -1.318  -4.195  1.00  0.00           H  
HETATM   67  H   UNL     1       4.281   4.331   1.824  1.00  0.00           H  
HETATM   68  H   UNL     1       3.323   3.500   3.072  1.00  0.00           H  
HETATM   69  H   UNL     1       5.098   3.371   3.080  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.867  -0.170  -1.116  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.585   2.204  -0.710  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.665   0.072  -0.044  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.398  -0.479   1.873  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.418  -1.172   0.589  1.00  0.00           H  
HETATM   75  H   UNL     1       0.838  -1.330   2.278  1.00  0.00           H  
HETATM   76  H   UNL     1       1.901  -5.057   0.489  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.610  -2.994  -0.791  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.882   2.901  -1.177  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.532   2.321   0.379  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.359   0.557  -2.958  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.089   1.735  -3.383  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.161  -0.516  -3.585  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.704  -0.931  -1.942  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.257  -0.712  -1.287  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.682  -2.749   0.029  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.975  -2.863   2.385  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.842  -0.939   3.424  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.409   1.095   2.105  1.00  0.00           H  
CONECT    1    6    6   18   47                                       
CONECT    2   36                                                      
CONECT    3   28   19   48                                            
CONECT    4    5    5                                                 
CONECT    5    4    4   41   11                                       
CONECT    5    9    9                                                 
CONECT    6    1    1   20   10                                       
CONECT    7   34                                                      
CONECT    8   22   21   20                                            
CONECT    9    5    5                                                 
CONECT   10    6   13   13   49                                       
CONECT   11    5   38   39                                            
CONECT   12   20   20                                                 
CONECT   13   10   10   19   16                                       
CONECT   14   30   40   50                                            
CONECT   15   19   19                                                 
CONECT   16   13   18   18   51                                       
CONECT   17   29   52                                                 
CONECT   18    1   16   16   27                                       
CONECT   19    3   13   15   15                                       
CONECT   20    6    8   12   12                                       
CONECT   21    8   25   53   54                                       
CONECT   22    8   23   55   56                                       
CONECT   23   22   24   57   58                                       
CONECT   24   23   59   60   61                                       
CONECT   25   21   26   62   63                                       
CONECT   26   25   64   65   66                                       
CONECT   27   18   67   68   69                                       
CONECT   28    3   31   29   70                                       
CONECT   29   17   28   30   71                                       
CONECT   30   14   29   38   72                                       
CONECT   31   28   32   73   74                                       
CONECT   32   31   33   33   37                                       
CONECT   33   32   32   34   75                                       
CONECT   34    7   33   35   35                                       
CONECT   35   34   34   36   76                                       
CONECT   36    2   35   37   37                                       
CONECT   37   32   36   36   77                                       
CONECT   38   11   30   78   79                                       
CONECT   39   11   40   80   81                                       
CONECT   40   14   39   82   83                                       
CONECT   41    5   42   42   46                                       
CONECT   42   41   41   43   84                                       
CONECT   43   42   44   44   85                                       
CONECT   44   43   43   45   86                                       
CONECT   45   44   46   46   87                                       
CONECT   46   41   45   45   88                                       
CONECT   47    1                                                      
CONECT   48    3                                                      
CONECT   49   10                                                      
CONECT   50   14                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   33                                                      
CONECT   76   35                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   39                                                      
CONECT   82   40                                                      
CONECT   83   40                                                      
CONECT   84   42                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
CONECT   87   45                                                      
CONECT   88   46                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
