COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.375  -3.026  -0.243  1.00  0.00           C  
HETATM    2  C   UNL     1       1.752  -0.213   1.345  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.606  -0.244   0.596  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.770   0.386  -0.031  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.501   0.944  -2.087  1.00  0.00           C  
HETATM    6  C   UNL     1       0.467   2.945  -2.984  1.00  0.00           C  
HETATM    7  C   UNL     1       0.723   0.309  -2.181  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.049  -0.264   0.500  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.267   0.475  -0.059  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.615   0.678  -0.033  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.584  -0.866  -0.079  1.00  0.00           C  
HETATM   12  C   UNL     1     -10.502  -2.468  -0.223  1.00  0.00           C  
HETATM   13  C   UNL     1       7.231  -5.594  -0.522  1.00  0.00           C  
HETATM   14  C   UNL     1       7.730  -6.429  -1.703  1.00  0.00           C  
HETATM   15  C   UNL     1       6.053  -4.728  -0.973  1.00  0.00           C  
HETATM   16  C   UNL     1       5.553  -3.892   0.208  1.00  0.00           C  
HETATM   17  S   UNL     1       3.783  -2.036   1.157  1.00  0.00           S  
HETATM   18  O   UNL     1       4.792  -1.107   1.526  1.00  0.00           O  
HETATM   19  O   UNL     1       3.235  -2.905   2.139  1.00  0.00           O  
HETATM   20  C   UNL     1       2.431  -1.145   0.339  1.00  0.00           C  
HETATM   21  C   UNL     1       0.554   0.435   0.699  1.00  0.00           C  
HETATM   22  O   UNL     1       0.633   1.568   0.273  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.695   0.200  -1.548  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.632   2.259  -2.493  1.00  0.00           C  
HETATM   25  C   UNL     1       1.693   2.310  -3.078  1.00  0.00           C  
HETATM   26  C   UNL     1       1.821   0.991  -2.677  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.094  -1.632   0.091  1.00  0.00           O  
HETATM   28  N   UNL     1      -5.490  -0.071   0.543  1.00  0.00           N  
HETATM   29  C   UNL     1      -7.909   0.166   0.546  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.769  -1.339   0.454  1.00  0.00           C  
HETATM   31  C   UNL     1     -10.282  -0.774   1.606  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.610   0.261   2.228  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.423   0.731   1.698  1.00  0.00           C  
HETATM   34  C   UNL     1     -11.484  -1.897  -1.247  1.00  0.00           C  
HETATM   35  N   UNL     1       2.698   0.822   1.768  1.00  0.00           N  
HETATM   36  C   UNL     1       3.232   1.660   0.858  1.00  0.00           C  
HETATM   37  O   UNL     1       2.929   1.557  -0.314  1.00  0.00           O  
HETATM   38  F   UNL     1       3.018   0.370  -2.769  1.00  0.00           F  
HETATM   39  F   UNL     1       0.340   4.231  -3.375  1.00  0.00           F  
HETATM   40  C   UNL     1       4.187   2.704   1.286  1.00  0.00           C  
HETATM   41  C   UNL     1       4.539   2.836   2.629  1.00  0.00           C  
HETATM   42  N   UNL     1       5.394   3.763   3.010  1.00  0.00           N  
HETATM   43  C   UNL     1       5.939   4.603   2.151  1.00  0.00           C  
HETATM   44  C   UNL     1       5.637   4.541   0.802  1.00  0.00           C  
HETATM   45  C   UNL     1       4.749   3.581   0.350  1.00  0.00           C  
HETATM   46  H   UNL     1       4.698  -2.363  -1.046  1.00  0.00           H  
HETATM   47  H   UNL     1       3.569  -3.666  -0.602  1.00  0.00           H  
HETATM   48  H   UNL     1       1.430  -0.789   2.213  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.669  -1.150   0.936  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.778   1.450   0.204  1.00  0.00           H  
HETATM   51  H   UNL     1       0.823  -0.720  -1.868  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.060  -0.210   1.588  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.188   1.536   0.177  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.305   0.346  -1.141  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.506   1.737   0.203  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.623   0.547  -1.115  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.183  -1.307  -0.979  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.785  -3.115  -0.729  1.00  0.00           H  
HETATM   59  H   UNL     1     -11.049  -3.045   0.523  1.00  0.00           H  
HETATM   60  H   UNL     1       6.908  -6.257   0.281  1.00  0.00           H  
HETATM   61  H   UNL     1       8.036  -4.954  -0.163  1.00  0.00           H  
HETATM   62  H   UNL     1       8.569  -7.046  -1.382  1.00  0.00           H  
HETATM   63  H   UNL     1       6.925  -7.069  -2.062  1.00  0.00           H  
HETATM   64  H   UNL     1       8.053  -5.766  -2.506  1.00  0.00           H  
HETATM   65  H   UNL     1       6.375  -4.065  -1.776  1.00  0.00           H  
HETATM   66  H   UNL     1       5.247  -5.368  -1.332  1.00  0.00           H  
HETATM   67  H   UNL     1       5.230  -4.555   1.011  1.00  0.00           H  
HETATM   68  H   UNL     1       6.359  -3.252   0.567  1.00  0.00           H  
HETATM   69  H   UNL     1       2.831  -0.557  -0.488  1.00  0.00           H  
HETATM   70  H   UNL     1       1.703  -1.860  -0.044  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.598  -0.861  -1.780  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.604   0.590  -2.007  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.589   2.754  -2.419  1.00  0.00           H  
HETATM   74  H   UNL     1       2.549   2.843  -3.465  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.083  -1.635  -0.876  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.576  -1.021   0.215  1.00  0.00           H  
HETATM   77  H   UNL     1     -11.209  -1.142   2.021  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.011   0.703   3.128  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.898   1.540   2.183  1.00  0.00           H  
HETATM   80  H   UNL     1     -12.015  -2.713  -1.737  1.00  0.00           H  
HETATM   81  H   UNL     1     -12.201  -1.250  -0.741  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.937  -1.320  -1.993  1.00  0.00           H  
HETATM   83  H   UNL     1       2.940   0.904   2.704  1.00  0.00           H  
HETATM   84  H   UNL     1       4.114   2.167   3.363  1.00  0.00           H  
HETATM   85  H   UNL     1       6.632   5.351   2.506  1.00  0.00           H  
HETATM   86  H   UNL     1       6.091   5.234   0.109  1.00  0.00           H  
HETATM   87  H   UNL     1       4.496   3.510  -0.697  1.00  0.00           H  
CONECT    1   16   17   46   47                                       
CONECT    2   20   21   35   48                                       
CONECT    3    4   21   49                                            
CONECT    4    3    8   23   50                                       
CONECT    5    7   23   24   24                                       
CONECT    6   24   25   25   39                                       
CONECT    7    5   26   26   51                                       
CONECT    8    4    9   27   52                                       
CONECT    9    8   28   53   54                                       
CONECT   10   28   29   55   56                                       
CONECT   11   29   29   30   57                                       
CONECT   12   30   34   58   59                                       
CONECT   13   14   15   60   61                                       
CONECT   14   13   62   63   64                                       
CONECT   15   13   16   65   66                                       
CONECT   16    1   15   67   68                                       
CONECT   17    1   18   18   19                                       
CONECT   17   19   20                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20    2   17   69   70                                       
CONECT   21    2    3   22   22                                       
CONECT   22   21   21                                                 
CONECT   23    4    5   71   72                                       
CONECT   24    5    5    6   73                                       
CONECT   25    6    6   26   74                                       
CONECT   26    7    7   25   38                                       
CONECT   27    8   75                                                 
CONECT   28    9   10   76                                            
CONECT   29   10   11   11   33                                       
CONECT   30   11   12   31   31                                       
CONECT   31   30   30   32   77                                       
CONECT   32   31   33   33   78                                       
CONECT   33   29   32   32   79                                       
CONECT   34   12   80   81   82                                       
CONECT   35    2   36   83                                            
CONECT   36   35   37   37   40                                       
CONECT   37   36   36                                                 
CONECT   38   26                                                      
CONECT   39    6                                                      
CONECT   40   36   41   45   45                                       
CONECT   41   40   42   42   84                                       
CONECT   42   41   41   43                                            
CONECT   43   42   44   44   85                                       
CONECT   44   43   43   45   86                                       
CONECT   45   40   40   44   87                                       
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   16                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   41                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
CONECT   87   45                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
