COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.613   1.907  -0.537  1.00  0.00           C  
HETATM    2  C   UNL     1       5.138   3.148   0.656  1.00  0.00           C  
HETATM    3  C   UNL     1       2.811  -2.450  -1.928  1.00  0.00           C  
HETATM    4  C   UNL     1       5.009  -3.711  -1.015  1.00  0.00           C  
HETATM    5  C   UNL     1       3.834  -2.866  -2.793  1.00  0.00           C  
HETATM    6  C   UNL     1       5.212  -4.178   1.715  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.189   0.016  -2.066  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.663  -1.421  -2.170  1.00  0.00           C  
HETATM    9  C   UNL     1       0.718  -1.415  -1.495  1.00  0.00           C  
HETATM   10  C   UNL     1       0.962   0.030  -1.038  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.585   0.017  -1.499  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.919   0.528  -1.581  1.00  0.00           C  
HETATM   13  C   UNL     1       0.362   2.550   0.413  1.00  0.00           C  
HETATM   14  C   UNL     1       2.784   2.815   0.441  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.197   3.895   0.885  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.659   3.727   1.303  1.00  0.00           C  
HETATM   17  C   UNL     1       3.977  -3.293  -0.137  1.00  0.00           C  
HETATM   18  C   UNL     1       4.102  -3.540   1.239  1.00  0.00           C  
HETATM   19  C   UNL     1       6.229  -4.590   0.847  1.00  0.00           C  
HETATM   20  C   UNL     1       6.138  -4.366  -0.491  1.00  0.00           C  
HETATM   21  C   UNL     1       6.514  -5.087   3.484  1.00  0.00           C  
HETATM   22  C   UNL     1       3.711  -2.606  -4.273  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.028  -0.281  -0.318  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.635  -2.305   1.627  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.022  -3.014   2.926  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.544  -3.535   1.585  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.274  -0.943   1.347  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.590   1.902  -1.617  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.312   2.348  -0.372  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.753   3.243   0.409  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.409   3.806   0.043  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.932   4.751   1.147  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.179   0.739  -2.418  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.432   5.009   0.984  1.00  0.00           C  
HETATM   35  C   UNL     1       6.423   2.766  -0.097  1.00  0.00           C  
HETATM   36  C   UNL     1       7.121   3.892   0.683  1.00  0.00           C  
HETATM   37  C   UNL     1       5.739   4.555   0.809  1.00  0.00           C  
HETATM   38  F   UNL     1       8.029   4.627  -0.087  1.00  0.00           F  
HETATM   39  F   UNL     1       7.658   3.477   1.906  1.00  0.00           F  
HETATM   40  N   UNL     1      -0.305   0.754  -1.161  1.00  0.00           N  
HETATM   41  N   UNL     1      -3.627   0.414  -2.296  1.00  0.00           N  
HETATM   42  N   UNL     1       1.640   2.765  -0.270  1.00  0.00           N  
HETATM   43  N   UNL     1       2.901  -2.669  -0.631  1.00  0.00           N  
HETATM   44  N   UNL     1       4.897  -3.479  -2.328  1.00  0.00           N  
HETATM   45  N   UNL     1      -4.869  -1.619  -0.359  1.00  0.00           N  
HETATM   46  O   UNL     1      -2.783  -0.330  -0.354  1.00  0.00           O  
HETATM   47  O   UNL     1      -1.689   2.430  -0.739  1.00  0.00           O  
HETATM   48  O   UNL     1       3.945   3.112  -0.172  1.00  0.00           O  
HETATM   49  O   UNL     1       2.767   2.591   1.636  1.00  0.00           O  
HETATM   50  O   UNL     1       1.724  -1.813  -2.428  1.00  0.00           O  
HETATM   51  O   UNL     1       5.330  -4.416   3.047  1.00  0.00           O  
HETATM   52  O   UNL     1      -5.260   0.270   0.737  1.00  0.00           O  
HETATM   53  O   UNL     1      -4.022  -1.843   1.912  1.00  0.00           O  
HETATM   54  O   UNL     1      -4.700  -3.841   0.619  1.00  0.00           O  
HETATM   55  S   UNL     1      -4.930  -2.503   1.040  1.00  0.00           S  
HETATM   56  H   UNL     1       5.013   2.621   1.602  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.187   0.488  -3.048  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.333  -2.105  -1.649  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.569  -1.712  -3.216  1.00  0.00           H  
HETATM   60  H   UNL     1       0.718  -2.085  -0.635  1.00  0.00           H  
HETATM   61  H   UNL     1       1.294   0.038   0.000  1.00  0.00           H  
HETATM   62  H   UNL     1       1.717   0.495  -1.673  1.00  0.00           H  
HETATM   63  H   UNL     1       0.515   1.898   1.273  1.00  0.00           H  
HETATM   64  H   UNL     1       0.385   4.251   1.735  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.133   4.619   0.073  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.099   2.892   0.757  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.710   3.528   2.373  1.00  0.00           H  
HETATM   68  H   UNL     1       3.323  -3.227   1.919  1.00  0.00           H  
HETATM   69  H   UNL     1       7.098  -5.093   1.245  1.00  0.00           H  
HETATM   70  H   UNL     1       6.931  -4.690  -1.150  1.00  0.00           H  
HETATM   71  H   UNL     1       6.481  -5.214   4.566  1.00  0.00           H  
HETATM   72  H   UNL     1       6.575  -6.065   3.006  1.00  0.00           H  
HETATM   73  H   UNL     1       7.388  -4.495   3.214  1.00  0.00           H  
HETATM   74  H   UNL     1       4.152  -1.637  -4.509  1.00  0.00           H  
HETATM   75  H   UNL     1       4.234  -3.387  -4.824  1.00  0.00           H  
HETATM   76  H   UNL     1       2.658  -2.605  -4.555  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.252  -3.600   3.428  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.732  -2.511   3.582  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.598  -3.375   1.359  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.117  -4.463   1.206  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.011  -0.248   2.145  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.910  -0.559   0.395  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.358  -1.053   1.304  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.087   2.692  -2.178  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.277   1.937  -0.123  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.258   3.572   1.303  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.694   2.990  -0.070  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.488   4.351  -0.898  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.473   5.694   1.076  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.119   4.296   2.120  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.064   0.767  -3.502  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.105   0.295  -2.055  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.123   5.800   1.667  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.225   5.313  -0.043  1.00  0.00           H  
HETATM   95  H   UNL     1       6.793   1.770   0.148  1.00  0.00           H  
HETATM   96  H   UNL     1       6.369   2.947  -1.171  1.00  0.00           H  
HETATM   97  H   UNL     1       5.499   5.225  -0.017  1.00  0.00           H  
HETATM   98  H   UNL     1       5.558   5.004   1.786  1.00  0.00           H  
HETATM   99  H   UNL     1      -3.527   0.604  -3.242  1.00  0.00           H  
HETATM  100  H   UNL     1       1.663   2.872  -1.234  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.718  -2.064  -1.208  1.00  0.00           H  
CONECT    1   13   40   47   47                                       
CONECT    2   48   35   37   56                                       
CONECT    3   43   50    5    5                                       
CONECT    4   17   20   44   44                                       
CONECT    5    3    3   44   22                                       
CONECT    6   51   18   18   19                                       
CONECT    7    8   40   11   57                                       
CONECT    8    9    7   58   59                                       
CONECT    9   10    8   50   60                                       
CONECT   10    9   40   61   62                                       
CONECT   11   46   46    7   41                                       
CONECT   12   23   41   28   33                                       
CONECT   13   15    1   42   63                                       
CONECT   14   49   49   42   48                                       
CONECT   15   16   13   64   65                                       
CONECT   16   34   15   66   67                                       
CONECT   17   18   43   43    4                                       
CONECT   18    6    6   17   68                                       
CONECT   19    6   20   20   69                                       
CONECT   20   19   19    4   70                                       
CONECT   21   51   71   72   73                                       
CONECT   22    5   74   75   76                                       
CONECT   23   45   52   52   12                                       
CONECT   24   27   26   25   55                                       
CONECT   25   26   24   77   78                                       
CONECT   26   24   25   79   80                                       
CONECT   27   24   81   82   83                                       
CONECT   28   29   12   33   84                                       
CONECT   29   30   30   28   85                                       
CONECT   30   31   29   29   86                                       
CONECT   31   32   30   87   88                                       
CONECT   32   34   31   89   90                                       
CONECT   33   12   28   91   92                                       
CONECT   34   16   32   93   94                                       
CONECT   35    2   36   95   96                                       
CONECT   36   35   37   39   38                                       
CONECT   37    2   36   97   98                                       
CONECT   38   36                                                      
CONECT   39   36                                                      
CONECT   40   10    7    1                                            
CONECT   41   11   12   99                                            
CONECT   42   13   14  100                                            
CONECT   43   17   17    3                                            
CONECT   44    4    4    5                                            
CONECT   45   55   23  101                                            
CONECT   46   11   11                                                 
CONECT   47    1    1                                                 
CONECT   48   14    2                                                 
CONECT   49   14   14                                                 
CONECT   50    9    3                                                 
CONECT   51   21    6                                                 
CONECT   52   23   23                                                 
CONECT   53   55   55                                                 
CONECT   54   55   55                                                 
CONECT   55   24   54   54   45                                       
CONECT   55   53   53                                                 
CONECT   56    2                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   13                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   22                                                      
CONECT   77   25                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   27                                                      
CONECT   84   28                                                      
CONECT   85   29                                                      
CONECT   86   30                                                      
CONECT   87   31                                                      
CONECT   88   31                                                      
CONECT   89   32                                                      
CONECT   90   32                                                      
CONECT   91   33                                                      
CONECT   92   33                                                      
CONECT   93   34                                                      
CONECT   94   34                                                      
CONECT   95   35                                                      
CONECT   96   35                                                      
CONECT   97   37                                                      
CONECT   98   37                                                      
CONECT   99   41                                                      
CONECT  100   42                                                      
CONECT  101   45                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
