COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.443   0.315  -1.292  1.00  0.00           C  
HETATM    2  C   UNL     1       8.238   1.204  -1.252  1.00  0.00           C  
HETATM    3  C   UNL     1       7.205   3.943  -3.369  1.00  0.00           C  
HETATM    4  C   UNL     1       6.357   2.388  -1.609  1.00  0.00           C  
HETATM    5  C   UNL     1       6.884   1.351  -0.862  1.00  0.00           C  
HETATM    6  C   UNL     1       2.224   1.399   1.840  1.00  0.00           C  
HETATM    7  C   UNL     1       0.768   1.691   1.820  1.00  0.00           C  
HETATM    8  C   UNL     1       0.279   2.921   2.308  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.062   3.089   2.469  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.525   1.220   0.737  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.740   0.121   1.765  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.917   0.765   0.018  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.793   2.875  -1.764  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.701   2.555  -0.985  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.757   1.497  -0.084  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.296   0.953  -0.117  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.546  -0.603  -0.474  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.073  -1.961  -0.888  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.510  -1.908  -1.442  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.116  -3.235  -0.938  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.448  -3.530   0.293  1.00  0.00           O  
HETATM   22  O   UNL     1       9.118   0.293  -0.758  1.00  0.00           O  
HETATM   23  N   UNL     1       8.491   2.095  -2.175  1.00  0.00           N  
HETATM   24  N   UNL     1       7.332   2.844  -2.409  1.00  0.00           N  
HETATM   25  C   UNL     1       6.172   0.551   0.148  1.00  0.00           C  
HETATM   26  O   UNL     1       6.753  -0.340   0.738  1.00  0.00           O  
HETATM   27  N   UNL     1       4.876   0.805   0.418  1.00  0.00           N  
HETATM   28  S   UNL     1       4.042  -0.174   1.451  1.00  0.00           S  
HETATM   29  O   UNL     1       4.506   0.037   2.770  1.00  0.00           O  
HETATM   30  N   UNL     1       2.578   0.193   1.394  1.00  0.00           N  
HETATM   31  O   UNL     1       3.034   2.212   2.260  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.953   2.095   2.040  1.00  0.00           C  
HETATM   33  O   UNL     1      -3.226   2.237   2.448  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.242   2.534   1.510  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.647  -0.983   1.224  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.036  -0.400   0.966  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.018   1.087  -0.762  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.960   2.140  -1.653  1.00  0.00           C  
HETATM   39 CL   UNL     1      -9.342   2.541  -2.626  1.00  0.00          Cl  
HETATM   40  N   UNL     1      -2.326   0.073   0.593  1.00  0.00           N  
HETATM   41  C   UNL     1      -2.124  -2.966   0.276  1.00  0.00           C  
HETATM   42  C   UNL     1      -1.137  -4.109   0.118  1.00  0.00           C  
HETATM   43  O   UNL     1      -1.699  -5.083  -0.768  1.00  0.00           O  
HETATM   44  C   UNL     1      -1.273  -6.422  -0.506  1.00  0.00           C  
HETATM   45  C   UNL     1       0.215  -3.723  -0.397  1.00  0.00           C  
HETATM   46  F   UNL     1       0.370  -3.198  -1.630  1.00  0.00           F  
HETATM   47  C   UNL     1       1.271  -3.916   0.366  1.00  0.00           C  
HETATM   48  C   UNL     1       2.661  -3.637  -0.133  1.00  0.00           C  
HETATM   49  C   UNL     1       2.970  -2.145  -0.094  1.00  0.00           C  
HETATM   50  C   UNL     1       3.317  -1.668  -1.507  1.00  0.00           C  
HETATM   51  C   UNL     1       4.163  -1.885   0.838  1.00  0.00           C  
HETATM   52  C   UNL     1      -1.473   0.938   1.290  1.00  0.00           C  
HETATM   53  C   UNL     1      -0.095   0.732   1.296  1.00  0.00           C  
HETATM   54  H   UNL     1      11.041  -0.460  -0.812  1.00  0.00           H  
HETATM   55  H   UNL     1      10.405   0.133  -2.366  1.00  0.00           H  
HETATM   56  H   UNL     1      10.894   1.290  -1.104  1.00  0.00           H  
HETATM   57  H   UNL     1       7.458   4.884  -2.880  1.00  0.00           H  
HETATM   58  H   UNL     1       7.883   3.775  -4.206  1.00  0.00           H  
HETATM   59  H   UNL     1       6.179   3.989  -3.736  1.00  0.00           H  
HETATM   60  H   UNL     1       5.345   2.761  -1.558  1.00  0.00           H  
HETATM   61  H   UNL     1       0.963   3.715   2.570  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.448   4.004   2.898  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.781  -0.308   2.058  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.205   0.555   2.658  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.735   3.698  -2.461  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.793   3.131  -1.079  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.567   0.508  -1.061  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.782   1.900  -0.308  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.517  -0.735  -0.189  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.572   0.047  -1.355  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.427  -2.371  -1.685  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.068  -1.071  -1.035  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.504  -1.881  -2.532  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.182  -3.115  -0.766  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.932  -4.023  -1.663  1.00  0.00           H  
HETATM   76  H   UNL     1       4.434   1.563   0.004  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.903   3.297   0.814  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.148   2.854   2.018  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.239  -1.381   0.298  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.725  -1.786   1.960  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.468  -0.063   1.906  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.672  -1.164   0.522  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.926   0.509  -0.674  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.955  -2.446   1.220  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.008  -4.584   1.097  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.189  -6.484  -0.605  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.562  -6.703   0.507  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.742  -7.099  -1.219  1.00  0.00           H  
HETATM   89  H   UNL     1       1.133  -4.317   1.362  1.00  0.00           H  
HETATM   90  H   UNL     1       3.380  -4.169   0.490  1.00  0.00           H  
HETATM   91  H   UNL     1       2.750  -3.992  -1.161  1.00  0.00           H  
HETATM   92  H   UNL     1       2.096  -1.607   0.267  1.00  0.00           H  
HETATM   93  H   UNL     1       2.471  -1.850  -2.169  1.00  0.00           H  
HETATM   94  H   UNL     1       3.540  -0.601  -1.485  1.00  0.00           H  
HETATM   95  H   UNL     1       4.187  -2.214  -1.871  1.00  0.00           H  
HETATM   96  H   UNL     1       5.095  -2.013   0.289  1.00  0.00           H  
HETATM   97  H   UNL     1       4.133  -2.578   1.678  1.00  0.00           H  
HETATM   98  H   UNL     1       0.354  -0.193   0.966  1.00  0.00           H  
CONECT    1   22   54   55   56                                       
CONECT    2   23   23    5   22                                       
CONECT    3   24   57   58   59                                       
CONECT    4   24    5    5   60                                       
CONECT    5    4    4    2   25                                       
CONECT    6    7   30   31   31                                       
CONECT    7    8    8   53    6                                       
CONECT    8    9    7    7   61                                       
CONECT    9   32   32    8   62                                       
CONECT   10   15   34   16   11                                       
CONECT   11   10   35   63   64                                       
CONECT   12   37   37   15   36                                       
CONECT   13   38   38   14   65                                       
CONECT   14   13   15   15   66                                       
CONECT   15   14   14   12   10                                       
CONECT   16   10   40   67   68                                       
CONECT   17   40   18   69   70                                       
CONECT   18   19   17   41   71                                       
CONECT   19   20   18   72   73                                       
CONECT   20   19   21   74   75                                       
CONECT   21   20   41                                                 
CONECT   22    2    1                                                 
CONECT   23   24    2    2                                            
CONECT   24    3    4   23                                            
CONECT   25    5   27   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   76                                            
CONECT   28   30   30   27   51                                       
CONECT   28   29   29                                                 
CONECT   29   28   28                                                 
CONECT   30    6   28   28                                            
CONECT   31    6    6                                                 
CONECT   32   33    9    9   52                                       
CONECT   33   34   32                                                 
CONECT   34   33   10   77   78                                       
CONECT   35   36   11   79   80                                       
CONECT   36   12   35   81   82                                       
CONECT   37   38   12   12   83                                       
CONECT   38   39   13   13   37                                       
CONECT   39   38                                                      
CONECT   40   16   52   17                                            
CONECT   41   18   21   42   84                                       
CONECT   42   41   45   43   85                                       
CONECT   43   42   44                                                 
CONECT   44   43   86   87   88                                       
CONECT   45   46   42   47   47                                       
CONECT   46   45                                                      
CONECT   47   45   45   48   89                                       
CONECT   48   49   47   90   91                                       
CONECT   49   50   48   51   92                                       
CONECT   50   49   93   94   95                                       
CONECT   51   49   28   96   97                                       
CONECT   52   32   40   53   53                                       
CONECT   53   52   52    7   98                                       
CONECT   54    1                                                      
CONECT   55    1                                                      
CONECT   56    1                                                      
CONECT   57    3                                                      
CONECT   58    3                                                      
CONECT   59    3                                                      
CONECT   60    4                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63   11                                                      
CONECT   64   11                                                      
CONECT   65   13                                                      
CONECT   66   14                                                      
CONECT   67   16                                                      
CONECT   68   16                                                      
CONECT   69   17                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   20                                                      
CONECT   76   27                                                      
CONECT   77   34                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   41                                                      
CONECT   85   42                                                      
CONECT   86   44                                                      
CONECT   87   44                                                      
CONECT   88   44                                                      
CONECT   89   47                                                      
CONECT   90   48                                                      
CONECT   91   48                                                      
CONECT   92   49                                                      
CONECT   93   50                                                      
CONECT   94   50                                                      
CONECT   95   50                                                      
CONECT   96   51                                                      
CONECT   97   51                                                      
CONECT   98   53                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
