COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.530  -3.481  -2.658  1.00  0.00           O  
HETATM    2  C   UNL     1       3.981  -2.550  -2.102  1.00  0.00           C  
HETATM    3  N   UNL     1       3.189  -1.717  -2.806  1.00  0.00           N  
HETATM    4  C   UNL     1       2.991  -1.933  -4.241  1.00  0.00           C  
HETATM    5  C   UNL     1       1.677  -1.328  -4.664  1.00  0.00           C  
HETATM    6  C   UNL     1       0.870  -1.991  -5.570  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.335  -1.436  -5.957  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.734  -0.218  -5.438  1.00  0.00           C  
HETATM    9  C   UNL     1       0.072   0.444  -4.531  1.00  0.00           C  
HETATM   10  C   UNL     1       1.275  -0.113  -4.140  1.00  0.00           C  
HETATM   11  C   UNL     1       4.130  -1.272  -5.019  1.00  0.00           C  
HETATM   12  C   UNL     1       4.176  -2.336  -0.652  1.00  0.00           C  
HETATM   13  C   UNL     1       4.991  -3.202   0.079  1.00  0.00           C  
HETATM   14  C   UNL     1       5.175  -3.001   1.439  1.00  0.00           C  
HETATM   15  N   UNL     1       5.991  -3.870   2.168  1.00  0.00           N  
HETATM   16  C   UNL     1       6.632  -3.410   3.403  1.00  0.00           C  
HETATM   17  S   UNL     1       6.235  -5.419   1.637  1.00  0.00           S  
HETATM   18  O   UNL     1       5.076  -5.712   0.868  1.00  0.00           O  
HETATM   19  C   UNL     1       7.696  -5.306   0.567  1.00  0.00           C  
HETATM   20  O   UNL     1       6.535  -6.152   2.816  1.00  0.00           O  
HETATM   21  C   UNL     1       4.550  -1.939   2.078  1.00  0.00           C  
HETATM   22  C   UNL     1       3.551  -1.265  -0.015  1.00  0.00           C  
HETATM   23  C   UNL     1       3.734  -1.070   1.352  1.00  0.00           C  
HETATM   24  C   UNL     1       3.068   0.061   2.033  1.00  0.00           C  
HETATM   25  O   UNL     1       3.231   0.234   3.225  1.00  0.00           O  
HETATM   26  N   UNL     1       2.280   0.900   1.332  1.00  0.00           N  
HETATM   27  C   UNL     1       1.620   2.021   2.007  1.00  0.00           C  
HETATM   28  C   UNL     1       2.578   3.212   2.074  1.00  0.00           C  
HETATM   29  O   UNL     1       2.839   3.688   0.753  1.00  0.00           O  
HETATM   30  C   UNL     1       3.679   4.750   0.634  1.00  0.00           C  
HETATM   31  C   UNL     1       3.976   5.264  -0.619  1.00  0.00           C  
HETATM   32  C   UNL     1       4.830   6.346  -0.738  1.00  0.00           C  
HETATM   33  F   UNL     1       5.120   6.846  -1.959  1.00  0.00           F  
HETATM   34  C   UNL     1       5.387   6.916   0.393  1.00  0.00           C  
HETATM   35  C   UNL     1       5.092   6.405   1.645  1.00  0.00           C  
HETATM   36  F   UNL     1       5.636   6.963   2.749  1.00  0.00           F  
HETATM   37  C   UNL     1       4.234   5.326   1.768  1.00  0.00           C  
HETATM   38  C   UNL     1       0.365   2.419   1.227  1.00  0.00           C  
HETATM   39  O   UNL     1      -0.215   3.583   1.819  1.00  0.00           O  
HETATM   40  C   UNL     1      -0.645   1.270   1.264  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.827   1.613   0.394  1.00  0.00           C  
HETATM   42  O   UNL     1      -1.859   2.671  -0.197  1.00  0.00           O  
HETATM   43  N   UNL     1      -2.849   0.743   0.274  1.00  0.00           N  
HETATM   44  C   UNL     1      -3.999   1.076  -0.571  1.00  0.00           C  
HETATM   45  C   UNL     1      -3.694   0.692  -2.021  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.544   1.555  -2.545  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.296  -0.783  -2.086  1.00  0.00           C  
HETATM   48  C   UNL     1      -5.209   0.315  -0.095  1.00  0.00           C  
HETATM   49  O   UNL     1      -5.071  -0.724   0.516  1.00  0.00           O  
HETATM   50  N   UNL     1      -6.445   0.790  -0.347  1.00  0.00           N  
HETATM   51  C   UNL     1      -7.564   0.162   0.213  1.00  0.00           C  
HETATM   52  C   UNL     1      -8.770   0.156  -0.472  1.00  0.00           C  
HETATM   53  C   UNL     1      -9.888  -0.469   0.083  1.00  0.00           C  
HETATM   54  C   UNL     1     -11.172  -0.475  -0.648  1.00  0.00           C  
HETATM   55  O   UNL     1     -11.255   0.064  -1.733  1.00  0.00           O  
HETATM   56  O   UNL     1     -12.250  -1.079  -0.111  1.00  0.00           O  
HETATM   57  C   UNL     1      -7.463  -0.458   1.450  1.00  0.00           C  
HETATM   58  C   UNL     1      -8.576  -1.086   2.011  1.00  0.00           C  
HETATM   59  C   UNL     1      -9.791  -1.089   1.328  1.00  0.00           C  
HETATM   60  C   UNL     1      -8.467  -1.747   3.329  1.00  0.00           C  
HETATM   61  O   UNL     1      -7.408  -1.744   3.923  1.00  0.00           O  
HETATM   62  O   UNL     1      -9.542  -2.352   3.870  1.00  0.00           O  
HETATM   63  H   UNL     1       2.751  -0.974  -2.362  1.00  0.00           H  
HETATM   64  H   UNL     1       2.982  -3.003  -4.450  1.00  0.00           H  
HETATM   65  H   UNL     1       1.182  -2.942  -5.976  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.965  -1.953  -6.666  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.676   0.216  -5.741  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.240   1.395  -4.125  1.00  0.00           H  
HETATM   69  H   UNL     1       1.903   0.402  -3.429  1.00  0.00           H  
HETATM   70  H   UNL     1       3.983  -1.432  -6.087  1.00  0.00           H  
HETATM   71  H   UNL     1       4.139  -0.202  -4.811  1.00  0.00           H  
HETATM   72  H   UNL     1       5.081  -1.709  -4.714  1.00  0.00           H  
HETATM   73  H   UNL     1       5.479  -4.029  -0.415  1.00  0.00           H  
HETATM   74  H   UNL     1       5.975  -3.609   4.249  1.00  0.00           H  
HETATM   75  H   UNL     1       7.575  -3.939   3.542  1.00  0.00           H  
HETATM   76  H   UNL     1       6.823  -2.339   3.336  1.00  0.00           H  
HETATM   77  H   UNL     1       8.542  -4.937   1.147  1.00  0.00           H  
HETATM   78  H   UNL     1       7.931  -6.293   0.169  1.00  0.00           H  
HETATM   79  H   UNL     1       7.492  -4.621  -0.255  1.00  0.00           H  
HETATM   80  H   UNL     1       4.695  -1.786   3.137  1.00  0.00           H  
HETATM   81  H   UNL     1       2.924  -0.591  -0.579  1.00  0.00           H  
HETATM   82  H   UNL     1       2.149   0.762   0.381  1.00  0.00           H  
HETATM   83  H   UNL     1       1.339   1.722   3.017  1.00  0.00           H  
HETATM   84  H   UNL     1       2.126   4.009   2.665  1.00  0.00           H  
HETATM   85  H   UNL     1       3.513   2.900   2.540  1.00  0.00           H  
HETATM   86  H   UNL     1       3.542   4.819  -1.502  1.00  0.00           H  
HETATM   87  H   UNL     1       6.054   7.761   0.299  1.00  0.00           H  
HETATM   88  H   UNL     1       4.000   4.930   2.745  1.00  0.00           H  
HETATM   89  H   UNL     1       0.634   2.634   0.192  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.413   3.487   2.761  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.173   0.360   0.893  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.980   1.115   2.289  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.824  -0.104   0.746  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.195   2.146  -0.512  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.580   0.857  -2.634  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.630   1.310  -2.004  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.400   1.361  -3.608  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.783   2.608  -2.397  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.115  -1.398  -1.712  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.079  -1.056  -3.118  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.409  -0.948  -1.472  1.00  0.00           H  
HETATM  102  H   UNL     1      -6.560   1.567  -0.917  1.00  0.00           H  
HETATM  103  H   UNL     1      -8.844   0.636  -1.437  1.00  0.00           H  
HETATM  104  H   UNL     1     -13.068  -1.057  -0.627  1.00  0.00           H  
HETATM  105  H   UNL     1      -6.521  -0.456   1.979  1.00  0.00           H  
HETATM  106  H   UNL     1     -10.654  -1.573   1.760  1.00  0.00           H  
HETATM  107  H   UNL     1      -9.422  -2.770   4.733  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   12                                       
CONECT    3    2    4   63                                            
CONECT    4    3    5   11   64                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   65                                       
CONECT    7    6    8    8   66                                       
CONECT    8    7    7    9   67                                       
CONECT    9    8   10   10   68                                       
CONECT   10    5    9    9   69                                       
CONECT   11    4   70   71   72                                       
CONECT   12    2   13   13   22                                       
CONECT   13   12   12   14   73                                       
CONECT   14   13   15   21   21                                       
CONECT   15   14   16   17                                            
CONECT   16   15   74   75   76                                       
CONECT   17   15   18   18   19                                       
CONECT   17   20   20                                                 
CONECT   18   17   17                                                 
CONECT   19   17   77   78   79                                       
CONECT   20   17   17                                                 
CONECT   21   14   14   23   80                                       
CONECT   22   12   23   23   81                                       
CONECT   23   21   22   22   24                                       
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   82                                            
CONECT   27   26   28   38   83                                       
CONECT   28   27   29   84   85                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   31   37                                       
CONECT   31   30   30   32   86                                       
CONECT   32   31   33   34   34                                       
CONECT   33   32                                                      
CONECT   34   32   32   35   87                                       
CONECT   35   34   36   37   37                                       
CONECT   36   35                                                      
CONECT   37   30   35   35   88                                       
CONECT   38   27   39   40   89                                       
CONECT   39   38   90                                                 
CONECT   40   38   41   91   92                                       
CONECT   41   40   42   42   43                                       
CONECT   42   41   41                                                 
CONECT   43   41   44   93                                            
CONECT   44   43   45   48   94                                       
CONECT   45   44   46   47   95                                       
CONECT   46   45   96   97   98                                       
CONECT   47   45   99  100  101                                       
CONECT   48   44   49   49   50                                       
CONECT   49   48   48                                                 
CONECT   50   48   51  102                                            
CONECT   51   50   52   52   57                                       
CONECT   52   51   51   53  103                                       
CONECT   53   52   54   59   59                                       
CONECT   54   53   55   55   56                                       
CONECT   55   54   54                                                 
CONECT   56   54  104                                                 
CONECT   57   51   58   58  105                                       
CONECT   58   57   57   59   60                                       
CONECT   59   53   53   58  106                                       
CONECT   60   58   61   61   62                                       
CONECT   61   60   60                                                 
CONECT   62   60  107                                                 
CONECT   63    3                                                      
CONECT   64    4                                                      
CONECT   65    6                                                      
CONECT   66    7                                                      
CONECT   67    8                                                      
CONECT   68    9                                                      
CONECT   69   10                                                      
CONECT   70   11                                                      
CONECT   71   11                                                      
CONECT   72   11                                                      
CONECT   73   13                                                      
CONECT   74   16                                                      
CONECT   75   16                                                      
CONECT   76   16                                                      
CONECT   77   19                                                      
CONECT   78   19                                                      
CONECT   79   19                                                      
CONECT   80   21                                                      
CONECT   81   22                                                      
CONECT   82   26                                                      
CONECT   83   27                                                      
CONECT   84   28                                                      
CONECT   85   28                                                      
CONECT   86   31                                                      
CONECT   87   34                                                      
CONECT   88   37                                                      
CONECT   89   38                                                      
CONECT   90   39                                                      
CONECT   91   40                                                      
CONECT   92   40                                                      
CONECT   93   43                                                      
CONECT   94   44                                                      
CONECT   95   45                                                      
CONECT   96   46                                                      
CONECT   97   46                                                      
CONECT   98   46                                                      
CONECT   99   47                                                      
CONECT  100   47                                                      
CONECT  101   47                                                      
CONECT  102   50                                                      
CONECT  103   52                                                      
CONECT  104   56                                                      
CONECT  105   57                                                      
CONECT  106   59                                                      
CONECT  107   62                                                      
MASTER        0    0    0    0    0    0    0    0  107    0  107    0
END
