COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      14.767  -3.298   1.869  1.00  0.00           C  
HETATM    2  C   UNL     1      15.142  -0.693   0.969  1.00  0.00           C  
HETATM    3  C   UNL     1      12.492  -0.501  -1.093  1.00  0.00           C  
HETATM    4  C   UNL     1      11.557  -0.118  -3.160  1.00  0.00           C  
HETATM    5  C   UNL     1      13.282  -1.048  -2.062  1.00  0.00           C  
HETATM    6  C   UNL     1       9.334   1.268  -2.348  1.00  0.00           C  
HETATM    7  C   UNL     1       7.229   2.464  -2.945  1.00  0.00           C  
HETATM    8  C   UNL     1      19.667  -3.830  -2.145  1.00  0.00           C  
HETATM    9  C   UNL     1      19.834  -3.283  -0.726  1.00  0.00           C  
HETATM   10  C   UNL     1      18.633  -2.402  -0.374  1.00  0.00           C  
HETATM   11  S   UNL     1      18.832  -1.753   1.308  1.00  0.00           S  
HETATM   12  N   UNL     1      17.480  -0.829   1.557  1.00  0.00           N  
HETATM   13  O   UNL     1      18.721  -2.800   2.263  1.00  0.00           O  
HETATM   14  O   UNL     1      19.906  -0.824   1.361  1.00  0.00           O  
HETATM   15  C   UNL     1      16.210  -1.414   1.486  1.00  0.00           C  
HETATM   16  C   UNL     1      16.019  -2.714   1.934  1.00  0.00           C  
HETATM   17  C   UNL     1      13.695  -2.592   1.357  1.00  0.00           C  
HETATM   18  C   UNL     1      13.875  -1.281   0.903  1.00  0.00           C  
HETATM   19  F   UNL     1      15.326   0.573   0.534  1.00  0.00           F  
HETATM   20  F   UNL     1      12.474  -3.167   1.295  1.00  0.00           F  
HETATM   21  C   UNL     1      12.734  -0.522   0.356  1.00  0.00           C  
HETATM   22  O   UNL     1      11.992   0.086   1.105  1.00  0.00           O  
HETATM   23  C   UNL     1      11.352   0.120  -1.790  1.00  0.00           C  
HETATM   24  N   UNL     1      12.733  -0.825  -3.281  1.00  0.00           N  
HETATM   25  C   UNL     1      10.226   0.823  -1.372  1.00  0.00           C  
HETATM   26  C   UNL     1       9.604   0.994  -3.690  1.00  0.00           C  
HETATM   27  N   UNL     1      10.680   0.330  -4.050  1.00  0.00           N  
HETATM   28  C   UNL     1       8.115   2.023  -1.965  1.00  0.00           C  
HETATM   29  C   UNL     1       6.096   3.165  -2.583  1.00  0.00           C  
HETATM   30  C   UNL     1       5.837   3.425  -1.249  1.00  0.00           C  
HETATM   31  C   UNL     1       6.710   2.983  -0.271  1.00  0.00           C  
HETATM   32  C   UNL     1       7.852   2.292  -0.623  1.00  0.00           C  
HETATM   33  C   UNL     1       4.599   4.191  -0.860  1.00  0.00           C  
HETATM   34  N   UNL     1       3.494   3.254  -0.640  1.00  0.00           N  
HETATM   35  C   UNL     1       2.280   3.716  -0.281  1.00  0.00           C  
HETATM   36  C   UNL     1       1.144   2.753  -0.054  1.00  0.00           C  
HETATM   37  O   UNL     1      -0.030   3.479   0.315  1.00  0.00           O  
HETATM   38  C   UNL     1      -1.173   2.655   0.554  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.346   3.520   0.934  1.00  0.00           C  
HETATM   40  N   UNL     1      -3.539   2.956   1.207  1.00  0.00           N  
HETATM   41  C   UNL     1      -4.680   3.798   1.576  1.00  0.00           C  
HETATM   42  C   UNL     1     -20.211  -2.862   1.590  1.00  0.00           C  
HETATM   43  C   UNL     1     -20.175  -2.301   0.168  1.00  0.00           C  
HETATM   44  C   UNL     1     -18.805  -1.673  -0.099  1.00  0.00           C  
HETATM   45  S   UNL     1     -18.762  -1.008  -1.786  1.00  0.00           S  
HETATM   46  N   UNL     1     -17.243  -0.367  -1.939  1.00  0.00           N  
HETATM   47  O   UNL     1     -18.796  -2.062  -2.738  1.00  0.00           O  
HETATM   48  O   UNL     1     -19.628   0.112  -1.902  1.00  0.00           O  
HETATM   49  C   UNL     1     -16.118  -1.189  -1.791  1.00  0.00           C  
HETATM   50  C   UNL     1     -16.156  -2.503  -2.237  1.00  0.00           C  
HETATM   51  C   UNL     1     -15.047  -3.319  -2.100  1.00  0.00           C  
HETATM   52  C   UNL     1     -13.893  -2.832  -1.516  1.00  0.00           C  
HETATM   53  C   UNL     1     -13.844  -1.509  -1.062  1.00  0.00           C  
HETATM   54  C   UNL     1     -14.965  -0.687  -1.202  1.00  0.00           C  
HETATM   55  F   UNL     1     -14.926   0.593  -0.772  1.00  0.00           F  
HETATM   56  F   UNL     1     -12.813  -3.633  -1.384  1.00  0.00           F  
HETATM   57  C   UNL     1     -12.613  -0.985  -0.439  1.00  0.00           C  
HETATM   58  C   UNL     1     -12.371  -1.191   0.995  1.00  0.00           C  
HETATM   59  O   UNL     1     -11.799  -0.381  -1.113  1.00  0.00           O  
HETATM   60  C   UNL     1     -11.254  -0.648   1.789  1.00  0.00           C  
HETATM   61  C   UNL     1     -11.448  -1.115   3.102  1.00  0.00           C  
HETATM   62  N   UNL     1     -12.594  -1.880   3.099  1.00  0.00           N  
HETATM   63  C   UNL     1     -13.138  -1.919   1.858  1.00  0.00           C  
HETATM   64  C   UNL     1     -10.159   0.159   1.499  1.00  0.00           C  
HETATM   65  C   UNL     1      -9.285   0.475   2.539  1.00  0.00           C  
HETATM   66  C   UNL     1      -9.542  -0.025   3.817  1.00  0.00           C  
HETATM   67  N   UNL     1     -10.588  -0.785   4.057  1.00  0.00           N  
HETATM   68  C   UNL     1      -8.099   1.332   2.291  1.00  0.00           C  
HETATM   69  C   UNL     1      -7.231   1.643   3.336  1.00  0.00           C  
HETATM   70  C   UNL     1      -6.129   2.440   3.099  1.00  0.00           C  
HETATM   71  C   UNL     1      -5.885   2.928   1.828  1.00  0.00           C  
HETATM   72  C   UNL     1      -6.743   2.622   0.788  1.00  0.00           C  
HETATM   73  C   UNL     1      -7.846   1.822   1.012  1.00  0.00           C  
HETATM   74  O   UNL     1       2.102   4.908  -0.140  1.00  0.00           O  
HETATM   75  O   UNL     1      -2.217   4.725   0.994  1.00  0.00           O  
HETATM   76  H   UNL     1      14.627  -4.312   2.215  1.00  0.00           H  
HETATM   77  H   UNL     1      14.207  -1.578  -1.885  1.00  0.00           H  
HETATM   78  H   UNL     1       7.430   2.263  -3.987  1.00  0.00           H  
HETATM   79  H   UNL     1      18.753  -4.423  -2.200  1.00  0.00           H  
HETATM   80  H   UNL     1      19.605  -3.001  -2.849  1.00  0.00           H  
HETATM   81  H   UNL     1      20.522  -4.458  -2.395  1.00  0.00           H  
HETATM   82  H   UNL     1      19.895  -4.112  -0.021  1.00  0.00           H  
HETATM   83  H   UNL     1      20.747  -2.691  -0.670  1.00  0.00           H  
HETATM   84  H   UNL     1      18.572  -1.573  -1.079  1.00  0.00           H  
HETATM   85  H   UNL     1      17.720  -2.994  -0.430  1.00  0.00           H  
HETATM   86  H   UNL     1      17.569   0.117   1.751  1.00  0.00           H  
HETATM   87  H   UNL     1      16.852  -3.273   2.335  1.00  0.00           H  
HETATM   88  H   UNL     1      13.114  -1.123  -4.121  1.00  0.00           H  
HETATM   89  H   UNL     1      10.048   1.018  -0.325  1.00  0.00           H  
HETATM   90  H   UNL     1       8.916   1.337  -4.449  1.00  0.00           H  
HETATM   91  H   UNL     1       5.411   3.512  -3.342  1.00  0.00           H  
HETATM   92  H   UNL     1       6.504   3.189   0.768  1.00  0.00           H  
HETATM   93  H   UNL     1       8.535   1.952   0.141  1.00  0.00           H  
HETATM   94  H   UNL     1       4.790   4.749   0.057  1.00  0.00           H  
HETATM   95  H   UNL     1       4.334   4.883  -1.659  1.00  0.00           H  
HETATM   96  H   UNL     1       3.637   2.301  -0.752  1.00  0.00           H  
HETATM   97  H   UNL     1       0.953   2.194  -0.971  1.00  0.00           H  
HETATM   98  H   UNL     1       1.409   2.060   0.744  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.412   2.094  -0.350  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.956   1.960   1.365  1.00  0.00           H  
HETATM  101  H   UNL     1      -3.643   1.993   1.158  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.441   4.358   2.480  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.897   4.492   0.765  1.00  0.00           H  
HETATM  104  H   UNL     1     -19.437  -3.621   1.702  1.00  0.00           H  
HETATM  105  H   UNL     1     -20.036  -2.056   2.303  1.00  0.00           H  
HETATM  106  H   UNL     1     -21.187  -3.309   1.780  1.00  0.00           H  
HETATM  107  H   UNL     1     -20.351  -3.106  -0.545  1.00  0.00           H  
HETATM  108  H   UNL     1     -20.950  -1.542   0.056  1.00  0.00           H  
HETATM  109  H   UNL     1     -18.630  -0.868   0.614  1.00  0.00           H  
HETATM  110  H   UNL     1     -18.030  -2.432   0.013  1.00  0.00           H  
HETATM  111  H   UNL     1     -17.132   0.577  -2.131  1.00  0.00           H  
HETATM  112  H   UNL     1     -17.055  -2.890  -2.694  1.00  0.00           H  
HETATM  113  H   UNL     1     -15.084  -4.340  -2.449  1.00  0.00           H  
HETATM  114  H   UNL     1     -12.963  -2.324   3.878  1.00  0.00           H  
HETATM  115  H   UNL     1     -14.038  -2.452   1.591  1.00  0.00           H  
HETATM  116  H   UNL     1      -9.990   0.528   0.498  1.00  0.00           H  
HETATM  117  H   UNL     1      -8.868   0.218   4.626  1.00  0.00           H  
HETATM  118  H   UNL     1      -7.420   1.263   4.328  1.00  0.00           H  
HETATM  119  H   UNL     1      -5.455   2.682   3.908  1.00  0.00           H  
HETATM  120  H   UNL     1      -6.548   3.006  -0.203  1.00  0.00           H  
HETATM  121  H   UNL     1      -8.513   1.580   0.198  1.00  0.00           H  
CONECT    1   17   17   16   76                                       
CONECT    2   18   18   15   19                                       
CONECT    3    5    5   23   21                                       
CONECT    4   24   27   27   23                                       
CONECT    5   24    3    3   77                                       
CONECT    6   26   26   25   28                                       
CONECT    7   28   29   29   78                                       
CONECT    8    9   79   80   81                                       
CONECT    9    8   10   82   83                                       
CONECT   10    9   11   84   85                                       
CONECT   11   10   12   13   13                                       
CONECT   11   14   14                                                 
CONECT   12   11   15   86                                            
CONECT   13   11   11                                                 
CONECT   14   11   11                                                 
CONECT   15   16   16    2   12                                       
CONECT   16    1   15   15   87                                       
CONECT   17   20    1    1   18                                       
CONECT   18   17   21    2    2                                       
CONECT   19    2                                                      
CONECT   20   17                                                      
CONECT   21    3   18   22   22                                       
CONECT   22   21   21                                                 
CONECT   23    4    3   25   25                                       
CONECT   24    4    5   88                                            
CONECT   25   23   23    6   89                                       
CONECT   26   27    6    6   90                                       
CONECT   27    4    4   26                                            
CONECT   28    6   32   32    7                                       
CONECT   29    7    7   30   91                                       
CONECT   30   31   31   29   33                                       
CONECT   31   32   30   30   92                                       
CONECT   32   28   28   31   93                                       
CONECT   33   30   34   94   95                                       
CONECT   34   35   33   96                                            
CONECT   35   74   74   36   34                                       
CONECT   36   37   35   97   98                                       
CONECT   37   36   38                                                 
CONECT   38   37   39   99  100                                       
CONECT   39   75   75   38   40                                       
CONECT   40   39   41  101                                            
CONECT   41   71   40  102  103                                       
CONECT   42   43  104  105  106                                       
CONECT   43   42   44  107  108                                       
CONECT   44   43   45  109  110                                       
CONECT   45   44   47   47   46                                       
CONECT   45   48   48                                                 
CONECT   46   45   49  111                                            
CONECT   47   45   45                                                 
CONECT   48   45   45                                                 
CONECT   49   50   54   54   46                                       
CONECT   50   51   51   49  112                                       
CONECT   51   50   50   52  113                                       
CONECT   52   51   56   53   53                                       
CONECT   53   52   52   54   57                                       
CONECT   54   49   49   53   55                                       
CONECT   55   54                                                      
CONECT   56   52                                                      
CONECT   57   58   53   59   59                                       
CONECT   58   63   63   60   57                                       
CONECT   59   57   57                                                 
CONECT   60   61   58   64   64                                       
CONECT   61   62   67   67   60                                       
CONECT   62   63   61  114                                            
CONECT   63   62   58   58  115                                       
CONECT   64   60   60   65  116                                       
CONECT   65   66   66   64   68                                       
CONECT   66   67   65   65  117                                       
CONECT   67   61   61   66                                            
CONECT   68   65   73   73   69                                       
CONECT   69   68   70   70  118                                       
CONECT   70   69   69   71  119                                       
CONECT   71   72   72   70   41                                       
CONECT   72   73   71   71  120                                       
CONECT   73   68   68   72  121                                       
CONECT   74   35   35                                                 
CONECT   75   39   39                                                 
CONECT   76    1                                                      
CONECT   77    5                                                      
CONECT   78    7                                                      
CONECT   79    8                                                      
CONECT   80    8                                                      
CONECT   81    8                                                      
CONECT   82    9                                                      
CONECT   83    9                                                      
CONECT   84   10                                                      
CONECT   85   10                                                      
CONECT   86   12                                                      
CONECT   87   16                                                      
CONECT   88   24                                                      
CONECT   89   25                                                      
CONECT   90   26                                                      
CONECT   91   29                                                      
CONECT   92   31                                                      
CONECT   93   32                                                      
CONECT   94   33                                                      
CONECT   95   33                                                      
CONECT   96   34                                                      
CONECT   97   36                                                      
CONECT   98   36                                                      
CONECT   99   38                                                      
CONECT  100   38                                                      
CONECT  101   40                                                      
CONECT  102   41                                                      
CONECT  103   41                                                      
CONECT  104   42                                                      
CONECT  105   42                                                      
CONECT  106   42                                                      
CONECT  107   43                                                      
CONECT  108   43                                                      
CONECT  109   44                                                      
CONECT  110   44                                                      
CONECT  111   46                                                      
CONECT  112   50                                                      
CONECT  113   51                                                      
CONECT  114   62                                                      
CONECT  115   63                                                      
CONECT  116   64                                                      
CONECT  117   66                                                      
CONECT  118   69                                                      
CONECT  119   70                                                      
CONECT  120   72                                                      
CONECT  121   73                                                      
MASTER        0    0    0    0    0    0    0    0  121    0  121    0
END
