COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.804  -0.565  -0.255  1.00  0.00           C  
HETATM    2  C   UNL     1       4.848  -0.485   0.861  1.00  0.00           C  
HETATM    3  C   UNL     1       4.448   0.605   1.857  1.00  0.00           C  
HETATM    4  C   UNL     1       5.468   0.705   2.970  1.00  0.00           C  
HETATM    5  C   UNL     1       5.006   2.889   2.330  1.00  0.00           C  
HETATM    6  C   UNL     1       4.487   1.996   1.182  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.135   0.738  -0.599  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.207   1.407   0.116  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.108   0.271   0.137  1.00  0.00           C  
HETATM   10  C   UNL     1       0.033  -0.875   0.330  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.112  -2.398   0.326  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.406  -2.789   1.042  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.622  -4.298   0.918  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.307  -2.407   2.520  1.00  0.00           C  
HETATM   15  C   UNL     1       1.368  -0.496  -0.258  1.00  0.00           C  
HETATM   16  C   UNL     1       4.229  -1.621  -1.277  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.679   2.619  -0.691  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.565   3.630  -0.777  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.442   4.608   0.192  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.420   5.535   0.113  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.520   5.484  -0.935  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.643   4.506  -1.904  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.662   3.576  -1.823  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.374   0.438   0.310  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.943  -0.702   1.235  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.110  -1.672   1.429  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.527  -2.245   0.073  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.959  -1.106  -0.852  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.792  -0.136  -1.046  1.00  0.00           C  
HETATM   30  F   UNL     1      -7.595  -3.132   0.250  1.00  0.00           F  
HETATM   31  F   UNL     1      -5.446  -2.925  -0.498  1.00  0.00           F  
HETATM   32  N   UNL     1      -1.039  -0.280  -0.471  1.00  0.00           N  
HETATM   33  N   UNL     1       2.506  -0.933   0.317  1.00  0.00           N  
HETATM   34  N   UNL     1       5.766   1.993   3.211  1.00  0.00           N  
HETATM   35  O   UNL     1      -2.145   0.347   1.349  1.00  0.00           O  
HETATM   36  O   UNL     1       5.946  -0.241   3.560  1.00  0.00           O  
HETATM   37  O   UNL     1       3.213  -1.756  -2.273  1.00  0.00           O  
HETATM   38  O   UNL     1       1.419   0.202  -1.249  1.00  0.00           O  
HETATM   39  H   UNL     1       3.723   0.405  -0.746  1.00  0.00           H  
HETATM   40  H   UNL     1       4.904  -1.444   1.375  1.00  0.00           H  
HETATM   41  H   UNL     1       5.821  -0.246   0.431  1.00  0.00           H  
HETATM   42  H   UNL     1       3.456   0.405   2.262  1.00  0.00           H  
HETATM   43  H   UNL     1       5.656   3.671   1.936  1.00  0.00           H  
HETATM   44  H   UNL     1       4.170   3.332   2.871  1.00  0.00           H  
HETATM   45  H   UNL     1       5.179   2.001   0.340  1.00  0.00           H  
HETATM   46  H   UNL     1       3.490   2.305   0.867  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.844   1.738   1.089  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.031  -0.506   1.354  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.142  -2.758  -0.702  1.00  0.00           H  
HETATM   50  H   UNL     1       0.738  -2.845   0.842  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.246  -2.263   0.587  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.783  -4.824   1.373  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.545  -4.576   1.428  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.693  -4.570  -0.135  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.468  -2.933   2.975  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.153  -1.332   2.609  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.230  -2.685   3.030  1.00  0.00           H  
HETATM   58  H   UNL     1       4.373  -2.577  -0.773  1.00  0.00           H  
HETATM   59  S   UNL     1       5.782  -1.111  -2.062  1.00  0.00           S  
HETATM   60  H   UNL     1      -4.959   2.300  -1.695  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.541   3.069  -0.199  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.145   4.647   1.011  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.324   6.299   0.870  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.722   6.209  -0.997  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.940   4.467  -2.724  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.755   2.809  -2.578  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.217   0.967   0.755  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.100  -1.232   0.789  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.645  -0.294   2.201  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.802  -2.484   2.087  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.952  -1.142   1.874  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.256  -1.514  -1.818  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.801  -0.576  -0.407  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.099   0.676  -1.705  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.949  -0.666  -1.491  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.980  -0.283  -1.440  1.00  0.00           H  
HETATM   77  H   UNL     1       2.466  -1.491   1.109  1.00  0.00           H  
HETATM   78  H   UNL     1       6.401   2.293   3.880  1.00  0.00           H  
HETATM   79  H   UNL     1       2.353  -2.027  -1.923  1.00  0.00           H  
HETATM   80  O   UNL     1       6.209  -2.086  -3.003  1.00  0.00           O  
HETATM   81  O   UNL     1       5.739   0.268  -2.405  1.00  0.00           O  
HETATM   82  O   UNL     1       6.815  -1.188  -0.947  1.00  0.00           O  
HETATM   83  H   UNL     1       7.709  -0.940  -1.221  1.00  0.00           H  
CONECT    1    2   33   16   39                                       
CONECT    2    3    1   40   41                                       
CONECT    3    4    2    6   42                                       
CONECT    4   36   36   34    3                                       
CONECT    5   34    6   43   44                                       
CONECT    6    3    5   45   46                                       
CONECT    7    8    9                                                 
CONECT    8   24   17    7   47                                       
CONECT    9   35   35    7   32                                       
CONECT   10   32   15   11   48                                       
CONECT   11   10   12   49   50                                       
CONECT   12   13   11   14   51                                       
CONECT   13   12   52   53   54                                       
CONECT   14   12   55   56   57                                       
CONECT   15   33   10   38   38                                       
CONECT   16    1   37   58   59                                       
CONECT   17    8   18   60   61                                       
CONECT   18   17   23   23   19                                       
CONECT   19   18   20   20   62                                       
CONECT   20   19   19   21   63                                       
CONECT   21   22   22   20   64                                       
CONECT   22   23   21   21   65                                       
CONECT   23   18   18   22   66                                       
CONECT   24   25   29    8   67                                       
CONECT   25   26   24   68   69                                       
CONECT   26   27   25   70   71                                       
CONECT   27   31   30   26   28                                       
CONECT   28   27   29   72   73                                       
CONECT   29   28   24   74   75                                       
CONECT   30   27                                                      
CONECT   31   27                                                      
CONECT   32    9   10   76                                            
CONECT   33    1   15   77                                            
CONECT   34    4    5   78                                            
CONECT   35    9    9                                                 
CONECT   36    4    4                                                 
CONECT   37   16   79                                                 
CONECT   38   15   15                                                 
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   16                                                      
CONECT   59   16   80   80   81                                       
CONECT   59   81   82                                                 
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   37                                                      
CONECT   80   59   59                                                 
CONECT   81   59   59                                                 
CONECT   82   59   83                                                 
CONECT   83   82                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
