COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.390   3.658   1.645  1.00  0.00           C  
HETATM    2  C   UNL     1       2.925   2.559  -2.251  1.00  0.00           C  
HETATM    3  C   UNL     1       1.654   2.839  -1.446  1.00  0.00           C  
HETATM    4  C   UNL     1       1.066   1.519  -0.946  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.074  -2.614   1.236  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.419   2.155   1.820  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.331   1.507  -2.186  1.00  0.00           O  
HETATM    8  N   UNL     1       3.177  -2.658  -2.942  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.655   3.869   0.301  1.00  0.00           C  
HETATM   10  N   UNL     1       3.088   0.197  -0.416  1.00  0.00           N  
HETATM   11  C   UNL     1      -7.363  -4.640   0.546  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.762  -2.455  -0.599  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.698  -3.972  -0.790  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.010  -4.131   1.045  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.216   1.775  -0.285  1.00  0.00           N  
HETATM   16  N   UNL     1      -5.148   1.548   0.652  1.00  0.00           N  
HETATM   17  C   UNL     1      -6.408  -1.946  -0.100  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.472  -0.430   0.091  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.086   0.096   0.470  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.921   2.527  -0.417  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.705   2.125  -1.254  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.355   1.792  -1.005  1.00  0.00           C  
HETATM   23  O   UNL     1      -5.652   1.582   2.864  1.00  0.00           O  
HETATM   24  O   UNL     1       1.865  -1.360  -1.622  1.00  0.00           O  
HETATM   25  C   UNL     1       2.563   1.798  -3.527  1.00  0.00           C  
HETATM   26  C   UNL     1       3.597   3.883  -2.620  1.00  0.00           C  
HETATM   27  C   UNL     1       2.018   0.883   0.033  1.00  0.00           C  
HETATM   28  C   UNL     1       3.946  -0.522   0.529  1.00  0.00           C  
HETATM   29  C   UNL     1       4.655  -1.668  -0.196  1.00  0.00           C  
HETATM   30  C   UNL     1       3.623  -2.706  -0.641  1.00  0.00           C  
HETATM   31  C   UNL     1       2.775  -2.149  -1.764  1.00  0.00           C  
HETATM   32  C   UNL     1       4.308  -3.576  -2.768  1.00  0.00           C  
HETATM   33  C   UNL     1       4.323  -3.931  -1.265  1.00  0.00           C  
HETATM   34  C   UNL     1       4.988   0.439   1.105  1.00  0.00           C  
HETATM   35  O   UNL     1      -2.519   2.127  -0.417  1.00  0.00           O  
HETATM   36  O   UNL     1       4.329   1.575   1.669  1.00  0.00           O  
HETATM   37  O   UNL     1       1.822   0.988   1.225  1.00  0.00           O  
HETATM   38  H   UNL     1      -6.404   4.055   1.592  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.838   4.126   2.460  1.00  0.00           H  
HETATM   40  H   UNL     1       3.610   1.959  -1.651  1.00  0.00           H  
HETATM   41  H   UNL     1       1.896   3.475  -0.594  1.00  0.00           H  
HETATM   42  H   UNL     1       0.926   3.345  -2.081  1.00  0.00           H  
HETATM   43  H   UNL     1       0.911   0.847  -1.791  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.845  -2.372   1.967  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.109  -2.252   1.592  1.00  0.00           H  
HETATM   46  H   UNL     1       2.769  -2.447  -3.796  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.087   4.701  -0.254  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.587   4.021   0.461  1.00  0.00           H  
HETATM   49  H   UNL     1       3.290   0.179  -1.364  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.135  -4.398   1.276  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.317  -5.720   0.410  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.000  -1.980  -1.551  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.533  -2.213   0.131  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.926  -4.214  -1.520  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.662  -4.335  -1.146  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.238  -4.373   0.315  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.771  -4.607   1.997  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.245   1.931   0.672  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.637  -2.189  -0.830  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.797   0.040  -0.838  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.181  -0.193   0.885  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.378  -0.141  -0.324  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.761  -0.373   1.399  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.805   2.607  -1.049  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.860   1.126  -1.663  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.575   2.835  -2.071  1.00  0.00           H  
HETATM   67  H   UNL     1       3.474   1.539  -4.067  1.00  0.00           H  
HETATM   68  H   UNL     1       2.024   0.887  -3.266  1.00  0.00           H  
HETATM   69  H   UNL     1       1.932   2.425  -4.158  1.00  0.00           H  
HETATM   70  H   UNL     1       3.855   4.426  -1.711  1.00  0.00           H  
HETATM   71  H   UNL     1       4.502   3.684  -3.194  1.00  0.00           H  
HETATM   72  H   UNL     1       2.912   4.484  -3.219  1.00  0.00           H  
HETATM   73  H   UNL     1       3.338  -0.925   1.339  1.00  0.00           H  
HETATM   74  H   UNL     1       5.178  -1.277  -1.069  1.00  0.00           H  
HETATM   75  H   UNL     1       5.373  -2.135   0.478  1.00  0.00           H  
HETATM   76  H   UNL     1       3.001  -3.009   0.201  1.00  0.00           H  
HETATM   77  H   UNL     1       4.159  -4.475  -3.366  1.00  0.00           H  
HETATM   78  H   UNL     1       5.240  -3.085  -3.049  1.00  0.00           H  
HETATM   79  H   UNL     1       5.344  -4.029  -0.893  1.00  0.00           H  
HETATM   80  H   UNL     1       3.754  -4.842  -1.079  1.00  0.00           H  
HETATM   81  H   UNL     1       5.659   0.766   0.311  1.00  0.00           H  
HETATM   82  S   UNL     1       5.944  -0.407   2.394  1.00  0.00           S  
HETATM   83  H   UNL     1       3.798   2.076   1.035  1.00  0.00           H  
HETATM   84  O   UNL     1       5.087  -1.177   3.225  1.00  0.00           O  
HETATM   85  O   UNL     1       6.766  -1.442   1.640  1.00  0.00           O  
HETATM   86  O   UNL     1       6.913   0.470   2.953  1.00  0.00           O  
HETATM   87  H   UNL     1       7.336  -1.980   2.206  1.00  0.00           H  
CONECT    1    6    9   38   39                                       
CONECT    2   25    3   26   40                                       
CONECT    3    4    2   41   42                                       
CONECT    4   15   27    3   43                                       
CONECT    5   17   14   44   45                                       
CONECT    6   23   23    1   16                                       
CONECT    7   22   22                                                 
CONECT    8   31   32   46                                            
CONECT    9    1   20   47   48                                       
CONECT   10   28   27   49                                            
CONECT   11   13   14   50   51                                       
CONECT   12   13   17   52   53                                       
CONECT   13   12   11   54   55                                       
CONECT   14   11    5   56   57                                       
CONECT   15   22    4   58                                            
CONECT   16    6   19   20                                            
CONECT   17   12   18    5   59                                       
CONECT   18   19   17   60   61                                       
CONECT   19   16   18   62   63                                       
CONECT   20   16    9   21   64                                       
CONECT   21   20   35   65   66                                       
CONECT   22    7    7   35   15                                       
CONECT   23    6    6                                                 
CONECT   24   31   31                                                 
CONECT   25    2   67   68   69                                       
CONECT   26    2   70   71   72                                       
CONECT   27    4   10   37   37                                       
CONECT   28   29   10   34   73                                       
CONECT   29   30   28   74   75                                       
CONECT   30   31   29   33   76                                       
CONECT   31   24   24    8   30                                       
CONECT   32    8   33   77   78                                       
CONECT   33   30   32   79   80                                       
CONECT   34   28   36   81   82                                       
CONECT   35   21   22                                                 
CONECT   36   34   83                                                 
CONECT   37   27   27                                                 
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   34   84   84   85                                       
CONECT   82   86   86                                                 
CONECT   83   36                                                      
CONECT   84   82   82                                                 
CONECT   85   82   87                                                 
CONECT   86   82   82                                                 
CONECT   87   85                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
