COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.397  -0.408   0.318  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.322   4.751   0.320  1.00  0.00           C  
HETATM    3  C   UNL     1       4.686  -3.264   2.578  1.00  0.00           C  
HETATM    4  C   UNL     1       3.680  -2.925   0.316  1.00  0.00           C  
HETATM    5  O   UNL     1      -2.803  -1.846  -1.185  1.00  0.00           O  
HETATM    6  O   UNL     1       4.051   1.309   2.723  1.00  0.00           O  
HETATM    7  O   UNL     1       2.744   2.179   0.777  1.00  0.00           O  
HETATM    8  O   UNL     1       0.307   1.164   1.150  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.191  -0.710  -4.569  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.603   0.167  -3.583  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.906  -1.219  -4.549  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.729   0.536  -2.578  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.032  -0.849  -3.544  1.00  0.00           C  
HETATM   14  C   UNL     1       4.985   1.532  -0.952  1.00  0.00           C  
HETATM   15  C   UNL     1       6.115   1.476  -1.745  1.00  0.00           C  
HETATM   16  C   UNL     1       6.238   0.698   0.915  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.201   3.635   0.373  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.483   2.423   0.969  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.198  -0.463   2.218  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.397  -3.173   0.382  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.490   0.433  -1.463  1.00  0.00           C  
HETATM   22  C   UNL     1       3.157  -1.331   2.168  1.00  0.00           C  
HETATM   23  C   UNL     1       1.831  -0.449   0.192  1.00  0.00           C  
HETATM   24  N   UNL     1       8.593   0.864  -1.741  1.00  0.00           N  
HETATM   25  N   UNL     1      10.659   0.100  -0.841  1.00  0.00           N  
HETATM   26  N   UNL     1      -1.956  -0.426   0.297  1.00  0.00           N  
HETATM   27  O   UNL     1      -8.558   3.652   0.822  1.00  0.00           O  
HETATM   28  O   UNL     1      -7.065   1.224   0.455  1.00  0.00           O  
HETATM   29  O   UNL     1      -7.186  -1.902   2.119  1.00  0.00           O  
HETATM   30  O   UNL     1      -6.813  -3.450   0.400  1.00  0.00           O  
HETATM   31  O   UNL     1      -4.213  -1.016   0.314  1.00  0.00           O  
HETATM   32  O   UNL     1       8.651   0.252   0.384  1.00  0.00           O  
HETATM   33  C   UNL     1      -2.984  -1.122  -0.226  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.443   0.029  -2.558  1.00  0.00           C  
HETATM   35  C   UNL     1       5.047   1.143   0.374  1.00  0.00           C  
HETATM   36  C   UNL     1       9.391   0.383  -0.734  1.00  0.00           C  
HETATM   37  C   UNL     1       7.313   1.030  -1.209  1.00  0.00           C  
HETATM   38  C   UNL     1       7.377   0.638   0.127  1.00  0.00           C  
HETATM   39  C   UNL     1       4.240  -2.220   1.553  1.00  0.00           C  
HETATM   40  C   UNL     1       0.434  -0.207   0.768  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.618  -0.542  -0.290  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.464   0.026   0.951  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.273  -1.794  -0.301  1.00  0.00           C  
HETATM   44  N   UNL     1       2.834  -0.244   1.241  1.00  0.00           N  
HETATM   45  C   UNL     1      -7.448  -2.197   0.731  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.643  -1.127  -0.060  1.00  0.00           C  
HETATM   47  S   UNL     1       3.601   1.217   1.378  1.00  0.00           S  
HETATM   48  H   UNL     1      11.358   0.325   1.123  1.00  0.00           H  
HETATM   49  H   UNL     1      10.946  -1.342   0.655  1.00  0.00           H  
HETATM   50  H   UNL     1      12.435  -0.586   0.038  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.340   4.691   0.706  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.866   5.687   0.641  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.344   4.711  -0.769  1.00  0.00           H  
HETATM   54  H   UNL     1       5.457  -3.898   2.140  1.00  0.00           H  
HETATM   55  H   UNL     1       5.085  -2.762   3.459  1.00  0.00           H  
HETATM   56  H   UNL     1       3.832  -3.878   2.866  1.00  0.00           H  
HETATM   57  H   UNL     1       3.493  -2.191  -0.468  1.00  0.00           H  
HETATM   58  H   UNL     1       4.401  -3.662  -0.040  1.00  0.00           H  
HETATM   59  H   UNL     1       2.747  -3.426   0.575  1.00  0.00           H  
HETATM   60  H   UNL     1       0.427   1.788   0.421  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.875  -1.003  -5.352  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.607   0.564  -3.599  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.584  -1.904  -5.319  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.050   1.222  -1.808  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.027  -1.246  -3.528  1.00  0.00           H  
HETATM   66  H   UNL     1       4.052   1.883  -1.368  1.00  0.00           H  
HETATM   67  H   UNL     1       6.065   1.779  -2.781  1.00  0.00           H  
HETATM   68  H   UNL     1       6.281   0.396   1.951  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.701   4.549   0.696  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.179   3.573  -0.715  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.427   2.458   0.700  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.582   2.439   2.054  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.222  -0.091   2.231  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.665  -0.140   3.113  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.006  -3.129   1.399  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.869  -3.932  -0.196  1.00  0.00           H  
HETATM   77  H   UNL     1       0.531   0.411  -1.843  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.731   1.441  -1.125  1.00  0.00           H  
HETATM   79  H   UNL     1       2.263  -1.926   2.356  1.00  0.00           H  
HETATM   80  H   UNL     1       3.520  -0.913   3.106  1.00  0.00           H  
HETATM   81  H   UNL     1       1.899  -1.471  -0.180  1.00  0.00           H  
HETATM   82  H   UNL     1       2.013   0.249  -0.625  1.00  0.00           H  
HETATM   83  H   UNL     1       8.866   1.052  -2.653  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.101   0.152   1.062  1.00  0.00           H  
HETATM   85  H   UNL     1       5.094  -1.606   1.265  1.00  0.00           H  
HETATM   86  H   UNL     1       0.287  -0.843   1.641  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.465  -1.561  -0.646  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.407   0.190   1.161  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.087  -1.913  -1.369  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.512  -2.194   0.497  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.128  -0.809  -0.983  1.00  0.00           H  
CONECT    1   25   48   49   50                                       
CONECT    2   27   51   52   53                                       
CONECT    3   39   54   55   56                                       
CONECT    4   39   57   58   59                                       
CONECT    5   33   33                                                 
CONECT    6   47   47                                                 
CONECT    7   47   47                                                 
CONECT    8   40   60                                                 
CONECT    9   10   10   11   61                                       
CONECT   10    9    9   12   62                                       
CONECT   11    9   13   13   63                                       
CONECT   12   10   34   34   64                                       
CONECT   13   11   11   34   65                                       
CONECT   14   15   15   35   66                                       
CONECT   15   14   14   37   67                                       
CONECT   16   35   35   38   68                                       
CONECT   17   18   27   69   70                                       
CONECT   18   17   28   71   72                                       
CONECT   19   29   42   73   74                                       
CONECT   20   30   43   75   76                                       
CONECT   21   34   41   77   78                                       
CONECT   22   39   44   79   80                                       
CONECT   23   40   44   81   82                                       
CONECT   24   36   37   83                                            
CONECT   25    1   36   36                                            
CONECT   26   33   41   84                                            
CONECT   27    2   17                                                 
CONECT   28   18   42                                                 
CONECT   29   19   45                                                 
CONECT   30   20   45                                                 
CONECT   31   33   43                                                 
CONECT   32   36   38                                                 
CONECT   33    5    5   26   31                                       
CONECT   34   12   12   13   21                                       
CONECT   35   14   16   16   47                                       
CONECT   36   24   25   25   32                                       
CONECT   37   15   24   38   38                                       
CONECT   38   16   32   37   37                                       
CONECT   39    3    4   22   85                                       
CONECT   40    8   23   41   86                                       
CONECT   41   21   26   40   87                                       
CONECT   42   19   28   46   88                                       
CONECT   43   20   31   46   89                                       
CONECT   44   22   23   47                                            
CONECT   45   29   30   46   90                                       
CONECT   46   42   43   45   91                                       
CONECT   47    6    6    7    7                                       
CONECT   47   35   44                                                 
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    2                                                      
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    3                                                      
CONECT   57    4                                                      
CONECT   58    4                                                      
CONECT   59    4                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   17                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   18                                                      
CONECT   73   19                                                      
CONECT   74   19                                                      
CONECT   75   20                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   21                                                      
CONECT   79   22                                                      
CONECT   80   22                                                      
CONECT   81   23                                                      
CONECT   82   23                                                      
CONECT   83   24                                                      
CONECT   84   26                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
CONECT   87   41                                                      
CONECT   88   42                                                      
CONECT   89   43                                                      
CONECT   90   45                                                      
CONECT   91   46                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
