COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.061  -3.449  -0.159  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.357  -3.615  -0.643  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.111  -2.503  -0.972  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.587  -1.227  -0.825  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.309  -1.061  -0.336  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.546  -2.174  -0.009  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.467  -0.062  -1.237  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.577   1.151  -1.419  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.801   1.326  -0.075  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.682   0.301  -0.112  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.528  -4.680   0.092  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.651  -5.580   0.148  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.635  -4.950  -0.695  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.266   2.477  -1.548  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.522   3.407  -0.905  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.356   2.786  -0.259  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.488   0.212  -0.162  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.738   0.691  -0.504  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.680   0.944   0.482  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.364   0.715   1.816  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.106   0.233   2.156  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.172  -0.023   1.163  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.306   2.681  -2.127  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.792   0.007   3.460  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.481  -0.489   3.736  1.00  0.00           C  
HETATM   26  O   UNL     1      -7.285   0.963   2.787  1.00  0.00           O  
HETATM   27  O   UNL     1      -7.909   1.416   0.145  1.00  0.00           O  
HETATM   28  C   UNL     1      -8.163   1.629  -1.245  1.00  0.00           C  
HETATM   29  O   UNL     1       0.216   0.603  -1.181  1.00  0.00           O  
HETATM   30  C   UNL     1       1.558   0.167  -0.954  1.00  0.00           C  
HETATM   31  O   UNL     1       2.111   0.889   0.152  1.00  0.00           O  
HETATM   32  C   UNL     1       3.449   0.508   0.463  1.00  0.00           C  
HETATM   33  C   UNL     1       4.350   0.829  -0.737  1.00  0.00           C  
HETATM   34  C   UNL     1       3.854   0.035  -1.946  1.00  0.00           C  
HETATM   35  C   UNL     1       2.393   0.417  -2.212  1.00  0.00           C  
HETATM   36  C   UNL     1       3.974   1.271   1.679  1.00  0.00           C  
HETATM   37  O   UNL     1       5.350   0.919   1.872  1.00  0.00           O  
HETATM   38  C   UNL     1       6.187   1.175   0.744  1.00  0.00           C  
HETATM   39  O   UNL     1       5.692   0.477  -0.404  1.00  0.00           O  
HETATM   40  C   UNL     1       7.588   0.709   1.046  1.00  0.00           C  
HETATM   41  S   UNL     1       8.469  -0.513   0.138  1.00  0.00           S  
HETATM   42  C   UNL     1       9.864  -0.335   1.194  1.00  0.00           C  
HETATM   43  C   UNL     1       9.607   0.586   2.124  1.00  0.00           C  
HETATM   44  C   UNL     1       8.353   1.166   2.039  1.00  0.00           C  
HETATM   45  O   UNL     1       4.650   0.355  -3.089  1.00  0.00           O  
HETATM   46  O   UNL     1       1.882  -0.375  -3.286  1.00  0.00           O  
HETATM   47  H   UNL     1      -4.115  -2.630  -1.348  1.00  0.00           H  
HETATM   48  H   UNL     1       0.459  -2.044   0.364  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.972  -0.293  -2.175  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.882   0.990  -2.243  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.444   1.194   0.795  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.144   0.309   0.836  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.378  -6.558  -0.250  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.019  -5.671   1.170  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.156   3.252   0.706  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.481   2.844  -0.905  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.982   0.869  -1.541  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.195  -0.402   1.426  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.340  -1.445   3.231  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.740   0.225   3.375  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.362  -0.624   4.811  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.850   0.206   2.996  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.453   2.356  -1.638  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.054   0.687  -1.783  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.178   2.006  -1.376  1.00  0.00           H  
HETATM   66  H   UNL     1       1.559  -0.899  -0.727  1.00  0.00           H  
HETATM   67  H   UNL     1       3.483  -0.563   0.665  1.00  0.00           H  
HETATM   68  H   UNL     1       4.297   1.896  -0.956  1.00  0.00           H  
HETATM   69  H   UNL     1       3.922  -1.032  -1.736  1.00  0.00           H  
HETATM   70  H   UNL     1       2.337   1.472  -2.481  1.00  0.00           H  
HETATM   71  H   UNL     1       3.890   2.343   1.505  1.00  0.00           H  
HETATM   72  H   UNL     1       3.397   0.995   2.562  1.00  0.00           H  
HETATM   73  H   UNL     1       6.200   2.245   0.538  1.00  0.00           H  
HETATM   74  H   UNL     1      10.788  -0.888   1.103  1.00  0.00           H  
HETATM   75  H   UNL     1      10.324   0.861   2.883  1.00  0.00           H  
HETATM   76  H   UNL     1       8.018   1.928   2.727  1.00  0.00           H  
HETATM   77  H   UNL     1       4.389  -0.115  -3.893  1.00  0.00           H  
HETATM   78  H   UNL     1       0.961  -0.185  -3.512  1.00  0.00           H  
CONECT    1    2    2    6   11                                       
CONECT    2    1    1    3   13                                       
CONECT    3    2    4    4   47                                       
CONECT    4    3    3    5    7                                       
CONECT    5    4    6    6   10                                       
CONECT    6    1    5    5   48                                       
CONECT    7    4    8   17   49                                       
CONECT    8    7    9   14   50                                       
CONECT    9    8   10   16   51                                       
CONECT   10    5    9   29   52                                       
CONECT   11    1   12                                                 
CONECT   12   11   13   53   54                                       
CONECT   13    2   12                                                 
CONECT   14    8   15   23   23                                       
CONECT   15   14   16                                                 
CONECT   16    9   15   55   56                                       
CONECT   17    7   18   18   22                                       
CONECT   18   17   17   19   57                                       
CONECT   19   18   20   20   27                                       
CONECT   20   19   19   21   26                                       
CONECT   21   20   22   22   24                                       
CONECT   22   17   21   21   58                                       
CONECT   23   14   14                                                 
CONECT   24   21   25                                                 
CONECT   25   24   59   60   61                                       
CONECT   26   20   62                                                 
CONECT   27   19   28                                                 
CONECT   28   27   63   64   65                                       
CONECT   29   10   30                                                 
CONECT   30   29   31   35   66                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   36   67                                       
CONECT   33   32   34   39   68                                       
CONECT   34   33   35   45   69                                       
CONECT   35   30   34   46   70                                       
CONECT   36   32   37   71   72                                       
CONECT   37   36   38                                                 
CONECT   38   37   39   40   73                                       
CONECT   39   33   38                                                 
CONECT   40   38   41   44   44                                       
CONECT   41   40   42                                                 
CONECT   42   41   43   43   74                                       
CONECT   43   42   42   44   75                                       
CONECT   44   40   40   43   76                                       
CONECT   45   34   77                                                 
CONECT   46   35   78                                                 
CONECT   47    3                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   18                                                      
CONECT   58   22                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   30                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
CONECT   73   38                                                      
CONECT   74   42                                                      
CONECT   75   43                                                      
CONECT   76   44                                                      
CONECT   77   45                                                      
CONECT   78   46                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
