COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.412   1.564   0.913  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.683   1.957   0.165  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.437   1.365   0.372  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.219   2.201   0.424  1.00  0.00           C  
HETATM    5  C   UNL     1       0.191   2.455   0.677  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.822   1.170   0.117  1.00  0.00           C  
HETATM    7  C   UNL     1       4.792  -1.908  -2.787  1.00  0.00           C  
HETATM    8  C   UNL     1       4.536  -3.342  -2.313  1.00  0.00           C  
HETATM    9  C   UNL     1       3.048  -3.511  -1.994  1.00  0.00           C  
HETATM   10  C   UNL     1       2.654  -2.552  -0.869  1.00  0.00           C  
HETATM   11  C   UNL     1       2.889  -1.110  -1.327  1.00  0.00           C  
HETATM   12  C   UNL     1       2.634  -0.167  -0.179  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.169   0.875  -0.123  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.438   1.698  -0.357  1.00  0.00           C  
HETATM   15  C   UNL     1     -10.525   3.098  -1.971  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.725  -0.205   0.275  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.488  -0.798   0.481  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.618  -2.888   0.574  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.319  -4.376   0.768  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.498  -5.956   2.371  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.344  -0.018   0.530  1.00  0.00           C  
HETATM   22  C   UNL     1       5.970  -0.543   0.346  1.00  0.00           C  
HETATM   23  C   UNL     1       6.889   0.446   1.015  1.00  0.00           C  
HETATM   24  C   UNL     1       8.228   0.487   0.672  1.00  0.00           C  
HETATM   25  C   UNL     1       9.070   1.398   1.282  1.00  0.00           C  
HETATM   26  C   UNL     1       8.574   2.268   2.235  1.00  0.00           C  
HETATM   27  C   UNL     1       7.235   2.227   2.577  1.00  0.00           C  
HETATM   28  C   UNL     1       6.393   1.316   1.968  1.00  0.00           C  
HETATM   29  N   UNL     1       4.282  -0.974  -1.775  1.00  0.00           N  
HETATM   30  N   UNL     1      -1.016   1.627   0.625  1.00  0.00           N  
HETATM   31  O   UNL     1       4.365   1.255  -0.801  1.00  0.00           O  
HETATM   32  O   UNL     1       1.598   0.685  -0.228  1.00  0.00           O  
HETATM   33  O   UNL     1      -7.037   1.746  -0.085  1.00  0.00           O  
HETATM   34  O   UNL     1      -9.382   2.302  -1.651  1.00  0.00           O  
HETATM   35  O   UNL     1      -4.398  -2.145   0.636  1.00  0.00           O  
HETATM   36  O   UNL     1      -4.811  -4.592   2.086  1.00  0.00           O  
HETATM   37  O   UNL     1      -2.302   3.406   0.287  1.00  0.00           O  
HETATM   38  O   UNL     1       3.361  -0.179   0.786  1.00  0.00           O  
HETATM   39  O   UNL     1       6.262   0.394  -2.135  1.00  0.00           O  
HETATM   40  S   UNL     1       5.260   0.206  -1.146  1.00  0.00           S  
HETATM   41  H   UNL     1       2.298   2.186   1.040  1.00  0.00           H  
HETATM   42  H   UNL     1       1.257   0.965   1.811  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.760   3.027   0.046  1.00  0.00           H  
HETATM   44  H   UNL     1       0.104   3.175   1.491  1.00  0.00           H  
HETATM   45  H   UNL     1       0.308   2.988  -0.267  1.00  0.00           H  
HETATM   46  H   UNL     1       5.863  -1.754  -2.921  1.00  0.00           H  
HETATM   47  H   UNL     1       4.278  -1.739  -3.733  1.00  0.00           H  
HETATM   48  H   UNL     1       4.821  -4.042  -3.099  1.00  0.00           H  
HETATM   49  H   UNL     1       5.124  -3.540  -1.418  1.00  0.00           H  
HETATM   50  H   UNL     1       2.459  -3.289  -2.884  1.00  0.00           H  
HETATM   51  H   UNL     1       2.859  -4.538  -1.680  1.00  0.00           H  
HETATM   52  H   UNL     1       1.600  -2.690  -0.625  1.00  0.00           H  
HETATM   53  H   UNL     1       3.262  -2.758   0.013  1.00  0.00           H  
HETATM   54  H   UNL     1       2.217  -0.874  -2.152  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.251   0.343   0.825  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.048   0.156  -0.933  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.310   1.046  -0.298  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.512   2.475   0.404  1.00  0.00           H  
HETATM   59  H   UNL     1     -11.419   2.475  -1.945  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.622   3.904  -1.243  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.405   3.521  -2.968  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.615  -0.815   0.237  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.088  -2.735  -0.398  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.291  -2.547   1.361  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.235  -4.951   0.633  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.578  -4.695   0.035  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.118  -6.036   3.390  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.397  -6.564   2.270  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.740  -6.309   1.672  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.381  -0.480   0.691  1.00  0.00           H  
HETATM   71  H   UNL     1       6.533  -1.435   0.072  1.00  0.00           H  
HETATM   72  H   UNL     1       5.168  -0.816   1.032  1.00  0.00           H  
HETATM   73  H   UNL     1       8.616  -0.193  -0.072  1.00  0.00           H  
HETATM   74  H   UNL     1      10.116   1.429   1.015  1.00  0.00           H  
HETATM   75  H   UNL     1       9.232   2.979   2.712  1.00  0.00           H  
HETATM   76  H   UNL     1       6.847   2.907   3.321  1.00  0.00           H  
HETATM   77  H   UNL     1       5.346   1.287   2.233  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.950   0.666   0.735  1.00  0.00           H  
CONECT    1   32    5   41   42                                       
CONECT    2    6    6    3   43                                       
CONECT    3    2    4   21   21                                       
CONECT    4   30   37   37    3                                       
CONECT    5    1   30   44   45                                       
CONECT    6   33    2    2   16                                       
CONECT    7    8   29   46   47                                       
CONECT    8    9    7   48   49                                       
CONECT    9   10    8   50   51                                       
CONECT   10   11    9   52   53                                       
CONECT   11   10   29   12   54                                       
CONECT   12   11   38   38   32                                       
CONECT   13   33   14   55   56                                       
CONECT   14   34   13   57   58                                       
CONECT   15   34   59   60   61                                       
CONECT   16    6   17   17   62                                       
CONECT   17   16   16   21   35                                       
CONECT   18   35   19   63   64                                       
CONECT   19   18   36   65   66                                       
CONECT   20   36   67   68   69                                       
CONECT   21    3    3   17   70                                       
CONECT   22   40   23   71   72                                       
CONECT   23   24   24   28   22                                       
CONECT   24   25   23   23   73                                       
CONECT   25   26   26   24   74                                       
CONECT   26   25   25   27   75                                       
CONECT   27   26   28   28   76                                       
CONECT   28   27   27   23   77                                       
CONECT   29   40   11    7                                            
CONECT   30    5    4   78                                            
CONECT   31   40   40                                                 
CONECT   32   12    1                                                 
CONECT   33    6   13                                                 
CONECT   34   14   15                                                 
CONECT   35   17   18                                                 
CONECT   36   19   20                                                 
CONECT   37    4    4                                                 
CONECT   38   12   12                                                 
CONECT   39   40   40                                                 
CONECT   40   39   39   31   31                                       
CONECT   40   29   22                                                 
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   22                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   30                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
