COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.165   3.482   3.367  1.00  0.00           C  
HETATM    2  C   UNL     1       0.079   0.714   1.003  1.00  0.00           C  
HETATM    3  C   UNL     1       0.092   2.046   1.755  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.089   2.095   2.726  1.00  0.00           C  
HETATM    5  C   UNL     1       4.661  -0.734   0.636  1.00  0.00           C  
HETATM    6  C   UNL     1       6.964  -1.617   0.279  1.00  0.00           C  
HETATM    7  C   UNL     1       8.234  -1.494  -0.557  1.00  0.00           C  
HETATM    8  C   UNL     1       7.353   0.394  -1.897  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.122   0.661   0.095  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.898   1.039   3.816  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.169   1.546  -0.498  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.481   0.194  -0.299  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.794  -2.158   0.483  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.758  -3.160   1.080  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.693  -4.261  -0.666  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.472  -0.797   0.315  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.432  -2.756  -0.897  1.00  0.00           C  
HETATM   18  C   UNL     1       2.411   0.054   0.746  1.00  0.00           C  
HETATM   19  C   UNL     1       5.797  -0.891  -0.385  1.00  0.00           C  
HETATM   20  C   UNL     1       7.873  -1.044  -1.972  1.00  0.00           C  
HETATM   21  C   UNL     1       6.182   0.480  -0.921  1.00  0.00           C  
HETATM   22  C   UNL     1       8.485   1.295  -1.387  1.00  0.00           C  
HETATM   23  C   UNL     1       8.837   0.887   0.044  1.00  0.00           C  
HETATM   24  C   UNL     1       9.259  -0.578   0.088  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.684  -4.325   0.415  1.00  0.00           N  
HETATM   26  N   UNL     1      -2.335   0.357   0.599  1.00  0.00           N  
HETATM   27  N   UNL     1       1.301   0.593   0.203  1.00  0.00           N  
HETATM   28  O   UNL     1      -5.490  -2.942   2.022  1.00  0.00           O  
HETATM   29  O   UNL     1      -3.214   2.504  -0.958  1.00  0.00           O  
HETATM   30  O   UNL     1       3.502  -0.151  -0.016  1.00  0.00           O  
HETATM   31  O   UNL     1       2.427  -0.245   1.924  1.00  0.00           O  
HETATM   32  O   UNL     1      -0.998   0.892  -1.089  1.00  0.00           O  
HETATM   33  H   UNL     1      -1.301   4.235   2.590  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.007   3.517   4.059  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.241   3.683   3.909  1.00  0.00           H  
HETATM   36  H   UNL     1       0.031  -0.107   1.718  1.00  0.00           H  
HETATM   37  H   UNL     1       1.024   2.140   2.312  1.00  0.00           H  
HETATM   38  H   UNL     1       0.011   2.867   1.042  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.013   1.895   2.184  1.00  0.00           H  
HETATM   40  H   UNL     1       4.398  -1.711   1.039  1.00  0.00           H  
HETATM   41  H   UNL     1       4.988  -0.082   1.446  1.00  0.00           H  
HETATM   42  H   UNL     1       6.710  -2.674   0.399  1.00  0.00           H  
HETATM   43  H   UNL     1       7.139  -1.189   1.270  1.00  0.00           H  
HETATM   44  H   UNL     1       8.680  -2.503  -0.635  1.00  0.00           H  
HETATM   45  H   UNL     1       7.041   0.725  -2.884  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.007   1.275   4.398  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.769   1.031   4.471  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.781   0.058   3.355  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.593   1.882   0.449  1.00  0.00           H  
HETATM   50  S   UNL     1      -5.494   1.375  -1.726  1.00  0.00           S  
HETATM   51  H   UNL     1      -3.138  -0.184  -1.261  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.903  -2.066   1.104  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.093  -4.718  -1.571  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.773  -4.762  -0.365  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.797  -0.430   1.289  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.336  -0.900  -0.341  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.085  -2.362  -1.676  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.385  -2.574  -1.138  1.00  0.00           H  
HETATM   59  H   UNL     1       5.424  -1.507  -1.213  1.00  0.00           H  
HETATM   60  H   UNL     1       8.760  -1.077  -2.603  1.00  0.00           H  
HETATM   61  H   UNL     1       7.104  -1.693  -2.385  1.00  0.00           H  
HETATM   62  H   UNL     1       6.429   1.150  -0.098  1.00  0.00           H  
HETATM   63  H   UNL     1       5.320   0.909  -1.450  1.00  0.00           H  
HETATM   64  H   UNL     1       9.358   1.176  -2.027  1.00  0.00           H  
HETATM   65  H   UNL     1       8.156   2.332  -1.403  1.00  0.00           H  
HETATM   66  H   UNL     1       9.667   1.509   0.394  1.00  0.00           H  
HETATM   67  H   UNL     1       7.986   1.049   0.702  1.00  0.00           H  
HETATM   68  H   UNL     1       9.408  -0.875   1.132  1.00  0.00           H  
HETATM   69  H   UNL     1      10.220  -0.686  -0.430  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.218  -5.109   0.623  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.448   0.247   1.556  1.00  0.00           H  
HETATM   72  H   UNL     1       1.311   0.900  -0.717  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.476   2.646  -0.350  1.00  0.00           H  
HETATM   74  O   UNL     1      -6.182   2.607  -1.891  1.00  0.00           O  
HETATM   75  O   UNL     1      -5.039   0.633  -2.849  1.00  0.00           O  
HETATM   76  O   UNL     1      -6.513   0.462  -1.060  1.00  0.00           O  
HETATM   77  H   UNL     1      -7.290   0.277  -1.605  1.00  0.00           H  
CONECT    1    4   33   34   35                                       
CONECT    2   27    9    3   36                                       
CONECT    3    2    4   37   38                                       
CONECT    4   10    3    1   39                                       
CONECT    5   30   19   40   41                                       
CONECT    6   19    7   42   43                                       
CONECT    7    6   24   20   44                                       
CONECT    8   21   20   22   45                                       
CONECT    9   26    2   32   32                                       
CONECT   10    4   46   47   48                                       
CONECT   11   12   29   49   50                                       
CONECT   12   16   26   11   51                                       
CONECT   13   14   16   17   52                                       
CONECT   14   28   28   25   13                                       
CONECT   15   25   17   53   54                                       
CONECT   16   13   12   55   56                                       
CONECT   17   13   15   57   58                                       
CONECT   18   31   31   30   27                                       
CONECT   19    5    6   21   59                                       
CONECT   20    7    8   60   61                                       
CONECT   21   19    8   62   63                                       
CONECT   22   23    8   64   65                                       
CONECT   23   24   22   66   67                                       
CONECT   24    7   23   68   69                                       
CONECT   25   14   15   70                                            
CONECT   26   12    9   71                                            
CONECT   27   18    2   72                                            
CONECT   28   14   14                                                 
CONECT   29   11   73                                                 
CONECT   30    5   18                                                 
CONECT   31   18   18                                                 
CONECT   32    9    9                                                 
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   11   74   74   75                                       
CONECT   50   75   76                                                 
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   29                                                      
CONECT   74   50   50                                                 
CONECT   75   50   50                                                 
CONECT   76   50   77                                                 
CONECT   77   76                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
