COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.360  -0.007   0.238  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.285   2.264  -0.448  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.344   2.889  -1.329  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.597   4.585   0.071  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.125   3.265   0.720  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.185  -0.998   1.590  1.00  0.00           C  
HETATM    7  C   UNL     1       4.720   0.318   0.383  1.00  0.00           C  
HETATM    8  C   UNL     1       5.373  -0.986  -0.079  1.00  0.00           C  
HETATM    9  C   UNL     1       6.710  -0.675  -0.756  1.00  0.00           C  
HETATM   10  C   UNL     1       7.632   0.034   0.238  1.00  0.00           C  
HETATM   11  C   UNL     1       8.968   0.345  -0.438  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.037  -0.307  -0.086  1.00  0.00           C  
HETATM   13  C   UNL     1       9.934   0.940   0.589  1.00  0.00           C  
HETATM   14  C   UNL     1      11.270   1.252  -0.088  1.00  0.00           C  
HETATM   15  C   UNL     1       6.978   1.337   0.701  1.00  0.00           C  
HETATM   16  C   UNL     1       5.642   1.026   1.377  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.171  -1.693  -0.720  1.00  0.00           C  
HETATM   18  C   UNL     1       1.011  -1.942  -1.658  1.00  0.00           C  
HETATM   19  C   UNL     1       0.944  -3.373  -2.196  1.00  0.00           C  
HETATM   20  C   UNL     1       0.952  -0.955  -2.826  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.261  -0.012   0.741  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.667   0.299   0.965  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.753   0.904   0.073  1.00  0.00           C  
HETATM   24  N   UNL     1       1.151  -0.276   0.771  1.00  0.00           N  
HETATM   25  N   UNL     1      -2.477   0.012   0.161  1.00  0.00           N  
HETATM   26  N   UNL     1      -5.502   4.186  -1.013  1.00  0.00           N  
HETATM   27  O   UNL     1       2.463   0.213  -0.953  1.00  0.00           O  
HETATM   28  O   UNL     1      -5.960   2.305  -2.195  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.410  -0.739   2.279  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.152   0.203   1.930  1.00  0.00           O  
HETATM   31  O   UNL     1       3.451   0.022   1.025  1.00  0.00           O  
HETATM   32  H   UNL     1      -3.347   2.161  -0.993  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.129   5.195   0.801  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.744   5.134  -0.329  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.766   2.991   1.559  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.083   3.335   1.034  1.00  0.00           H  
HETATM   37  S   UNL     1      -4.472  -2.226   0.285  1.00  0.00           S  
HETATM   38  H   UNL     1      -3.447  -1.383   2.294  1.00  0.00           H  
HETATM   39  H   UNL     1       4.549   0.964  -0.478  1.00  0.00           H  
HETATM   40  H   UNL     1       5.544  -1.632   0.782  1.00  0.00           H  
HETATM   41  H   UNL     1       4.716  -1.491  -0.788  1.00  0.00           H  
HETATM   42  H   UNL     1       7.176  -1.603  -1.085  1.00  0.00           H  
HETATM   43  H   UNL     1       6.539  -0.029  -1.617  1.00  0.00           H  
HETATM   44  H   UNL     1       7.803  -0.612   1.099  1.00  0.00           H  
HETATM   45  H   UNL     1       9.392  -0.572  -0.846  1.00  0.00           H  
HETATM   46  H   UNL     1       8.809   1.061  -1.245  1.00  0.00           H  
HETATM   47  H   UNL     1       0.061   0.443  -0.871  1.00  0.00           H  
HETATM   48  H   UNL     1       9.510   1.858   0.997  1.00  0.00           H  
HETATM   49  H   UNL     1      10.093   0.224   1.395  1.00  0.00           H  
HETATM   50  H   UNL     1      11.958   1.676   0.644  1.00  0.00           H  
HETATM   51  H   UNL     1      11.694   0.334  -0.495  1.00  0.00           H  
HETATM   52  H   UNL     1      11.111   1.968  -0.894  1.00  0.00           H  
HETATM   53  H   UNL     1       7.635   1.842   1.409  1.00  0.00           H  
HETATM   54  H   UNL     1       6.808   1.984  -0.161  1.00  0.00           H  
HETATM   55  H   UNL     1       5.176   1.955   1.707  1.00  0.00           H  
HETATM   56  H   UNL     1       5.812   0.380   2.238  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.180  -2.452   0.063  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.101  -1.745  -1.286  1.00  0.00           H  
HETATM   59  H   UNL     1       1.944  -1.803  -1.112  1.00  0.00           H  
HETATM   60  H   UNL     1       0.011  -3.512  -2.742  1.00  0.00           H  
HETATM   61  H   UNL     1       1.786  -3.550  -2.864  1.00  0.00           H  
HETATM   62  H   UNL     1       0.986  -4.076  -1.364  1.00  0.00           H  
HETATM   63  H   UNL     1       1.000   0.064  -2.443  1.00  0.00           H  
HETATM   64  H   UNL     1       1.795  -1.133  -3.495  1.00  0.00           H  
HETATM   65  H   UNL     1       0.019  -1.094  -3.373  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.411   1.005   1.755  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.669   1.031   0.650  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.943   0.238  -0.769  1.00  0.00           H  
HETATM   69  H   UNL     1       1.068  -0.448   1.722  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.564  -0.160  -0.790  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.132   4.782  -1.447  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.114  -0.395   1.713  1.00  0.00           H  
HETATM   73  O   UNL     1      -5.489  -1.781  -0.603  1.00  0.00           O  
HETATM   74  O   UNL     1      -3.238  -2.728  -0.207  1.00  0.00           O  
HETATM   75  O   UNL     1      -5.098  -3.409   1.009  1.00  0.00           O  
HETATM   76  H   UNL     1      -5.311  -4.155   0.431  1.00  0.00           H  
CONECT    1   27   27   24   31                                       
CONECT    2    3   23    5   32                                       
CONECT    3   28   28   26    2                                       
CONECT    4   26    5   33   34                                       
CONECT    5    2    4   35   36                                       
CONECT    6   29   22   37   38                                       
CONECT    7   16   31    8   39                                       
CONECT    8    7    9   40   41                                       
CONECT    9   10    8   42   43                                       
CONECT   10   15   11    9   44                                       
CONECT   11   10   13   45   46                                       
CONECT   12   21   24   17   47                                       
CONECT   13   11   14   48   49                                       
CONECT   14   13   50   51   52                                       
CONECT   15   16   10   53   54                                       
CONECT   16   15    7   55   56                                       
CONECT   17   12   18   57   58                                       
CONECT   18   19   17   20   59                                       
CONECT   19   18   60   61   62                                       
CONECT   20   18   63   64   65                                       
CONECT   21   25   12   30   30                                       
CONECT   22   23    6   25   66                                       
CONECT   23    2   22   67   68                                       
CONECT   24   12    1   69                                            
CONECT   25   22   21   70                                            
CONECT   26    3    4   71                                            
CONECT   27    1    1                                                 
CONECT   28    3    3                                                 
CONECT   29    6   72                                                 
CONECT   30   21   21                                                 
CONECT   31    1    7                                                 
CONECT   32    2                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6   73   73   74                                       
CONECT   37   74   75                                                 
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   29                                                      
CONECT   73   37   37                                                 
CONECT   74   37   37                                                 
CONECT   75   37   76                                                 
CONECT   76   75                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
