COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.140  -3.010  -0.800  1.00  0.00           N  
HETATM    2  N   UNL     1       5.945   0.017   0.071  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.047  -0.294   0.558  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.204  -0.174  -0.183  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.022   0.938  -0.043  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.423   2.390  -0.305  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.434   3.536  -0.044  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.691   1.934   0.846  1.00  0.00           C  
HETATM    9  C   UNL     1       0.196  -1.883  -0.180  1.00  0.00           C  
HETATM   10  C   UNL     1       2.489  -2.345  -0.807  1.00  0.00           C  
HETATM   11  C   UNL     1       2.272  -0.419   0.374  1.00  0.00           C  
HETATM   12  C   UNL     1       7.038   0.919   0.442  1.00  0.00           C  
HETATM   13  C   UNL     1       7.199   2.041  -0.606  1.00  0.00           C  
HETATM   14  C   UNL     1       8.995   3.669  -0.518  1.00  0.00           C  
HETATM   15  C   UNL     1       8.402   0.183   0.378  1.00  0.00           C  
HETATM   16  O   UNL     1       4.446   1.314   1.075  1.00  0.00           O  
HETATM   17  C   UNL     1       4.680   0.305   0.437  1.00  0.00           C  
HETATM   18  C   UNL     1       9.380   1.357   0.119  1.00  0.00           C  
HETATM   19  N   UNL     1       8.645   2.268  -0.785  1.00  0.00           N  
HETATM   20  C   UNL     1       3.585  -0.599   0.065  1.00  0.00           C  
HETATM   21  N   UNL     1       3.720  -1.773  -0.655  1.00  0.00           N  
HETATM   22  N   UNL     1       2.050  -3.453  -1.400  1.00  0.00           N  
HETATM   23  C   UNL     1       0.772  -3.763  -1.388  1.00  0.00           C  
HETATM   24  C   UNL     1       1.554  -1.507  -0.164  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.762  -1.101   0.433  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.168  -1.509   0.405  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.440  -2.482   1.553  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.909  -2.908   1.524  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.548  -3.716   1.398  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.697   0.714   1.438  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.513   1.814   1.582  1.00  0.00           C  
HETATM   32  S   UNL     1      -6.475   1.026  -1.043  1.00  0.00           S  
HETATM   33  O   UNL     1      -5.996   1.389  -2.331  1.00  0.00           O  
HETATM   34  O   UNL     1      -7.130  -0.216  -0.824  1.00  0.00           O  
HETATM   35  C   UNL     1      -5.524   3.154   1.109  1.00  0.00           C  
HETATM   36  H   UNL     1       6.131  -0.788  -0.438  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.476  -0.954  -0.879  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.871   2.065   0.634  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.201   2.719  -0.994  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.836   3.712  -0.938  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.985   4.442   0.211  1.00  0.00           H  
HETATM   42  H   UNL     1       1.855   0.408   0.931  1.00  0.00           H  
HETATM   43  H   UNL     1       6.870   1.339   1.433  1.00  0.00           H  
HETATM   44  H   UNL     1       6.752   1.732  -1.551  1.00  0.00           H  
HETATM   45  H   UNL     1       6.722   2.953  -0.248  1.00  0.00           H  
HETATM   46  H   UNL     1       8.726   3.922   0.507  1.00  0.00           H  
HETATM   47  H   UNL     1      10.067   3.809  -0.657  1.00  0.00           H  
HETATM   48  H   UNL     1       8.452   4.317  -1.207  1.00  0.00           H  
HETATM   49  H   UNL     1       8.625  -0.309   1.324  1.00  0.00           H  
HETATM   50  H   UNL     1       8.423  -0.531  -0.445  1.00  0.00           H  
HETATM   51  H   UNL     1       9.620   1.863   1.054  1.00  0.00           H  
HETATM   52  H   UNL     1      10.289   0.995  -0.361  1.00  0.00           H  
HETATM   53  H   UNL     1       4.554  -2.132  -0.997  1.00  0.00           H  
HETATM   54  H   UNL     1       0.454  -4.670  -1.880  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.503  -0.281   0.882  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.386  -1.997  -0.545  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.222  -1.994   2.503  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.127  -3.397   0.575  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.102  -3.602   2.342  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.544  -2.030   1.635  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.501  -3.412   1.418  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.741  -4.410   2.216  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.766  -4.204   0.448  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.787   0.636   2.015  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.234   2.596   2.273  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.858   3.991   1.319  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.137   2.972   1.992  1.00  0.00           H  
CONECT    1    9    9   23                                            
CONECT    2   17   12   36                                            
CONECT    3   26    4    4   30                                       
CONECT    4    3    3    5   37                                       
CONECT    5    4   32    8    8                                       
CONECT    6   32    7   38   39                                       
CONECT    7    6   35   40   41                                       
CONECT    8    5    5   35   31                                       
CONECT    9   25    1    1   24                                       
CONECT   10   22   24   24   21                                       
CONECT   11   24   20   20   42                                       
CONECT   12    2   13   15   43                                       
CONECT   13   12   19   44   45                                       
CONECT   14   19   46   47   48                                       
CONECT   15   18   12   49   50                                       
CONECT   16   17   17                                                 
CONECT   17   20    2   16   16                                       
CONECT   18   19   15   51   52                                       
CONECT   19   13   14   18                                            
CONECT   20   11   11   17   21                                       
CONECT   21   20   10   53                                            
CONECT   22   23   23   10                                            
CONECT   23    1   22   22   54                                       
CONECT   24   10   10    9   11                                       
CONECT   25   26    9   55                                            
CONECT   26   27    3   25   56                                       
CONECT   27   29   28   26   57                                       
CONECT   28   27   58   59   60                                       
CONECT   29   27   61   62   63                                       
CONECT   30   31   31    3   64                                       
CONECT   31    8   30   30   65                                       
CONECT   32    5    6   33   33                                       
CONECT   32   34   34                                                 
CONECT   33   32   32                                                 
CONECT   34   32   32                                                 
CONECT   35    7    8   66   67                                       
CONECT   36    2                                                      
CONECT   37    4                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   21                                                      
CONECT   54   23                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
