COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.576  -2.505  -0.942  1.00  0.00           C  
HETATM    2  C   UNL     1       3.504   0.490  -0.372  1.00  0.00           C  
HETATM    3  C   UNL     1       3.982  -0.581   0.418  1.00  0.00           C  
HETATM    4  C   UNL     1       5.135  -1.494   0.089  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.654  -1.546  -0.482  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.741  -0.162  -0.609  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.666  -2.247   0.149  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.836   0.511  -0.105  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.764  -1.576   0.655  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.861  -0.188   0.533  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.233   1.967  -0.074  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.565   2.006   0.637  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.894   0.770   0.969  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.239  -3.899  -0.916  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.336  -3.724   0.155  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.688   1.039  -0.528  1.00  0.00           C  
HETATM   17  C   UNL     1       2.472   1.036   0.296  1.00  0.00           C  
HETATM   18  C   UNL     1       3.211  -0.628   1.518  1.00  0.00           C  
HETATM   19  C   UNL     1       6.430  -0.903   0.651  1.00  0.00           C  
HETATM   20  C   UNL     1       4.890  -2.869   0.712  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.717   0.548  -1.247  1.00  0.00           N  
HETATM   22  N   UNL     1       0.244   1.808  -1.124  1.00  0.00           N  
HETATM   23  O   UNL     1      -0.601   0.788   0.659  1.00  0.00           O  
HETATM   24  O   UNL     1       0.943   2.986   0.929  1.00  0.00           O  
HETATM   25  O   UNL     1       2.301   0.357   1.442  1.00  0.00           O  
HETATM   26  O   UNL     1       5.249  -1.626  -1.329  1.00  0.00           O  
HETATM   27  O   UNL     1       2.322   3.140  -1.150  1.00  0.00           O  
HETATM   28  S   UNL     1       1.509   2.411  -0.241  1.00  0.00           S  
HETATM   29  H   UNL     1      -1.256  -2.257  -1.954  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.728  -2.477  -0.258  1.00  0.00           H  
HETATM   31  H   UNL     1       3.895   0.811  -1.326  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.551  -2.129   1.147  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.494   2.548   0.477  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.335   2.351  -1.089  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.149   2.892   0.840  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.800   0.497   1.489  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.678  -4.137  -1.885  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.522  -4.663  -0.616  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.960  -4.024   1.133  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.217  -4.310  -0.108  1.00  0.00           H  
HETATM   41  H   UNL     1       3.310  -1.335   2.329  1.00  0.00           H  
HETATM   42  H   UNL     1       6.344  -0.801   1.733  1.00  0.00           H  
HETATM   43  H   UNL     1       7.264  -1.563   0.414  1.00  0.00           H  
HETATM   44  H   UNL     1       6.605   0.077   0.207  1.00  0.00           H  
HETATM   45  H   UNL     1       3.968  -3.290   0.312  1.00  0.00           H  
HETATM   46  H   UNL     1       5.724  -3.530   0.474  1.00  0.00           H  
HETATM   47  H   UNL     1       4.804  -2.768   1.794  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.748   0.687  -2.206  1.00  0.00           H  
HETATM   49  H   UNL     1       0.175   2.008  -2.070  1.00  0.00           H  
HETATM   50  H   UNL     1       5.405  -0.791  -1.791  1.00  0.00           H  
CONECT    1   14    5   29   30                                       
CONECT    2   17   17    3   31                                       
CONECT    3   18   18    2    4                                       
CONECT    4    3   19   20   26                                       
CONECT    5    1    6    6    7                                       
CONECT    6   21    5    5    8                                       
CONECT    7   15    5    9    9                                       
CONECT    8    6   10   10   11                                       
CONECT    9    7    7   10   32                                       
CONECT   10    8    8    9   13                                       
CONECT   11    8   12   33   34                                       
CONECT   12   11   13   13   35                                       
CONECT   13   10   12   12   36                                       
CONECT   14    1   15   37   38                                       
CONECT   15   14    7   39   40                                       
CONECT   16   22   23   23   21                                       
CONECT   17   25   28    2    2                                       
CONECT   18   25    3    3   41                                       
CONECT   19    4   42   43   44                                       
CONECT   20    4   45   46   47                                       
CONECT   21   16    6   48                                            
CONECT   22   28   16   49                                            
CONECT   23   16   16                                                 
CONECT   24   28   28                                                 
CONECT   25   17   18                                                 
CONECT   26    4   50                                                 
CONECT   27   28   28                                                 
CONECT   28   27   27   24   24                                       
CONECT   28   17   22                                                 
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    9                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   26                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
