COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1      -1.302  -1.105   0.418  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.276  -0.065  -0.206  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.127   0.351  -0.775  1.00  0.00           N  
HETATM    4  C   UNL     1       1.059  -0.361  -0.560  1.00  0.00           C  
HETATM    5  C   UNL     1       1.028  -1.571   0.121  1.00  0.00           C  
HETATM    6  C   UNL     1       2.198  -2.274   0.333  1.00  0.00           C  
HETATM    7  C   UNL     1       3.404  -1.771  -0.137  1.00  0.00           C  
HETATM    8  N   UNL     1       4.591  -2.485   0.077  1.00  0.00           N  
HETATM    9  C   UNL     1       5.745  -1.823   0.292  1.00  0.00           C  
HETATM   10  C   UNL     1       7.041  -2.585   0.403  1.00  0.00           C  
HETATM   11  C   UNL     1       8.190  -1.605   0.644  1.00  0.00           C  
HETATM   12  O   UNL     1       5.742  -0.615   0.396  1.00  0.00           O  
HETATM   13  C   UNL     1       3.435  -0.562  -0.819  1.00  0.00           C  
HETATM   14  C   UNL     1       2.265   0.139  -1.034  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.120   1.549  -1.618  1.00  0.00           C  
HETATM   16  C   UNL     1       0.203   2.756  -0.775  1.00  0.00           C  
HETATM   17  C   UNL     1       1.455   3.137  -0.517  1.00  0.00           C  
HETATM   18  S   UNL     1       1.438   4.576   0.493  1.00  0.00           S  
HETATM   19  C   UNL     1      -0.321   4.580   0.509  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.777   3.555  -0.213  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.530   0.759  -0.350  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.624   0.115   0.382  1.00  0.00           N  
HETATM   23  N   UNL     1      -3.976   0.327   1.723  1.00  0.00           N  
HETATM   24  N   UNL     1      -4.986  -0.411   2.022  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.368  -1.137   0.953  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.511  -0.811  -0.113  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.685  -1.417  -1.352  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.691  -2.325  -1.530  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.544  -2.648  -0.482  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.389  -2.075   0.746  1.00  0.00           C  
HETATM   31  H   UNL     1       0.090  -1.962   0.486  1.00  0.00           H  
HETATM   32  H   UNL     1       2.174  -3.214   0.863  1.00  0.00           H  
HETATM   33  H   UNL     1       4.581  -3.455   0.071  1.00  0.00           H  
HETATM   34  H   UNL     1       6.980  -3.286   1.235  1.00  0.00           H  
HETATM   35  H   UNL     1       7.220  -3.134  -0.522  1.00  0.00           H  
HETATM   36  H   UNL     1       9.127  -2.156   0.724  1.00  0.00           H  
HETATM   37  H   UNL     1       8.251  -0.904  -0.188  1.00  0.00           H  
HETATM   38  H   UNL     1       8.011  -1.056   1.569  1.00  0.00           H  
HETATM   39  H   UNL     1       4.373  -0.171  -1.183  1.00  0.00           H  
HETATM   40  H   UNL     1       2.288   1.077  -1.567  1.00  0.00           H  
HETATM   41  H   UNL     1       0.633   1.439  -2.399  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.101   1.678  -2.076  1.00  0.00           H  
HETATM   43  H   UNL     1       2.344   2.637  -0.874  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.938   5.303   1.022  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.832   3.362  -0.346  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.359   1.756   0.056  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.795   0.836  -1.405  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.027  -1.171  -2.173  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.825  -2.794  -2.493  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.334  -3.367  -0.639  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.059  -2.333   1.553  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   21                                       
CONECT    3    2    4   15                                            
CONECT    4    3    5    5   14                                       
CONECT    5    4    4    6   31                                       
CONECT    6    5    7    7   32                                       
CONECT    7    6    6    8   13                                       
CONECT    8    7    9   33                                            
CONECT    9    8   10   12   12                                       
CONECT   10    9   11   34   35                                       
CONECT   11   10   36   37   38                                       
CONECT   12    9    9                                                 
CONECT   13    7   14   14   39                                       
CONECT   14    4   13   13   40                                       
CONECT   15    3   16   41   42                                       
CONECT   16   15   17   17   20                                       
CONECT   17   16   16   18   43                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   20   44                                       
CONECT   20   16   19   19   45                                       
CONECT   21    2   22   46   47                                       
CONECT   22   21   23   26                                            
CONECT   23   22   24   24                                            
CONECT   24   23   23   25                                            
CONECT   25   24   26   26   30                                       
CONECT   26   22   25   25   27                                       
CONECT   27   26   28   28   48                                       
CONECT   28   27   27   29   49                                       
CONECT   29   28   30   30   50                                       
CONECT   30   25   29   29   51                                       
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
