COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.150   0.064  -0.627  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.313  -1.241   1.474  1.00  0.00           C  
HETATM    3  C   UNL     1       3.353  -0.113  -0.040  1.00  0.00           C  
HETATM    4  C   UNL     1       4.299   1.989   0.607  1.00  0.00           C  
HETATM    5  C   UNL     1       2.883   0.457  -1.208  1.00  0.00           C  
HETATM    6  C   UNL     1       4.087   4.017  -0.845  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.279  -0.469  -2.852  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.059   2.504   1.528  1.00  0.00           C  
HETATM    9  C   UNL     1       0.155  -1.938  -0.812  1.00  0.00           C  
HETATM   10  C   UNL     1       0.419  -1.516   0.484  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.495  -0.714   1.155  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.673  -0.335   0.530  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.934  -0.764  -0.771  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.020  -1.563  -1.438  1.00  0.00           C  
HETATM   15  N   UNL     1       1.606  -1.899   1.115  1.00  0.00           N  
HETATM   16  N   UNL     1      -2.592   0.475   1.200  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.977   0.123   0.869  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.134  -0.384  -1.397  1.00  0.00           N  
HETATM   19  O   UNL     1      -5.196   0.409  -1.135  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.332   1.897   0.936  1.00  0.00           C  
HETATM   21  C   UNL     1       4.061   0.653   0.868  1.00  0.00           C  
HETATM   22  C   UNL     1       3.829   2.560  -0.561  1.00  0.00           C  
HETATM   23  C   UNL     1       3.121   1.794  -1.469  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.153   2.241   0.024  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.919   1.181   1.447  1.00  0.00           C  
HETATM   26  S   UNL     1       3.043  -1.815   0.296  1.00  0.00           S  
HETATM   27  O   UNL     1       2.826  -2.439  -0.961  1.00  0.00           O  
HETATM   28  O   UNL     1       4.050  -2.233   1.208  1.00  0.00           O  
HETATM   29  H   UNL     1      -3.645  -1.997   1.059  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.187  -1.200   2.556  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.345  -1.499   1.237  1.00  0.00           H  
HETATM   32  H   UNL     1       4.852   2.588   1.316  1.00  0.00           H  
HETATM   33  H   UNL     1       2.331  -0.141  -1.917  1.00  0.00           H  
HETATM   34  H   UNL     1       5.027   4.121  -1.388  1.00  0.00           H  
HETATM   35  H   UNL     1       3.273   4.420  -1.448  1.00  0.00           H  
HETATM   36  H   UNL     1       4.148   4.565   0.095  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.274  -0.131  -3.138  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.529   0.162  -3.329  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.141  -1.503  -3.171  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.105   3.541   1.862  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.414   1.849   2.114  1.00  0.00           H  
HETATM   42  H   UNL     1       0.868  -2.561  -1.333  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.288  -0.386   2.163  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.224  -1.891  -2.446  1.00  0.00           H  
HETATM   45  H   UNL     1       1.589  -2.215   2.032  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.215   2.533   0.880  1.00  0.00           H  
HETATM   47  H   UNL     1       4.427   0.207   1.781  1.00  0.00           H  
HETATM   48  H   UNL     1       2.755   2.239  -2.382  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.260   3.105  -0.632  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.570   1.413  -0.380  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.950   0.842   1.349  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.687   1.337   2.501  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.791   2.118   0.904  1.00  0.00           H  
CONECT    1   18   19   19   17                                       
CONECT    2   17   29   30   31                                       
CONECT    3   26    5    5   21                                       
CONECT    4   21   21   22   32                                       
CONECT    5    3    3   23   33                                       
CONECT    6   22   34   35   36                                       
CONECT    7   18   37   38   39                                       
CONECT    8   20   24   40   41                                       
CONECT    9   14   14   10   42                                       
CONECT   10    9   15   11   11                                       
CONECT   11   10   10   12   43                                       
CONECT   12   13   13   11   16                                       
CONECT   13   14   18   12   12                                       
CONECT   14    9    9   13   44                                       
CONECT   15   10   26   45                                            
CONECT   16   17   12   20                                            
CONECT   17    2    1   25   16                                       
CONECT   18    7    1   13                                            
CONECT   19    1    1                                                 
CONECT   20   16    8   24   46                                       
CONECT   21    3    4    4   47                                       
CONECT   22   23   23    4    6                                       
CONECT   23    5   22   22   48                                       
CONECT   24   20    8   49   50                                       
CONECT   25   17   51   52   53                                       
CONECT   26   15   28   28   27                                       
CONECT   26   27    3                                                 
CONECT   27   26   26                                                 
CONECT   28   26   26                                                 
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
