COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.476  -0.378   0.145  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.141  -2.859   0.648  1.00  0.00           C  
HETATM    3  C   UNL     1       4.135  -2.654   0.045  1.00  0.00           C  
HETATM    4  C   UNL     1       0.060  -2.385  -0.491  1.00  0.00           C  
HETATM    5  C   UNL     1       4.712  -4.045   0.090  1.00  0.00           C  
HETATM    6  C   UNL     1       2.261  -1.319  -0.184  1.00  0.00           C  
HETATM    7  C   UNL     1       0.059  -2.853  -1.948  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.348  -2.057  -0.068  1.00  0.00           C  
HETATM    9  C   UNL     1       3.086  -0.178  -0.042  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.831   2.519  -0.212  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.822   2.732  -1.363  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.617   1.891  -0.889  1.00  0.00           C  
HETATM   13  N   UNL     1      -5.180   0.858  -0.008  1.00  0.00           N  
HETATM   14  C   UNL     1      -6.435   1.188   0.395  1.00  0.00           C  
HETATM   15  N   UNL     1      -6.889   0.240   1.177  1.00  0.00           N  
HETATM   16  C   UNL     1      -5.967  -0.719   1.306  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.877  -0.359   0.569  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.624  -1.119   0.419  1.00  0.00           C  
HETATM   19  S   UNL     1      -2.195  -0.562  -0.442  1.00  0.00           S  
HETATM   20  C   UNL     1      -3.395  -2.351   0.920  1.00  0.00           C  
HETATM   21  N   UNL     1       0.899  -1.190  -0.363  1.00  0.00           N  
HETATM   22  N   UNL     1       2.829  -2.516  -0.126  1.00  0.00           N  
HETATM   23  N   UNL     1       4.948  -1.634   0.178  1.00  0.00           N  
HETATM   24  C   UNL     1       5.318   0.733   0.283  1.00  0.00           C  
HETATM   25  C   UNL     1       2.566   1.122  -0.082  1.00  0.00           C  
HETATM   26  C   UNL     1       3.405   2.190   0.060  1.00  0.00           C  
HETATM   27  O   UNL     1       2.899   3.452   0.022  1.00  0.00           O  
HETATM   28  C   UNL     1       1.489   3.580  -0.169  1.00  0.00           C  
HETATM   29  C   UNL     1       4.782   2.000   0.240  1.00  0.00           C  
HETATM   30  O   UNL     1       5.597   3.079   0.379  1.00  0.00           O  
HETATM   31  C   UNL     1       6.990   2.821   0.560  1.00  0.00           C  
HETATM   32  H   UNL     1      -1.826  -3.836   0.985  1.00  0.00           H  
HETATM   33  H   UNL     1       0.456  -3.176   0.145  1.00  0.00           H  
HETATM   34  H   UNL     1       4.714  -4.404   1.120  1.00  0.00           H  
HETATM   35  H   UNL     1       4.105  -4.710  -0.525  1.00  0.00           H  
HETATM   36  H   UNL     1       5.733  -4.028  -0.291  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.337  -2.062  -2.584  1.00  0.00           H  
HETATM   38  H   UNL     1       1.078  -3.090  -2.254  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.564  -3.742  -2.043  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.740   3.316   0.526  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.848   2.474  -0.600  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.218   2.351  -2.304  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.551   3.784  -1.454  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.121   1.429  -1.742  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.914   2.516  -0.338  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.067  -1.621   1.891  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.134  -2.896   1.489  1.00  0.00           H  
HETATM   48  H   UNL     1       0.496  -0.308  -0.405  1.00  0.00           H  
HETATM   49  H   UNL     1       6.380   0.595   0.422  1.00  0.00           H  
HETATM   50  H   UNL     1       1.507   1.278  -0.224  1.00  0.00           H  
HETATM   51  H   UNL     1       1.207   3.122  -1.117  1.00  0.00           H  
HETATM   52  H   UNL     1       0.965   3.079   0.646  1.00  0.00           H  
HETATM   53  H   UNL     1       1.218   4.635  -0.180  1.00  0.00           H  
HETATM   54  H   UNL     1       7.136   2.226   1.461  1.00  0.00           H  
HETATM   55  H   UNL     1       7.373   2.274  -0.302  1.00  0.00           H  
HETATM   56  H   UNL     1       7.525   3.765   0.657  1.00  0.00           H  
CONECT    1    9    9   23   24                                       
CONECT    2    8    8   20   32                                       
CONECT    3   22    5   23   23                                       
CONECT    4    7    8   21   33                                       
CONECT    5    3   34   35   36                                       
CONECT    6   21   22   22    9                                       
CONECT    7    4   37   38   39                                       
CONECT    8    4    2    2   19                                       
CONECT    9    6   25    1    1                                       
CONECT   10   14   11   40   41                                       
CONECT   11   12   10   42   43                                       
CONECT   12   13   11   44   45                                       
CONECT   13   17   12   14                                            
CONECT   14   13   15   15   10                                       
CONECT   15   16   14   14                                            
CONECT   16   17   17   15   46                                       
CONECT   17   18   16   16   13                                       
CONECT   18   20   20   19   17                                       
CONECT   19    8   18                                                 
CONECT   20    2   18   18   47                                       
CONECT   21    4    6   48                                            
CONECT   22    6    6    3                                            
CONECT   23    3    3    1                                            
CONECT   24    1   29   29   49                                       
CONECT   25    9   26   26   50                                       
CONECT   26   25   25   27   29                                       
CONECT   27   28   26                                                 
CONECT   28   27   51   52   53                                       
CONECT   29   26   24   24   30                                       
CONECT   30   29   31                                                 
CONECT   31   30   54   55   56                                       
CONECT   32    2                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   16                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
