COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.203   0.077  -0.739  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.469   1.556   0.043  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.471   2.115  -0.697  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.352   1.380  -1.082  1.00  0.00           C  
HETATM    5  C   UNL     1       2.447  -0.690   0.138  1.00  0.00           C  
HETATM    6  C   UNL     1       4.859  -0.379  -0.008  1.00  0.00           C  
HETATM    7  C   UNL     1       5.919   0.579   0.541  1.00  0.00           C  
HETATM    8  C   UNL     1       7.297   0.168   0.018  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.197  -2.466   0.815  1.00  0.00           C  
HETATM   10  C   UNL     1       8.357   1.125   0.567  1.00  0.00           C  
HETATM   11  C   UNL     1       9.735   0.715   0.044  1.00  0.00           C  
HETATM   12  C   UNL     1      10.795   1.672   0.593  1.00  0.00           C  
HETATM   13  S   UNL     1      -0.766  -0.808  -1.244  1.00  0.00           S  
HETATM   14  C   UNL     1      -3.201  -0.573   0.032  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.377   0.192   0.439  1.00  0.00           C  
HETATM   16  N   UNL     1      -5.576   2.318   0.412  1.00  0.00           N  
HETATM   17  C   UNL     1      -5.184   3.421   1.300  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.287   2.822  -0.770  1.00  0.00           C  
HETATM   19  N   UNL     1      -5.199  -0.564   1.146  1.00  0.00           N  
HETATM   20  N   UNL     1      -3.279  -1.815   0.482  1.00  0.00           N  
HETATM   21  S   UNL     1      -4.601  -1.994   1.280  1.00  0.00           S  
HETATM   22  N   UNL     1       0.075  -1.202   0.127  1.00  0.00           N  
HETATM   23  C   UNL     1       1.089  -0.285   0.653  1.00  0.00           C  
HETATM   24  N   UNL     1       3.539   0.015   0.493  1.00  0.00           N  
HETATM   25  O   UNL     1      -1.224  -2.033  -1.800  1.00  0.00           O  
HETATM   26  O   UNL     1       0.043   0.115  -1.959  1.00  0.00           O  
HETATM   27  O   UNL     1       2.556  -1.649  -0.596  1.00  0.00           O  
HETATM   28  H   UNL     1      -3.550   3.151  -0.993  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.583   1.861  -1.669  1.00  0.00           H  
HETATM   30  H   UNL     1       4.861  -0.337  -1.097  1.00  0.00           H  
HETATM   31  H   UNL     1       5.083  -1.394   0.318  1.00  0.00           H  
HETATM   32  H   UNL     1       5.695   1.594   0.215  1.00  0.00           H  
HETATM   33  H   UNL     1       5.917   0.538   1.630  1.00  0.00           H  
HETATM   34  H   UNL     1       7.521  -0.848   0.344  1.00  0.00           H  
HETATM   35  H   UNL     1       7.299   0.209  -1.071  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.980  -2.315   1.558  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.523  -3.212   0.090  1.00  0.00           H  
HETATM   38  H   UNL     1       0.711  -2.813   1.310  1.00  0.00           H  
HETATM   39  H   UNL     1       8.132   2.141   0.241  1.00  0.00           H  
HETATM   40  H   UNL     1       8.354   1.084   1.656  1.00  0.00           H  
HETATM   41  H   UNL     1       9.959  -0.301   0.370  1.00  0.00           H  
HETATM   42  H   UNL     1       9.737   0.756  -1.045  1.00  0.00           H  
HETATM   43  H   UNL     1      10.570   2.688   0.267  1.00  0.00           H  
HETATM   44  H   UNL     1      10.792   1.630   1.682  1.00  0.00           H  
HETATM   45  H   UNL     1      11.776   1.379   0.220  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.472   4.066   0.786  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.067   3.999   1.573  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.723   3.016   2.201  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.627   1.981  -1.375  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.146   3.413  -0.454  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.615   3.445  -1.360  1.00  0.00           H  
HETATM   52  H   UNL     1       1.087  -0.326   1.742  1.00  0.00           H  
HETATM   53  H   UNL     1       0.865   0.731   0.327  1.00  0.00           H  
HETATM   54  H   UNL     1       3.453   0.782   1.080  1.00  0.00           H  
CONECT    1    4    4   13   14                                       
CONECT    2    3    3   16   15                                       
CONECT    3    4    2    2   28                                       
CONECT    4    3    1    1   29                                       
CONECT    5   27   27   24   23                                       
CONECT    6   24    7   30   31                                       
CONECT    7    6    8   32   33                                       
CONECT    8    7   10   34   35                                       
CONECT    9   22   36   37   38                                       
CONECT   10    8   11   39   40                                       
CONECT   11   12   10   41   42                                       
CONECT   12   11   43   44   45                                       
CONECT   13   22   26   26    1                                       
CONECT   13   25   25                                                 
CONECT   14    1   15   20   20                                       
CONECT   15    2   14   19   19                                       
CONECT   16   17    2   18                                            
CONECT   17   16   46   47   48                                       
CONECT   18   16   49   50   51                                       
CONECT   19   15   15   21                                            
CONECT   20   14   14   21                                            
CONECT   21   20   19                                                 
CONECT   22    9   23   13                                            
CONECT   23   22    5   52   53                                       
CONECT   24    5    6   54                                            
CONECT   25   13   13                                                 
CONECT   26   13   13                                                 
CONECT   27    5    5                                                 
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   23                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
