COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.414   1.497   2.566  1.00  0.00           C  
HETATM    2  C   UNL     1       3.248   1.854   1.088  1.00  0.00           C  
HETATM    3  C   UNL     1       3.669   0.683   0.238  1.00  0.00           C  
HETATM    4  N   UNL     1       3.637  -1.199  -0.945  1.00  0.00           N  
HETATM    5  C   UNL     1       2.870  -0.332  -0.198  1.00  0.00           C  
HETATM    6  C   UNL     1       1.436  -0.477   0.083  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.587  -1.721  -0.064  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.418  -0.626   0.124  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.746  -0.815   0.458  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.249  -2.095   0.606  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.428  -3.191   0.421  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.096  -3.010   0.085  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.286  -4.087  -0.097  1.00  0.00           O  
HETATM   14  C   UNL     1      -5.743   0.320  -1.166  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.804   1.875  -1.676  1.00  0.00           C  
HETATM   16  C   UNL     1       6.159   1.260  -0.059  1.00  0.00           C  
HETATM   17  O   UNL     1       6.832   1.117   0.941  1.00  0.00           O  
HETATM   18  C   UNL     1       4.968   0.431  -0.266  1.00  0.00           C  
HETATM   19  C   UNL     1       4.899  -0.748  -0.991  1.00  0.00           C  
HETATM   20  C   UNL     1       6.047  -1.410  -1.709  1.00  0.00           C  
HETATM   21  C   UNL     1       6.548   2.291  -1.087  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.899   1.259  -0.814  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.380   3.278  -1.477  1.00  0.00           C  
HETATM   24  N   UNL     1       0.757  -1.532  -0.408  1.00  0.00           N  
HETATM   25  N   UNL     1      -4.475   0.938  -0.772  1.00  0.00           N  
HETATM   26  O   UNL     1       0.861   0.356   0.760  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.863   0.137   1.530  1.00  0.00           O  
HETATM   28  O   UNL     1      -2.952   1.669   1.028  1.00  0.00           O  
HETATM   29  S   UNL     1      -3.799   0.577   0.697  1.00  0.00           S  
HETATM   30  H   UNL     1       2.793   0.633   2.804  1.00  0.00           H  
HETATM   31  H   UNL     1       4.459   1.259   2.767  1.00  0.00           H  
HETATM   32  H   UNL     1       3.110   2.343   3.181  1.00  0.00           H  
HETATM   33  H   UNL     1       2.203   2.092   0.887  1.00  0.00           H  
HETATM   34  H   UNL     1       3.869   2.717   0.850  1.00  0.00           H  
HETATM   35  H   UNL     1       3.314  -2.007  -1.373  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.028   0.374   0.009  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.287  -2.238   0.868  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.824  -4.189   0.537  1.00  0.00           H  
HETATM   39  H   UNL     1       0.161  -4.384   0.707  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.868  -0.624  -0.636  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.739   0.136  -2.240  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.962   1.560  -2.708  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.736   1.887  -1.460  1.00  0.00           H  
HETATM   44  H   UNL     1       6.158  -0.971  -2.700  1.00  0.00           H  
HETATM   45  H   UNL     1       6.965  -1.260  -1.141  1.00  0.00           H  
HETATM   46  H   UNL     1       5.848  -2.477  -1.804  1.00  0.00           H  
HETATM   47  H   UNL     1       7.141   1.818  -1.869  1.00  0.00           H  
HETATM   48  H   UNL     1       5.649   2.725  -1.525  1.00  0.00           H  
HETATM   49  H   UNL     1       7.135   3.076  -0.611  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.903   1.443   0.260  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.774   2.203  -1.344  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.843   0.799  -1.107  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.449   3.266  -1.693  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.222   3.592  -0.445  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.881   3.975  -2.150  1.00  0.00           H  
HETATM   56  H   UNL     1       1.199  -2.160  -1.000  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    3    1   33   34                                       
CONECT    3   18    5    5    2                                       
CONECT    4   19    5   35                                            
CONECT    5    4    6    3    3                                       
CONECT    6   26   26    5   24                                       
CONECT    7    8   24   12   12                                       
CONECT    8    9    9    7   36                                       
CONECT    9   29    8    8   10                                       
CONECT   10    9   11   11   37                                       
CONECT   11   10   10   12   38                                       
CONECT   12    7    7   11   13                                       
CONECT   13   12   39                                                 
CONECT   14   22   25   40   41                                       
CONECT   15   23   25   42   43                                       
CONECT   16   17   17   18   21                                       
CONECT   17   16   16                                                 
CONECT   18   19   19   16    3                                       
CONECT   19   20    4   18   18                                       
CONECT   20   19   44   45   46                                       
CONECT   21   16   47   48   49                                       
CONECT   22   14   50   51   52                                       
CONECT   23   15   53   54   55                                       
CONECT   24    6    7   56                                            
CONECT   25   14   15   29                                            
CONECT   26    6    6                                                 
CONECT   27   29   29                                                 
CONECT   28   29   29                                                 
CONECT   29   27   27   25    9                                       
CONECT   29   28   28                                                 
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
