COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -2.357  -1.316  -1.470  1.00  0.00           S  
HETATM    2  N   UNL     1      -1.002  -0.395  -1.226  1.00  0.00           N  
HETATM    3  C   UNL     1       1.131   0.179  -0.299  1.00  0.00           C  
HETATM    4  C   UNL     1       0.495   1.479  -0.861  1.00  0.00           C  
HETATM    5  C   UNL     1       2.609   0.133  -0.588  1.00  0.00           C  
HETATM    6  C   UNL     1       0.374  -0.908  -1.102  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.973   1.069  -1.105  1.00  0.00           C  
HETATM    8  N   UNL     1       3.319  -0.975  -0.295  1.00  0.00           N  
HETATM    9  C   UNL     1       0.576   2.596   0.147  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.592   6.613   1.035  1.00  0.00           N  
HETATM   11  O   UNL     1      -3.322  -0.461  -2.066  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.916  -2.527  -2.070  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.987  -1.748   0.118  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.661   6.075   0.342  1.00  0.00           C  
HETATM   15  O   UNL     1       3.161   1.093  -1.084  1.00  0.00           O  
HETATM   16  O   UNL     1       1.169   2.428   1.192  1.00  0.00           O  
HETATM   17  N   UNL     1      -0.010   3.782  -0.111  1.00  0.00           N  
HETATM   18  O   UNL     1       4.857  -2.725   1.165  1.00  0.00           O  
HETATM   19  C   UNL     1       2.671  -2.154   0.301  1.00  0.00           C  
HETATM   20  C   UNL     1       4.763  -1.044  -0.568  1.00  0.00           C  
HETATM   21  C   UNL     1       0.070   4.867   0.869  1.00  0.00           C  
HETATM   22  C   UNL     1       5.474  -1.520   0.704  1.00  0.00           C  
HETATM   23  C   UNL     1       3.479  -2.579   1.533  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.556  -2.904   0.741  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.907  -0.927   0.743  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.402  -1.266   1.988  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.051  -3.243   1.987  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.976  -2.425   2.609  1.00  0.00           C  
HETATM   29  H   UNL     1       0.941   0.079   0.770  1.00  0.00           H  
HETATM   30  H   UNL     1       0.975   1.767  -1.796  1.00  0.00           H  
HETATM   31  H   UNL     1       0.379  -1.853  -0.559  1.00  0.00           H  
HETATM   32  H   UNL     1       0.823  -1.033  -2.087  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.338   1.528  -2.024  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.589   1.382  -0.262  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.827   6.244   1.900  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.399   6.487  -0.622  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.484   3.917  -0.947  1.00  0.00           H  
HETATM   38  H   UNL     1       1.653  -1.902   0.599  1.00  0.00           H  
HETATM   39  H   UNL     1       2.651  -2.968  -0.423  1.00  0.00           H  
HETATM   40  H   UNL     1       4.951  -1.748  -1.379  1.00  0.00           H  
HETATM   41  H   UNL     1       5.132  -0.056  -0.847  1.00  0.00           H  
HETATM   42  H   UNL     1       1.115   5.123   1.045  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.388   4.546   1.805  1.00  0.00           H  
HETATM   44  H   UNL     1       5.391  -0.752   1.473  1.00  0.00           H  
HETATM   45  H   UNL     1       6.525  -1.709   0.489  1.00  0.00           H  
HETATM   46  H   UNL     1       3.098  -3.528   1.909  1.00  0.00           H  
HETATM   47  H   UNL     1       3.389  -1.817   2.308  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.834  -3.543   0.255  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.240  -0.022   0.258  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.120  -0.624   2.477  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.714  -4.146   2.474  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.362  -2.690   3.583  1.00  0.00           H  
CONECT    1   12   12   11   11                                       
CONECT    1    2   13                                                 
CONECT    2    7    1    6                                            
CONECT    3    4    5    6   29                                       
CONECT    4    9    7    3   30                                       
CONECT    5   15   15    3    8                                       
CONECT    6    3    2   31   32                                       
CONECT    7    4    2   33   34                                       
CONECT    8   19    5   20                                            
CONECT    9   17   16   16    4                                       
CONECT   10   14   14   35                                            
CONECT   11    1    1                                                 
CONECT   12    1    1                                                 
CONECT   13    1   25   25   24                                       
CONECT   14   10   10   21   36                                       
CONECT   15    5    5                                                 
CONECT   16    9    9                                                 
CONECT   17   21    9   37                                            
CONECT   18   23   22                                                 
CONECT   19   23    8   38   39                                       
CONECT   20    8   22   40   41                                       
CONECT   21   14   17   42   43                                       
CONECT   22   18   20   44   45                                       
CONECT   23   19   18   46   47                                       
CONECT   24   13   27   27   48                                       
CONECT   25   13   13   26   49                                       
CONECT   26   25   28   28   50                                       
CONECT   27   24   24   28   51                                       
CONECT   28   26   26   27   52                                       
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35   10                                                      
CONECT   36   14                                                      
CONECT   37   17                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
