COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.504  -0.460  -0.760  1.00  0.00           C  
HETATM    2  C   UNL     1       5.813  -0.349  -1.154  1.00  0.00           C  
HETATM    3  C   UNL     1       6.437   0.890  -1.172  1.00  0.00           C  
HETATM    4  C   UNL     1       1.988   2.049   0.387  1.00  0.00           C  
HETATM    5  C   UNL     1       0.660   2.271   0.836  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.552   1.422   1.403  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.895   1.903   0.681  1.00  0.00           C  
HETATM    8  C   UNL     1       5.747   2.017  -0.794  1.00  0.00           C  
HETATM    9  C   UNL     1       4.408   1.924  -0.388  1.00  0.00           C  
HETATM   10  C   UNL     1       3.777   0.685  -0.374  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.458   1.693   0.200  1.00  0.00           C  
HETATM   12  C   UNL     1       0.263  -0.033   0.629  1.00  0.00           C  
HETATM   13  C   UNL     1       2.380   0.765   0.075  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.674  -4.059   0.652  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.521  -4.044   0.289  1.00  0.00           C  
HETATM   16  O   UNL     1       0.085  -5.186  -0.071  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.705  -6.402   0.001  1.00  0.00           C  
HETATM   18  C   UNL     1       0.148  -7.592  -0.444  1.00  0.00           C  
HETATM   19  C   UNL     1       0.236  -2.742   0.240  1.00  0.00           C  
HETATM   20  S   UNL     1      -0.846  -1.395   0.781  1.00  0.00           S  
HETATM   21  N   UNL     1       1.484  -0.248   0.211  1.00  0.00           N  
HETATM   22  N   UNL     1      -0.176   1.220   0.943  1.00  0.00           N  
HETATM   23  O   UNL     1       0.282   3.395   1.121  1.00  0.00           O  
HETATM   24  S   UNL     1       3.303   3.184   0.138  1.00  0.00           S  
HETATM   25  N   UNL     1      -4.765   2.164  -0.474  1.00  0.00           N  
HETATM   26  C   UNL     1      -6.107   2.606  -0.037  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.120   2.047  -1.054  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.273   1.241  -2.065  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.984   0.927  -1.265  1.00  0.00           C  
HETATM   30  H   UNL     1       4.027  -1.429  -0.749  1.00  0.00           H  
HETATM   31  H   UNL     1       6.361  -1.231  -1.452  1.00  0.00           H  
HETATM   32  H   UNL     1       7.468   0.970  -1.483  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.587   2.273   2.083  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.896   0.527   1.923  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.239   1.009   1.201  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.930   2.754   1.362  1.00  0.00           H  
HETATM   37  H   UNL     1       6.239   2.978  -0.806  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.114   2.588  -0.319  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.424   0.842  -0.480  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.040  -6.558   1.026  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.572  -6.312  -0.654  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.445  -8.505  -0.390  1.00  0.00           H  
HETATM   43  H   UNL     1       0.482  -7.436  -1.470  1.00  0.00           H  
HETATM   44  H   UNL     1       1.015  -7.682   0.211  1.00  0.00           H  
HETATM   45  H   UNL     1       1.101  -2.800   0.900  1.00  0.00           H  
HETATM   46  H   UNL     1       0.569  -2.553  -0.780  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.323   2.214   0.956  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.154   3.695  -0.027  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.835   1.394  -0.554  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.638   2.862  -1.559  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.784   0.321  -2.350  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.047   1.843  -2.945  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.146   0.748  -1.940  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.138   0.071  -0.607  1.00  0.00           H  
CONECT    1   10   10    2   30                                       
CONECT    2    3    3    1   31                                       
CONECT    3    8    2    2   32                                       
CONECT    4   24    5   13   13                                       
CONECT    5   23   23    4   22                                       
CONECT    6   22   11   33   34                                       
CONECT    7   11   25   35   36                                       
CONECT    8    9    9    3   37                                       
CONECT    9   24    8    8   10                                       
CONECT   10    9   13    1    1                                       
CONECT   11    6    7   38   39                                       
CONECT   12   22   21   21   20                                       
CONECT   13    4    4   10   21                                       
CONECT   14   15   15                                                 
CONECT   15   19   16   14   14                                       
CONECT   16   15   17                                                 
CONECT   17   16   18   40   41                                       
CONECT   18   17   42   43   44                                       
CONECT   19   20   15   45   46                                       
CONECT   20   12   19                                                 
CONECT   21   13   12   12                                            
CONECT   22    5    6   12                                            
CONECT   23    5    5                                                 
CONECT   24    9    4                                                 
CONECT   25    7   26   29                                            
CONECT   26   25   27   47   48                                       
CONECT   27   26   28   49   50                                       
CONECT   28   27   29   51   52                                       
CONECT   29   25   28   53   54                                       
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
