COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.844  -0.490  -0.178  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.782   0.647  -0.955  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.621   1.429  -0.951  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.539   2.641  -1.772  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.444   3.423  -1.799  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.295   3.129  -1.036  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.292   1.896  -0.159  1.00  0.00           C  
HETATM    8  C   UNL     1       2.150   0.671  -0.132  1.00  0.00           C  
HETATM    9  C   UNL     1       2.184  -0.331  -1.079  1.00  0.00           C  
HETATM   10  C   UNL     1       3.361  -1.027  -1.335  1.00  0.00           C  
HETATM   11  C   UNL     1       4.509  -0.741  -0.661  1.00  0.00           C  
HETATM   12  C   UNL     1       4.517   0.273   0.312  1.00  0.00           C  
HETATM   13  C   UNL     1       5.687   0.590   1.023  1.00  0.00           C  
HETATM   14  C   UNL     1       5.659   1.579   1.959  1.00  0.00           C  
HETATM   15  C   UNL     1       4.486   2.282   2.224  1.00  0.00           C  
HETATM   16  C   UNL     1       3.334   2.002   1.555  1.00  0.00           C  
HETATM   17  C   UNL     1       3.326   0.993   0.579  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.537   1.041  -0.153  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.612  -0.094   0.618  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.768  -0.859   0.611  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.167   1.049  -0.577  1.00  0.00           N  
HETATM   22  N   UNL     1       0.966   1.362   0.118  1.00  0.00           N  
HETATM   23  O   UNL     1      -6.147  -2.510  -1.286  1.00  0.00           O  
HETATM   24  O   UNL     1      -6.309  -2.193   1.044  1.00  0.00           O  
HETATM   25  O   UNL     1      -7.365  -0.619  -0.584  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.323   3.855  -1.083  1.00  0.00           O  
HETATM   27  O   UNL     1       5.561  -3.039  -1.448  1.00  0.00           O  
HETATM   28  O   UNL     1       6.579  -1.027  -2.135  1.00  0.00           O  
HETATM   29  O   UNL     1       6.652  -1.806   0.239  1.00  0.00           O  
HETATM   30  O   UNL     1      -0.515  -1.535   0.867  1.00  0.00           O  
HETATM   31  O   UNL     1      -0.666   0.628   2.111  1.00  0.00           O  
HETATM   32  O   UNL     1      -1.804  -1.307   2.828  1.00  0.00           O  
HETATM   33  S   UNL     1      -6.305  -1.475  -0.182  1.00  0.00           S  
HETATM   34  S   UNL     1       5.982  -1.645  -1.003  1.00  0.00           S  
HETATM   35  S   UNL     1      -1.243  -0.573   1.618  1.00  0.00           S  
HETATM   36  H   UNL     1      -5.626   0.933  -1.566  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.389   2.916  -2.378  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.445   4.303  -2.425  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.101   2.215   0.865  1.00  0.00           H  
HETATM   40  H   UNL     1       1.287  -0.578  -1.627  1.00  0.00           H  
HETATM   41  H   UNL     1       3.364  -1.808  -2.081  1.00  0.00           H  
HETATM   42  H   UNL     1       6.603   0.053   0.829  1.00  0.00           H  
HETATM   43  H   UNL     1       6.560   1.821   2.504  1.00  0.00           H  
HETATM   44  H   UNL     1       4.491   3.061   2.972  1.00  0.00           H  
HETATM   45  H   UNL     1       2.432   2.555   1.771  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.827  -1.751   1.217  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.012   1.119  -1.572  1.00  0.00           H  
HETATM   48  H   UNL     1       0.947   2.066   0.785  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.901  -3.109  -1.375  1.00  0.00           H  
HETATM   50  H   UNL     1       6.301  -3.623  -1.663  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.130  -1.617   3.448  1.00  0.00           H  
CONECT    1   20   20    2   33                                       
CONECT    2    3    3    1   36                                       
CONECT    3   18    4    2    2                                       
CONECT    4    5    5    3   37                                       
CONECT    5    6    4    4   38                                       
CONECT    6   26   26    7    5                                       
CONECT    7   21    6   18   39                                       
CONECT    8   17   17    9   22                                       
CONECT    9   10   10    8   40                                       
CONECT   10   11    9    9   41                                       
CONECT   11   34   12   12   10                                       
CONECT   12   13   11   11   17                                       
CONECT   13   14   14   12   42                                       
CONECT   14   13   13   15   43                                       
CONECT   15   14   16   16   44                                       
CONECT   16   15   15   17   45                                       
CONECT   17   12   16    8    8                                       
CONECT   18    7   19   19    3                                       
CONECT   19   35   18   18   20                                       
CONECT   20   19    1    1   46                                       
CONECT   21   22    7   47                                            
CONECT   22    8   21   48                                            
CONECT   23   33   49                                                 
CONECT   24   33   33                                                 
CONECT   25   33   33                                                 
CONECT   26    6    6                                                 
CONECT   27   34   50                                                 
CONECT   28   34   34                                                 
CONECT   29   34   34                                                 
CONECT   30   35   35                                                 
CONECT   31   35   35                                                 
CONECT   32   35   51                                                 
CONECT   33    1   24   24   25                                       
CONECT   33   25   23                                                 
CONECT   34   29   29   28   28                                       
CONECT   34   27   11                                                 
CONECT   35   30   30   31   31                                       
CONECT   35   32   19                                                 
CONECT   36    2                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    7                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   27                                                      
CONECT   51   32                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
