COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.694   0.535  -0.444  1.00  0.00           C  
HETATM    2  C   UNL     1       9.102   1.783  -0.560  1.00  0.00           C  
HETATM    3  C   UNL     1       7.732   1.910  -0.486  1.00  0.00           C  
HETATM    4  C   UNL     1       6.941   0.780  -0.293  1.00  0.00           C  
HETATM    5  C   UNL     1       0.482   0.512   0.168  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.205   1.821  -0.083  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.922   0.513   0.959  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.385  -0.249   0.317  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.176  -0.675  -2.087  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.957  -0.307   1.526  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.619  -0.068   1.285  1.00  0.00           C  
HETATM   12  C   UNL     1       6.765  -2.864   0.173  1.00  0.00           C  
HETATM   13  C   UNL     1       8.923  -0.592  -0.252  1.00  0.00           C  
HETATM   14  C   UNL     1       3.051  -0.430   0.116  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.541  -0.855  -1.982  1.00  0.00           C  
HETATM   16  C   UNL     1       7.539  -0.484  -0.175  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.993   0.229   0.301  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.015  -0.098   0.141  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.543   1.577   0.154  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.239   0.997   0.479  1.00  0.00           C  
HETATM   21  N   UNL     1       6.539  -1.426   0.009  1.00  0.00           N  
HETATM   22  C   UNL     1       5.489   0.566  -0.170  1.00  0.00           C  
HETATM   23  N   UNL     1       4.431   1.364  -0.200  1.00  0.00           N  
HETATM   24  N   UNL     1       3.247   0.873  -0.060  1.00  0.00           N  
HETATM   25  S   UNL     1       1.407  -1.038   0.300  1.00  0.00           S  
HETATM   26  O   UNL     1      -1.380  -0.908   0.468  1.00  0.00           O  
HETATM   27  N   UNL     1      -1.881   1.240   0.234  1.00  0.00           N  
HETATM   28  O   UNL     1      -7.240   0.273   1.191  1.00  0.00           O  
HETATM   29  C   UNL     1     -10.163  -0.634  -0.761  1.00  0.00           C  
HETATM   30  N   UNL     1      -7.459  -0.313  -1.040  1.00  0.00           N  
HETATM   31  N   UNL     1       4.067  -1.281   0.154  1.00  0.00           N  
HETATM   32  C   UNL     1       5.307  -0.820   0.015  1.00  0.00           C  
HETATM   33  H   UNL     1      10.769   0.444  -0.507  1.00  0.00           H  
HETATM   34  H   UNL     1       9.717   2.658  -0.709  1.00  0.00           H  
HETATM   35  H   UNL     1       7.272   2.883  -0.577  1.00  0.00           H  
HETATM   36  H   UNL     1       0.678   0.971  -0.800  1.00  0.00           H  
HETATM   37  H   UNL     1       0.795   1.190   0.962  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.909   2.649  -0.710  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.836  -0.073   1.282  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.688  -0.842  -3.035  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.253  -1.136   2.152  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.868  -0.706   1.726  1.00  0.00           H  
HETATM   43  H   UNL     1       6.889  -3.094   1.231  1.00  0.00           H  
HETATM   44  H   UNL     1       5.909  -3.413  -0.221  1.00  0.00           H  
HETATM   45  H   UNL     1       7.664  -3.155  -0.370  1.00  0.00           H  
HETATM   46  H   UNL     1       9.394  -1.560  -0.168  1.00  0.00           H  
HETATM   47  H   UNL     1     -10.120  -1.151  -2.844  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.294   2.215  -0.287  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.581   2.137   0.016  1.00  0.00           H  
HETATM   50  H   UNL     1     -11.231  -0.760  -0.654  1.00  0.00           H  
CONECT    1    2    2   13   33                                       
CONECT    2    3    1    1   34                                       
CONECT    3    4    4    2   35                                       
CONECT    4   22    3    3   16                                       
CONECT    5   25   17   36   37                                       
CONECT    6   20   20   19   38                                       
CONECT    7   10   28   19   19                                       
CONECT    8   29   29   18   39                                       
CONECT    9   15   15   30   40                                       
CONECT   10   11   11    7   41                                       
CONECT   11   10   10   20   42                                       
CONECT   12   21   43   44   45                                       
CONECT   13   16   16    1   46                                       
CONECT   14   24   25   31   31                                       
CONECT   15   29    9    9   47                                       
CONECT   16    4   21   13   13                                       
CONECT   17    5   26   26   27                                       
CONECT   18    8   28   30   30                                       
CONECT   19    7    7    6   48                                       
CONECT   20   11   27    6    6                                       
CONECT   21   32   16   12                                            
CONECT   22   23    4   32   32                                       
CONECT   23   24   24   22                                            
CONECT   24   23   23   14                                            
CONECT   25    5   14                                                 
CONECT   26   17   17                                                 
CONECT   27   17   20   49                                            
CONECT   28   18    7                                                 
CONECT   29    8    8   15   50                                       
CONECT   30   18   18    9                                            
CONECT   31   14   14   32                                            
CONECT   32   22   22   31   21                                       
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   15                                                      
CONECT   48   19                                                      
CONECT   49   27                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
