COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.800   0.037   0.369  1.00  0.00           C  
HETATM    2  C   UNL     1       3.999  -1.348   0.243  1.00  0.00           C  
HETATM    3  C   UNL     1       5.310  -1.843   0.354  1.00  0.00           C  
HETATM    4  C   UNL     1       1.873  -0.979   0.025  1.00  0.00           C  
HETATM    5  N   UNL     1       6.296  -0.980   0.572  1.00  0.00           N  
HETATM    6  N   UNL     1       4.849   0.823   0.586  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.395  -4.115  -1.907  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.285  -2.781  -1.167  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.959  -2.727  -0.406  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.340  -1.632  -2.176  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.446  -2.648  -0.179  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.330  -3.655   0.829  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.405  -1.286   0.465  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.972  -1.160   1.590  1.00  0.00           O  
HETATM   15  N   UNL     1      -3.849  -0.208  -0.211  1.00  0.00           N  
HETATM   16  S   UNL     1      -3.928   1.266   0.540  1.00  0.00           S  
HETATM   17  O   UNL     1      -4.397   2.188  -0.434  1.00  0.00           O  
HETATM   18  O   UNL     1      -4.583   1.048   1.783  1.00  0.00           O  
HETATM   19  O   UNL     1      -2.501   1.679   0.873  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.748   2.125  -0.257  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.338   2.513   0.193  1.00  0.00           C  
HETATM   22  O   UNL     1       0.370   1.345   0.642  1.00  0.00           O  
HETATM   23  C   UNL     1       0.450   3.096  -0.997  1.00  0.00           C  
HETATM   24  O   UNL     1       0.857   4.437  -0.717  1.00  0.00           O  
HETATM   25  C   UNL     1       1.684   2.171  -1.126  1.00  0.00           C  
HETATM   26  O   UNL     1       2.863   2.929  -1.402  1.00  0.00           O  
HETATM   27  C   UNL     1       1.757   1.529   0.283  1.00  0.00           C  
HETATM   28  N   UNL     1       2.450   0.240   0.227  1.00  0.00           N  
HETATM   29  N   UNL     1       2.784  -1.908   0.029  1.00  0.00           N  
HETATM   30  C   UNL     1       6.060   0.315   0.684  1.00  0.00           C  
HETATM   31  N   UNL     1       5.567  -3.198   0.239  1.00  0.00           N  
HETATM   32  H   UNL     1       0.817  -1.147  -0.122  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.355  -4.934  -1.188  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.340  -4.153  -2.449  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.568  -4.210  -2.611  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.132  -2.822  -1.110  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.880  -1.777   0.122  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.919  -3.546   0.313  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.285  -1.669  -2.718  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.261  -0.681  -1.648  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.514  -1.727  -2.880  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.390  -2.771  -0.709  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.512  -3.606   1.342  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.123  -0.295  -1.138  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.687   1.324  -0.993  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.238   2.991  -0.701  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.393   3.245   0.998  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.152   3.063  -1.905  1.00  0.00           H  
HETATM   49  H   UNL     1       1.357   4.854  -1.432  1.00  0.00           H  
HETATM   50  H   UNL     1       1.523   1.413  -1.892  1.00  0.00           H  
HETATM   51  H   UNL     1       2.828   3.423  -2.233  1.00  0.00           H  
HETATM   52  H   UNL     1       2.250   2.200   0.986  1.00  0.00           H  
HETATM   53  H   UNL     1       6.890   0.981   0.862  1.00  0.00           H  
HETATM   54  H   UNL     1       4.839  -3.818   0.079  1.00  0.00           H  
HETATM   55  H   UNL     1       6.476  -3.527   0.317  1.00  0.00           H  
CONECT    1    2    2    6   28                                       
CONECT    2    1    1    3   29                                       
CONECT    3    2    5    5   31                                       
CONECT    4   28   29   29   32                                       
CONECT    5    3    3   30                                            
CONECT    6    1   30   30                                            
CONECT    7    8   33   34   35                                       
CONECT    8    7    9   10   11                                       
CONECT    9    8   36   37   38                                       
CONECT   10    8   39   40   41                                       
CONECT   11    8   12   13   42                                       
CONECT   12   11   43                                                 
CONECT   13   11   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   44                                            
CONECT   16   15   17   17   18                                       
CONECT   16   18   19                                                 
CONECT   17   16   16                                                 
CONECT   18   16   16                                                 
CONECT   19   16   20                                                 
CONECT   20   19   21   45   46                                       
CONECT   21   20   22   23   47                                       
CONECT   22   21   27                                                 
CONECT   23   21   24   25   48                                       
CONECT   24   23   49                                                 
CONECT   25   23   26   27   50                                       
CONECT   26   25   51                                                 
CONECT   27   22   25   28   52                                       
CONECT   28    1    4   27                                            
CONECT   29    2    4    4                                            
CONECT   30    5    6    6   53                                       
CONECT   31    3   54   55                                            
CONECT   32    4                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   15                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
