COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.207  -0.225  -0.439  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.437  -1.076  -0.034  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.554  -0.179   0.503  1.00  0.00           C  
HETATM    4  C   UNL     1       0.411  -1.137  -0.560  1.00  0.00           C  
HETATM    5  C   UNL     1       1.633  -0.436  -0.477  1.00  0.00           C  
HETATM    6  C   UNL     1       2.949   1.704  -0.010  1.00  0.00           C  
HETATM    7  C   UNL     1       4.457   3.297   0.208  1.00  0.00           C  
HETATM    8  C   UNL     1       3.151   3.030   0.440  1.00  0.00           C  
HETATM    9  C   UNL     1       7.003   0.843  -0.090  1.00  0.00           C  
HETATM   10  C   UNL     1       8.160  -0.141   1.762  1.00  0.00           C  
HETATM   11  C   UNL     1       7.493  -1.501  -0.093  1.00  0.00           C  
HETATM   12  C   UNL     1       7.611   0.968   1.146  1.00  0.00           C  
HETATM   13  C   UNL     1       8.100  -1.375   1.143  1.00  0.00           C  
HETATM   14  C   UNL     1       6.944  -0.391  -0.709  1.00  0.00           C  
HETATM   15  C   UNL     1       6.400   2.051  -0.758  1.00  0.00           C  
HETATM   16  N   UNL     1       4.999   2.187  -0.350  1.00  0.00           N  
HETATM   17  N   UNL     1       4.107   1.270  -0.468  1.00  0.00           N  
HETATM   18  C   UNL     1       1.682   0.946   0.033  1.00  0.00           C  
HETATM   19  O   UNL     1       0.680   1.461   0.489  1.00  0.00           O  
HETATM   20  C   UNL     1       2.796  -1.092  -0.893  1.00  0.00           C  
HETATM   21  N   UNL     1       2.706  -2.332  -1.344  1.00  0.00           N  
HETATM   22  C   UNL     1       1.544  -2.954  -1.406  1.00  0.00           C  
HETATM   23  N   UNL     1       0.420  -2.382  -1.027  1.00  0.00           N  
HETATM   24  N   UNL     1      -0.767  -0.545  -0.159  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.041  -1.241  -0.358  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.380  -2.108   0.872  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.008  -3.467   0.631  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.906  -2.003   1.078  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.507  -3.294   0.968  1.00  0.00           O  
HETATM   30  O   UNL     1      -6.049   0.649  -0.550  1.00  0.00           O  
HETATM   31  S   UNL     1      -7.170   1.587  -0.126  1.00  0.00           S  
HETATM   32  O   UNL     1      -7.671   2.178  -1.317  1.00  0.00           O  
HETATM   33  O   UNL     1      -7.984   0.855   0.780  1.00  0.00           O  
HETATM   34  N   UNL     1      -6.481   2.811   0.749  1.00  0.00           N  
HETATM   35  H   UNL     1      -3.318   0.156  -1.454  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.056   0.594   0.265  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.792  -1.660  -0.883  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.364  -0.800   0.889  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.164   0.447   1.305  1.00  0.00           H  
HETATM   40  H   UNL     1       4.971   4.221   0.426  1.00  0.00           H  
HETATM   41  H   UNL     1       2.416   3.691   0.877  1.00  0.00           H  
HETATM   42  H   UNL     1       8.634  -0.043   2.727  1.00  0.00           H  
HETATM   43  H   UNL     1       7.446  -2.465  -0.576  1.00  0.00           H  
HETATM   44  H   UNL     1       7.657   1.933   1.630  1.00  0.00           H  
HETATM   45  H   UNL     1       8.528  -2.242   1.625  1.00  0.00           H  
HETATM   46  H   UNL     1       6.470  -0.489  -1.674  1.00  0.00           H  
HETATM   47  H   UNL     1       6.952   2.944  -0.464  1.00  0.00           H  
HETATM   48  H   UNL     1       6.453   1.932  -1.840  1.00  0.00           H  
HETATM   49  H   UNL     1       3.753  -0.594  -0.848  1.00  0.00           H  
HETATM   50  H   UNL     1       1.513  -3.966  -1.781  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.753   0.332   0.254  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.004  -1.852  -1.259  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.859  -1.729   1.752  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.196  -4.063   1.369  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.120  -1.573   2.057  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.214  -3.924   1.641  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.522   2.821   0.899  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.035   3.519   1.113  1.00  0.00           H  
CONECT    1    2   25   35   36                                       
CONECT    2   28    3    1   37                                       
CONECT    3   30    2   38   39                                       
CONECT    4   23   24    5    5                                       
CONECT    5    4    4   20   18                                       
CONECT    6   18    8   17   17                                       
CONECT    7    8    8   16   40                                       
CONECT    8    6    7    7   41                                       
CONECT    9   12   15   14   14                                       
CONECT   10   12   12   13   42                                       
CONECT   11   13   13   14   43                                       
CONECT   12   10   10    9   44                                       
CONECT   13   10   11   11   45                                       
CONECT   14    9    9   11   46                                       
CONECT   15   16    9   47   48                                       
CONECT   16   17    7   15                                            
CONECT   17    6    6   16                                            
CONECT   18    5   19   19    6                                       
CONECT   19   18   18                                                 
CONECT   20   21   21    5   49                                       
CONECT   21   22   20   20                                            
CONECT   22   23   23   21   50                                       
CONECT   23   22   22    4                                            
CONECT   24   25    4   51                                            
CONECT   25   26    1   24   52                                       
CONECT   26   28   27   25   53                                       
CONECT   27   26   54                                                 
CONECT   28   29    2   26   55                                       
CONECT   29   28   56                                                 
CONECT   30   31    3                                                 
CONECT   31   32   32   30   33                                       
CONECT   31   33   34                                                 
CONECT   32   31   31                                                 
CONECT   33   31   31                                                 
CONECT   34   31   57   58                                            
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   20                                                      
CONECT   50   22                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   34                                                      
CONECT   58   34                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
