COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.025   4.102  -1.564  1.00  0.00           C  
HETATM    2  N   UNL     1       1.433   2.777  -0.146  1.00  0.00           N  
HETATM    3  C   UNL     1       0.330   1.880  -0.578  1.00  0.00           C  
HETATM    4  C   UNL     1       4.953   1.205   0.235  1.00  0.00           C  
HETATM    5  C   UNL     1       8.243  -0.594   0.514  1.00  0.00           C  
HETATM    6  C   UNL     1       8.519  -2.050   0.244  1.00  0.00           C  
HETATM    7  C   UNL     1       8.884  -2.461  -1.024  1.00  0.00           C  
HETATM    8  C   UNL     1       9.026  -4.723  -0.251  1.00  0.00           C  
HETATM    9  C   UNL     1       8.413  -2.975   1.267  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.052  -0.941   1.126  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.745  -0.416   0.590  1.00  0.00           C  
HETATM   12  N   UNL     1      -6.192   0.690   1.126  1.00  0.00           N  
HETATM   13  C   UNL     1      -4.984   1.175   0.630  1.00  0.00           C  
HETATM   14  N   UNL     1      -4.305   0.648  -0.339  1.00  0.00           N  
HETATM   15  N   UNL     1      -3.134   1.295  -0.667  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.860   2.349   0.037  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.737   3.152  -0.119  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.745   2.832  -1.147  1.00  0.00           C  
HETATM   19  C   UNL     1       1.500   3.811  -1.210  1.00  0.00           C  
HETATM   20  C   UNL     1       2.631   2.081  -0.052  1.00  0.00           C  
HETATM   21  N   UNL     1       2.791   0.821  -0.311  1.00  0.00           N  
HETATM   22  N   UNL     1       4.071   0.338  -0.149  1.00  0.00           N  
HETATM   23  N   UNL     1       6.303   0.940   0.456  1.00  0.00           N  
HETATM   24  C   UNL     1       6.783  -0.307   0.275  1.00  0.00           C  
HETATM   25  C   UNL     1       9.137  -3.797  -1.272  1.00  0.00           C  
HETATM   26  C   UNL     1       8.667  -4.311   1.019  1.00  0.00           C  
HETATM   27  O   UNL     1       6.040  -1.197  -0.079  1.00  0.00           O  
HETATM   28  S   UNL     1       4.178   2.774   0.426  1.00  0.00           S  
HETATM   29  S   UNL     1      -4.141   2.605   1.217  1.00  0.00           S  
HETATM   30  O   UNL     1      -6.191  -0.989  -0.325  1.00  0.00           O  
HETATM   31  C   UNL     1      -8.449  -2.176   0.360  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.222  -2.063  -0.780  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.587  -3.196  -1.483  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.179  -4.442  -1.045  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.405  -4.555   0.095  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.036  -3.421   0.795  1.00  0.00           C  
HETATM   37  H   UNL     1      -0.080   4.275  -2.635  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.336   4.964  -1.003  1.00  0.00           H  
HETATM   39  H   UNL     1       0.677   1.194  -1.349  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.064   1.325   0.274  1.00  0.00           H  
HETATM   41  H   UNL     1       8.494  -0.362   1.549  1.00  0.00           H  
HETATM   42  H   UNL     1       8.848   0.021  -0.153  1.00  0.00           H  
HETATM   43  H   UNL     1       8.971  -1.738  -1.822  1.00  0.00           H  
HETATM   44  H   UNL     1       9.223  -5.767  -0.444  1.00  0.00           H  
HETATM   45  H   UNL     1       8.133  -2.653   2.259  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.938  -1.188   2.181  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.823  -0.179   1.013  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.635   1.148   1.857  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.611   3.925   0.453  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.230   2.382  -2.014  1.00  0.00           H  
HETATM   51  H   UNL     1       2.031   3.427  -2.081  1.00  0.00           H  
HETATM   52  H   UNL     1       1.985   4.712  -0.835  1.00  0.00           H  
HETATM   53  H   UNL     1       6.897   1.652   0.739  1.00  0.00           H  
HETATM   54  H   UNL     1       9.417  -4.119  -2.264  1.00  0.00           H  
HETATM   55  H   UNL     1       8.585  -5.033   1.818  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.541  -1.090  -1.122  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.191  -3.108  -2.374  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.464  -5.328  -1.594  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.086  -5.529   0.437  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.429  -3.509   1.683  1.00  0.00           H  
CONECT    1   18   19   37   38                                       
CONECT    2    3   19   20                                            
CONECT    3   18    2   39   40                                       
CONECT    4   22   22   28   23                                       
CONECT    5   24    6   41   42                                       
CONECT    6    9    5    7    7                                       
CONECT    7    6    6   25   43                                       
CONECT    8   26   25   25   44                                       
CONECT    9   26   26    6   45                                       
CONECT   10   31   11   46   47                                       
CONECT   11   10   12   30   30                                       
CONECT   12   11   13   48                                            
CONECT   13   29   12   14   14                                       
CONECT   14   13   13   15                                            
CONECT   15   16   16   14                                            
CONECT   16   29   17   15   15                                       
CONECT   17   16   18   49                                            
CONECT   18   17    1    3   50                                       
CONECT   19    1    2   51   52                                       
CONECT   20   21   21    2   28                                       
CONECT   21   22   20   20                                            
CONECT   22   21    4    4                                            
CONECT   23    4   24   53                                            
CONECT   24   27   27   23    5                                       
CONECT   25    8    8    7   54                                       
CONECT   26    9    9    8   55                                       
CONECT   27   24   24                                                 
CONECT   28   20    4                                                 
CONECT   29   13   16                                                 
CONECT   30   11   11                                                 
CONECT   31   10   32   32   36                                       
CONECT   32   31   31   33   56                                       
CONECT   33   32   34   34   57                                       
CONECT   34   33   33   35   58                                       
CONECT   35   36   36   34   59                                       
CONECT   36   31   35   35   60                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   12                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   23                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   32                                                      
CONECT   57   33                                                      
CONECT   58   34                                                      
CONECT   59   35                                                      
CONECT   60   36                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
