COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.019  -1.216   0.490  1.00  0.00           C  
HETATM    2  C   UNL     1      11.045  -0.228   0.966  1.00  0.00           C  
HETATM    3  C   UNL     1      10.800   0.796   0.071  1.00  0.00           C  
HETATM    4  C   UNL     1       9.607   0.806  -0.635  1.00  0.00           C  
HETATM    5  C   UNL     1       1.507   1.288   0.163  1.00  0.00           C  
HETATM    6  C   UNL     1       2.593   0.751  -0.772  1.00  0.00           C  
HETATM    7  C   UNL     1       5.028   0.234  -0.985  1.00  0.00           C  
HETATM    8  C   UNL     1       8.332  -3.485  -0.237  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.689  -0.757  -1.105  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.818   4.016   0.628  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.614   2.645   0.977  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.929   1.847   0.826  1.00  0.00           C  
HETATM   13  O   UNL     1      -5.984   2.701   0.379  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.648   1.970  -0.022  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.166   0.633  -0.190  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.602   0.785  -0.247  1.00  0.00           C  
HETATM   17  N   UNL     1      -5.262  -0.484   0.073  1.00  0.00           N  
HETATM   18  C   UNL     1      -6.548  -0.805  -0.262  1.00  0.00           C  
HETATM   19  N   UNL     1      -7.521  -0.179  -0.922  1.00  0.00           N  
HETATM   20  N   UNL     1      -8.964  -1.968  -0.655  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.680  -1.523   0.753  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.557  -2.532   0.877  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.793  -2.102   0.225  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.055  -2.675   0.011  1.00  0.00           C  
HETATM   25  N   UNL     1      -8.348  -3.943   0.480  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.232   1.925   0.554  1.00  0.00           C  
HETATM   27  S   UNL     1      -0.092   1.265  -0.693  1.00  0.00           S  
HETATM   28  C   UNL     1       3.942   0.771  -0.050  1.00  0.00           C  
HETATM   29  N   UNL     1       6.323   0.253  -0.292  1.00  0.00           N  
HETATM   30  C   UNL     1       7.393  -0.257  -1.161  1.00  0.00           C  
HETATM   31  C   UNL     1       8.703  -0.223  -0.417  1.00  0.00           C  
HETATM   32  N   UNL     1      10.162  -1.190   1.147  1.00  0.00           N  
HETATM   33  C   UNL     1       8.044  -2.339   0.735  1.00  0.00           C  
HETATM   34  H   UNL     1      11.970  -0.241   1.523  1.00  0.00           H  
HETATM   35  H   UNL     1      11.527   1.582  -0.074  1.00  0.00           H  
HETATM   36  H   UNL     1       9.389   1.594  -1.341  1.00  0.00           H  
HETATM   37  H   UNL     1       1.452   0.661   1.053  1.00  0.00           H  
HETATM   38  H   UNL     1       1.749   2.310   0.452  1.00  0.00           H  
HETATM   39  H   UNL     1       2.351  -0.271  -1.061  1.00  0.00           H  
HETATM   40  H   UNL     1       2.648   1.377  -1.662  1.00  0.00           H  
HETATM   41  H   UNL     1       4.786  -0.789  -1.274  1.00  0.00           H  
HETATM   42  H   UNL     1       5.083   0.860  -1.875  1.00  0.00           H  
HETATM   43  H   UNL     1       8.225  -3.128  -1.262  1.00  0.00           H  
HETATM   44  H   UNL     1       9.348  -3.846  -0.082  1.00  0.00           H  
HETATM   45  H   UNL     1       7.626  -4.297  -0.060  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.455  -0.217  -1.641  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.462   4.472   1.187  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.233   2.564   1.994  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.196   1.369   1.768  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.190   3.423   0.988  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.655   2.502  -0.974  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.907   1.134  -1.233  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.669  -1.528   1.132  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.383  -3.480   1.364  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.225  -4.327   0.325  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.676  -4.447   0.965  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.921   2.931   0.834  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.219   1.283   1.435  1.00  0.00           H  
HETATM   59  H   UNL     1       4.185   1.793   0.239  1.00  0.00           H  
HETATM   60  H   UNL     1       3.887   0.144   0.840  1.00  0.00           H  
HETATM   61  H   UNL     1       6.541   1.179   0.043  1.00  0.00           H  
HETATM   62  H   UNL     1       7.167  -1.283  -1.451  1.00  0.00           H  
HETATM   63  H   UNL     1       7.464   0.366  -2.052  1.00  0.00           H  
HETATM   64  H   UNL     1       8.151  -2.696   1.759  1.00  0.00           H  
HETATM   65  H   UNL     1       7.028  -1.977   0.580  1.00  0.00           H  
CONECT    1   31   31   32   33                                       
CONECT    2    3   32   32   34                                       
CONECT    3    4    4    2   35                                       
CONECT    4    3    3   31   36                                       
CONECT    5    6   27   37   38                                       
CONECT    6   28    5   39   40                                       
CONECT    7   28   29   41   42                                       
CONECT    8   33   43   44   45                                       
CONECT    9   19   20   20   46                                       
CONECT   10   11   47                                                 
CONECT   11   10   12   14   48                                       
CONECT   12   13   11   16   49                                       
CONECT   13   12   50                                                 
CONECT   14   11   15   26   51                                       
CONECT   15   14   16                                                 
CONECT   16   12   15   17   52                                       
CONECT   17   16   21   18                                            
CONECT   18   17   19   19   23                                       
CONECT   19   18   18    9                                            
CONECT   20    9    9   24                                            
CONECT   21   17   22   22   53                                       
CONECT   22   21   21   23   54                                       
CONECT   23   18   22   24   24                                       
CONECT   24   23   23   20   25                                       
CONECT   25   24   55   56                                            
CONECT   26   14   27   57   58                                       
CONECT   27    5   26                                                 
CONECT   28    7    6   59   60                                       
CONECT   29    7   30   61                                            
CONECT   30   29   31   62   63                                       
CONECT   31    4    1    1   30                                       
CONECT   32    2    2    1                                            
CONECT   33    1    8   64   65                                       
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   16                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   33                                                      
CONECT   65   33                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
