COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.911  -1.555   0.397  1.00  0.00           C  
HETATM    2  C   UNL     1       9.528  -0.425   0.910  1.00  0.00           C  
HETATM    3  N   UNL     1       5.506  -0.521   0.307  1.00  0.00           N  
HETATM    4  C   UNL     1       4.879   0.749   0.698  1.00  0.00           C  
HETATM    5  C   UNL     1       3.355   0.607   0.627  1.00  0.00           C  
HETATM    6  C   UNL     1       5.193  -0.863  -1.087  1.00  0.00           C  
HETATM    7  C   UNL     1       3.681  -1.071  -1.231  1.00  0.00           C  
HETATM    8  C   UNL     1       8.735   0.685   1.216  1.00  0.00           C  
HETATM    9  N   UNL     1       7.422   0.616   1.005  1.00  0.00           N  
HETATM   10  C   UNL     1       6.874  -0.483   0.514  1.00  0.00           C  
HETATM   11  N   UNL     1       7.602  -1.548   0.209  1.00  0.00           N  
HETATM   12  N   UNL     1       2.994   0.121  -0.714  1.00  0.00           N  
HETATM   13  S   UNL     1       1.842   0.897  -1.616  1.00  0.00           S  
HETATM   14  C   UNL     1       0.289   0.162  -1.224  1.00  0.00           C  
HETATM   15  O   UNL     1       1.787   2.233  -1.134  1.00  0.00           O  
HETATM   16  O   UNL     1       2.109   0.571  -2.973  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.161  -0.927  -1.949  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.378  -1.505  -1.644  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.148  -0.993  -0.608  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.473   0.670  -0.189  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.692   0.100   0.118  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.381  -1.577  -0.297  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.393  -0.811   0.156  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.268   0.398   0.203  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.653  -1.439   0.594  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.800  -2.828   0.547  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.980  -3.408   0.958  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.024  -2.623   1.419  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.895  -1.250   1.471  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.711  -0.646   1.066  1.00  0.00           C  
HETATM   31  N   UNL     1      -6.576   0.735   1.123  1.00  0.00           N  
HETATM   32  C   UNL     1      -6.153   1.379   2.368  1.00  0.00           C  
HETATM   33  S   UNL     1      -6.895   1.654  -0.218  1.00  0.00           S  
HETATM   34  C   UNL     1      -8.661   2.048  -0.087  1.00  0.00           C  
HETATM   35  O   UNL     1      -6.109   2.823  -0.036  1.00  0.00           O  
HETATM   36  O   UNL     1      -6.660   0.775  -1.309  1.00  0.00           O  
HETATM   37  C   UNL     1       9.724  -2.776   0.051  1.00  0.00           C  
HETATM   38  C   UNL     1       9.325   1.876   1.748  1.00  0.00           C  
HETATM   39  N   UNL     1       9.793   2.821   2.170  1.00  0.00           N  
HETATM   40  H   UNL     1      10.595  -0.402   1.069  1.00  0.00           H  
HETATM   41  H   UNL     1       5.174   1.002   1.717  1.00  0.00           H  
HETATM   42  H   UNL     1       5.203   1.538   0.019  1.00  0.00           H  
HETATM   43  H   UNL     1       3.019  -0.108   1.378  1.00  0.00           H  
HETATM   44  H   UNL     1       2.888   1.575   0.807  1.00  0.00           H  
HETATM   45  H   UNL     1       5.512  -0.051  -1.741  1.00  0.00           H  
HETATM   46  H   UNL     1       5.714  -1.779  -1.362  1.00  0.00           H  
HETATM   47  H   UNL     1       3.430  -1.212  -2.282  1.00  0.00           H  
HETATM   48  H   UNL     1       3.376  -1.947  -0.658  1.00  0.00           H  
HETATM   49  H   UNL     1       0.439  -1.324  -2.754  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.729  -2.355  -2.210  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.116   1.518   0.378  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.289   0.500   0.924  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.507  -2.532  -0.407  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.989  -3.445   0.189  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.091  -4.482   0.921  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.945  -3.087   1.739  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.713  -0.644   1.831  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.066   1.456   2.387  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.588   2.377   2.428  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.490   0.785   3.218  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.843   2.598   0.836  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.961   2.658  -0.939  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.240   1.124  -0.080  1.00  0.00           H  
HETATM   64  H   UNL     1       9.786  -3.429   0.921  1.00  0.00           H  
HETATM   65  H   UNL     1       9.247  -3.309  -0.771  1.00  0.00           H  
HETATM   66  H   UNL     1      10.727  -2.471  -0.247  1.00  0.00           H  
CONECT    1    2    2   11   37                                       
CONECT    2    8    1    1   40                                       
CONECT    3    6   10    4                                            
CONECT    4    3    5   41   42                                       
CONECT    5   12    4   43   44                                       
CONECT    6    7    3   45   46                                       
CONECT    7    6   12   47   48                                       
CONECT    8   38    9    9    2                                       
CONECT    9    8    8   10                                            
CONECT   10    9    3   11   11                                       
CONECT   11   10   10    1                                            
CONECT   12    7   13    5                                            
CONECT   13   16   16   12   15                                       
CONECT   13   15   14                                                 
CONECT   14   13   17   17   20                                       
CONECT   15   13   13                                                 
CONECT   16   13   13                                                 
CONECT   17   14   14   18   49                                       
CONECT   18   17   19   19   50                                       
CONECT   19   18   18   21   22                                       
CONECT   20   14   21   21   51                                       
CONECT   21   20   20   19   52                                       
CONECT   22   19   23   53                                            
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   26   30                                       
CONECT   26   25   25   27   54                                       
CONECT   27   26   28   28   55                                       
CONECT   28   27   27   29   56                                       
CONECT   29   30   30   28   57                                       
CONECT   30   25   31   29   29                                       
CONECT   31   33   30   32                                            
CONECT   32   31   58   59   60                                       
CONECT   33   36   36   35   35                                       
CONECT   33   34   31                                                 
CONECT   34   33   61   62   63                                       
CONECT   35   33   33                                                 
CONECT   36   33   33                                                 
CONECT   37    1   64   65   66                                       
CONECT   38   39   39   39    8                                       
CONECT   39   38   38   38                                            
CONECT   40    2                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   32                                                      
CONECT   59   32                                                      
CONECT   60   32                                                      
CONECT   61   34                                                      
CONECT   62   34                                                      
CONECT   63   34                                                      
CONECT   64   37                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
