COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.001  -1.257  -1.496  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.858  -0.183  -2.166  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.057   0.487  -3.284  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.114  -0.829  -2.755  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.964  -1.382  -1.640  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.837  -2.725  -1.289  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.567  -3.292  -0.298  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.503  -2.523   0.427  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.624  -0.596   0.929  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.661  -1.102   0.081  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.838  -0.554  -0.994  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.004   1.872   0.267  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.464   1.611   0.912  1.00  0.00           O  
HETATM   14  S   UNL     1      -3.693   1.971  -0.226  1.00  0.00           S  
HETATM   15  O   UNL     1      -3.841   3.210  -0.905  1.00  0.00           O  
HETATM   16  N   UNL     1      -3.944   0.786  -1.355  1.00  0.00           N  
HETATM   17  N   UNL     1      -5.342  -2.768   1.416  1.00  0.00           N  
HETATM   18  N   UNL     1      -6.032  -1.591   1.729  1.00  0.00           N  
HETATM   19  C   UNL     1      -7.049  -1.465   2.776  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.059   2.681  -0.336  1.00  0.00           C  
HETATM   21  C   UNL     1       0.266   2.603   0.050  1.00  0.00           C  
HETATM   22  C   UNL     1       0.646   1.715   1.039  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.298   0.906   1.642  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.624   0.988   1.260  1.00  0.00           C  
HETATM   25  C   UNL     1       2.092   1.626   1.455  1.00  0.00           C  
HETATM   26  C   UNL     1       2.807   0.584   0.593  1.00  0.00           C  
HETATM   27  C   UNL     1       4.275   0.493   1.016  1.00  0.00           C  
HETATM   28  C   UNL     1       4.990  -0.549   0.154  1.00  0.00           C  
HETATM   29  C   UNL     1       6.458  -0.640   0.577  1.00  0.00           C  
HETATM   30  C   UNL     1       7.144  -1.768  -0.198  1.00  0.00           C  
HETATM   31  C   UNL     1       8.626  -1.815   0.184  1.00  0.00           C  
HETATM   32  N   UNL     1       9.255  -0.526  -0.132  1.00  0.00           N  
HETATM   33  C   UNL     1      10.705  -0.580   0.092  1.00  0.00           C  
HETATM   34  C   UNL     1       8.643   0.566   0.636  1.00  0.00           C  
HETATM   35  C   UNL     1       7.162   0.683   0.267  1.00  0.00           C  
HETATM   36  H   UNL     1       0.896  -0.797  -1.076  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.570  -1.735  -0.699  1.00  0.00           H  
HETATM   38  H   UNL     1       0.289  -2.005  -2.235  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.147   0.565  -1.427  1.00  0.00           H  
HETATM   40  H   UNL     1       0.231  -0.261  -4.023  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.670   1.252  -3.761  1.00  0.00           H  
HETATM   42  H   UNL     1       0.837   0.947  -2.864  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.682  -0.081  -3.308  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.826  -1.637  -3.427  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.129  -3.337  -1.828  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.433  -4.338  -0.062  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.984   0.422   0.947  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.166   1.026  -2.268  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.032  -1.681   2.356  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.834  -2.171   3.578  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.038  -0.450   3.173  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.357   3.375  -1.109  1.00  0.00           H  
HETATM   53  H   UNL     1       1.003   3.235  -0.421  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.001   0.213   2.415  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.362   0.356   1.731  1.00  0.00           H  
HETATM   56  H   UNL     1       2.569   2.597   1.322  1.00  0.00           H  
HETATM   57  H   UNL     1       2.150   1.332   2.503  1.00  0.00           H  
HETATM   58  H   UNL     1       2.330  -0.387   0.726  1.00  0.00           H  
HETATM   59  H   UNL     1       2.748   0.877  -0.455  1.00  0.00           H  
HETATM   60  H   UNL     1       4.752   1.464   0.883  1.00  0.00           H  
HETATM   61  H   UNL     1       4.333   0.199   2.064  1.00  0.00           H  
HETATM   62  H   UNL     1       4.513  -1.520   0.287  1.00  0.00           H  
HETATM   63  H   UNL     1       4.931  -0.256  -0.894  1.00  0.00           H  
HETATM   64  H   UNL     1       6.518  -0.844   1.646  1.00  0.00           H  
HETATM   65  H   UNL     1       6.674  -2.720   0.051  1.00  0.00           H  
HETATM   66  H   UNL     1       7.050  -1.585  -1.268  1.00  0.00           H  
HETATM   67  H   UNL     1       8.719  -2.013   1.252  1.00  0.00           H  
HETATM   68  H   UNL     1       9.120  -2.608  -0.377  1.00  0.00           H  
HETATM   69  H   UNL     1      11.144  -1.348  -0.545  1.00  0.00           H  
HETATM   70  H   UNL     1      11.146   0.387  -0.149  1.00  0.00           H  
HETATM   71  H   UNL     1      10.903  -0.818   1.137  1.00  0.00           H  
HETATM   72  H   UNL     1       8.737   0.357   1.702  1.00  0.00           H  
HETATM   73  H   UNL     1       9.151   1.502   0.403  1.00  0.00           H  
HETATM   74  H   UNL     1       7.069   0.906  -0.796  1.00  0.00           H  
HETATM   75  H   UNL     1       6.705   1.484   0.849  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    4    1    3   39                                       
CONECT    3    2   40   41   42                                       
CONECT    4    5    2   43   44                                       
CONECT    5   11   11    4    6                                       
CONECT    6    5    7    7   45                                       
CONECT    7    8    6    6   46                                       
CONECT    8   10   17   17    7                                       
CONECT    9   10   10   18   47                                       
CONECT   10    9    9   11    8                                       
CONECT   11   16   10    5    5                                       
CONECT   12   24   24   20   14                                       
CONECT   13   14   14                                                 
CONECT   14   13   13   12   15                                       
CONECT   14   15   16                                                 
CONECT   15   14   14                                                 
CONECT   16   14   11   48                                            
CONECT   17   18    8    8                                            
CONECT   18    9   19   17                                            
CONECT   19   18   49   50   51                                       
CONECT   20   21   21   12   52                                       
CONECT   21   22   20   20   53                                       
CONECT   22   25   23   23   21                                       
CONECT   23   22   22   24   54                                       
CONECT   24   23   12   12   55                                       
CONECT   25   26   22   56   57                                       
CONECT   26   27   25   58   59                                       
CONECT   27   28   26   60   61                                       
CONECT   28   29   27   62   63                                       
CONECT   29   30   35   28   64                                       
CONECT   30   31   29   65   66                                       
CONECT   31   32   30   67   68                                       
CONECT   32   33   31   34                                            
CONECT   33   32   69   70   71                                       
CONECT   34   32   35   72   73                                       
CONECT   35   29   34   74   75                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    9                                                      
CONECT   48   16                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   35                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
