COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -6.220  -0.597  -0.847  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.703  -1.576  -0.084  1.00  0.00           C  
HETATM    3  N   UNL     1      -6.115  -2.850  -0.220  1.00  0.00           N  
HETATM    4  C   UNL     1      -7.051  -3.167  -1.137  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.600  -2.147  -1.951  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.172  -0.876  -1.790  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.858  -1.305   0.748  1.00  0.00           O  
HETATM    8  O   UNL     1      -7.421  -4.320  -1.265  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.755   0.782  -0.672  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.046   1.281   0.766  1.00  0.00           C  
HETATM   11  O   UNL     1      -7.367   1.818   0.862  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.982   2.396   0.944  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.908   2.059  -0.108  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.316   0.849  -0.768  1.00  0.00           O  
HETATM   15  O   UNL     1      -5.556   3.680   0.690  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.557   1.848   0.577  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.547   1.644  -0.413  1.00  0.00           O  
HETATM   18  P   UNL     1      -0.159   1.430   0.375  1.00  0.00           P  
HETATM   19  O   UNL     1       0.077   2.577   1.280  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.236   0.073   1.238  1.00  0.00           O  
HETATM   21  O   UNL     1       1.049   1.324  -0.685  1.00  0.00           O  
HETATM   22  P   UNL     1       2.415   1.513   0.147  1.00  0.00           P  
HETATM   23  O   UNL     1       2.357   0.699   1.381  1.00  0.00           O  
HETATM   24  O   UNL     1       2.596   3.065   0.535  1.00  0.00           O  
HETATM   25  O   UNL     1       3.661   1.036  -0.754  1.00  0.00           O  
HETATM   26  C   UNL     1       4.823   1.115   0.074  1.00  0.00           C  
HETATM   27  C   UNL     1       6.043   1.427  -0.797  1.00  0.00           C  
HETATM   28  C   UNL     1       6.202   0.320  -1.846  1.00  0.00           C  
HETATM   29  C   UNL     1       6.235  -1.036  -1.131  1.00  0.00           C  
HETATM   30  C   UNL     1       4.999  -1.159  -0.237  1.00  0.00           C  
HETATM   31  C   UNL     1       5.006  -2.523   0.456  1.00  0.00           C  
HETATM   32  O   UNL     1       5.858   2.686  -1.446  1.00  0.00           O  
HETATM   33  O   UNL     1       7.422   0.513  -2.565  1.00  0.00           O  
HETATM   34  O   UNL     1       6.233  -2.087  -2.100  1.00  0.00           O  
HETATM   35  O   UNL     1       5.011  -0.128   0.748  1.00  0.00           O  
HETATM   36  S   UNL     1       3.470  -2.729   1.399  1.00  0.00           S  
HETATM   37  O   UNL     1       3.434  -1.876   2.535  1.00  0.00           O  
HETATM   38  O   UNL     1       3.627  -4.111   2.019  1.00  0.00           O  
HETATM   39  O   UNL     1       2.348  -2.894   0.543  1.00  0.00           O  
HETATM   40  H   UNL     1      -5.734  -3.544   0.341  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.351  -2.381  -2.691  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.579  -0.085  -2.401  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.220   1.438  -1.408  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.899   0.482   1.492  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.485   2.109   1.776  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.558   2.361   1.947  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.833   2.869  -0.833  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.259   3.806   1.341  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.611   0.973   1.226  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.310   2.727   1.173  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.390  -0.648   0.612  1.00  0.00           H  
HETATM   52  H   UNL     1       2.629   3.559  -0.295  1.00  0.00           H  
HETATM   53  H   UNL     1       4.691   1.910   0.809  1.00  0.00           H  
HETATM   54  H   UNL     1       6.936   1.465  -0.174  1.00  0.00           H  
HETATM   55  H   UNL     1       5.361   0.348  -2.538  1.00  0.00           H  
HETATM   56  H   UNL     1       7.135  -1.105  -0.521  1.00  0.00           H  
HETATM   57  H   UNL     1       4.100  -1.067  -0.847  1.00  0.00           H  
HETATM   58  H   UNL     1       5.080  -3.311  -0.294  1.00  0.00           H  
HETATM   59  H   UNL     1       5.858  -2.582   1.132  1.00  0.00           H  
HETATM   60  H   UNL     1       5.757   3.348  -0.748  1.00  0.00           H  
HETATM   61  H   UNL     1       7.360   1.377  -2.993  1.00  0.00           H  
HETATM   62  H   UNL     1       7.023  -1.967  -2.644  1.00  0.00           H  
HETATM   63  H   UNL     1       2.829  -4.276   2.539  1.00  0.00           H  
CONECT    1    2    6    9                                            
CONECT    2    1    3    7    7                                       
CONECT    3    2    4   40                                            
CONECT    4    3    5    8    8                                       
CONECT    5    4    6    6   41                                       
CONECT    6    1    5    5   42                                       
CONECT    7    2    2                                                 
CONECT    8    4    4                                                 
CONECT    9    1   10   14   43                                       
CONECT   10    9   11   12   44                                       
CONECT   11   10   45                                                 
CONECT   12   10   13   15   46                                       
CONECT   13   12   14   16   47                                       
CONECT   14    9   13                                                 
CONECT   15   12   48                                                 
CONECT   16   13   17   49   50                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   19   20                                       
CONECT   18   21                                                      
CONECT   19   18   18                                                 
CONECT   20   18   51                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23   23   24                                       
CONECT   22   25                                                      
CONECT   23   22   22                                                 
CONECT   24   22   52                                                 
CONECT   25   22   26                                                 
CONECT   26   25   27   35   53                                       
CONECT   27   26   28   32   54                                       
CONECT   28   27   29   33   55                                       
CONECT   29   28   30   34   56                                       
CONECT   30   29   31   35   57                                       
CONECT   31   30   36   58   59                                       
CONECT   32   27   60                                                 
CONECT   33   28   61                                                 
CONECT   34   29   62                                                 
CONECT   35   26   30                                                 
CONECT   36   31   37   37   38                                       
CONECT   36   39   39                                                 
CONECT   37   36   36                                                 
CONECT   38   36   63                                                 
CONECT   39   36   36                                                 
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   20                                                      
CONECT   52   24                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
CONECT   62   34                                                      
CONECT   63   38                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
