COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.267  -0.451   0.392  1.00  0.00           C  
HETATM    2  C   UNL     1       2.036   0.157   1.069  1.00  0.00           C  
HETATM    3  O   UNL     1       1.074  -0.869   1.322  1.00  0.00           O  
HETATM    4  C   UNL     1       1.425   1.215   0.144  1.00  0.00           C  
HETATM    5  O   UNL     1       0.319   1.840   0.798  1.00  0.00           O  
HETATM    6  C   UNL     1       2.489   2.268  -0.181  1.00  0.00           C  
HETATM    7  O   UNL     1       2.886   2.932   1.020  1.00  0.00           O  
HETATM    8  C   UNL     1       3.703   1.578  -0.809  1.00  0.00           C  
HETATM    9  O   UNL     1       4.203   0.585   0.089  1.00  0.00           O  
HETATM   10  C   UNL     1       4.794   2.615  -1.082  1.00  0.00           C  
HETATM   11  O   UNL     1       5.880   1.994  -1.774  1.00  0.00           O  
HETATM   12  C   UNL     1       6.121  -3.416   1.304  1.00  0.00           C  
HETATM   13  C   UNL     1       5.362  -2.365   0.492  1.00  0.00           C  
HETATM   14  S   UNL     1       4.038  -1.655   1.508  1.00  0.00           S  
HETATM   15  C   UNL     1      -1.035   2.083  -1.166  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.504   0.187   0.433  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.334  -0.338  -0.404  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.424   1.715   0.507  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.951   1.517   0.228  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.152  -3.922  -1.160  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.373  -1.867  -0.433  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.163  -2.393  -1.209  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.065   2.116   1.091  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.884  -0.320   0.557  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.185  -0.726  -0.085  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.769  -0.208  -0.191  1.00  0.00           N  
HETATM   27  O   UNL     1      -2.180   1.990  -1.860  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.072   2.622  -1.658  1.00  0.00           O  
HETATM   29  O   UNL     1      -4.469   2.208   1.348  1.00  0.00           O  
HETATM   30  O   UNL     1       0.038  -4.410  -1.783  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.338  -2.370   0.904  1.00  0.00           O  
HETATM   32  O   UNL     1      -1.244  -1.960  -2.568  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.102   0.097   0.176  1.00  0.00           O  
HETATM   34  O   UNL     1      -5.840  -0.093   1.748  1.00  0.00           O  
HETATM   35  H   UNL     1       2.966  -0.951  -0.529  1.00  0.00           H  
HETATM   36  H   UNL     1       2.329   0.621   2.010  1.00  0.00           H  
HETATM   37  H   UNL     1       1.086   0.742  -0.777  1.00  0.00           H  
HETATM   38  H   UNL     1       2.079   2.996  -0.882  1.00  0.00           H  
HETATM   39  H   UNL     1       3.560   3.614   0.888  1.00  0.00           H  
HETATM   40  H   UNL     1       3.408   1.106  -1.746  1.00  0.00           H  
HETATM   41  H   UNL     1       4.386   3.420  -1.694  1.00  0.00           H  
HETATM   42  H   UNL     1       5.152   3.023  -0.137  1.00  0.00           H  
HETATM   43  H   UNL     1       6.609   2.593  -1.980  1.00  0.00           H  
HETATM   44  H   UNL     1       6.916  -3.843   0.693  1.00  0.00           H  
HETATM   45  H   UNL     1       6.553  -2.950   2.189  1.00  0.00           H  
HETATM   46  H   UNL     1       5.434  -4.206   1.608  1.00  0.00           H  
HETATM   47  H   UNL     1       6.049  -1.575   0.187  1.00  0.00           H  
HETATM   48  H   UNL     1       4.930  -2.831  -0.394  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.448  -0.230   1.438  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.413   0.047  -1.421  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.531   2.135  -0.493  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.181  -4.253  -0.122  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.024  -4.309  -1.688  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.289  -2.198  -0.922  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.248  -2.009  -0.758  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.977   3.202   1.096  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.980   1.737   2.110  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.969  -0.762   0.672  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.454   0.000  -0.852  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.074  -1.711  -0.540  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.804  -0.390  -1.144  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.186   2.368  -2.750  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.478   3.170   1.440  1.00  0.00           H  
HETATM   64  H   UNL     1       0.112  -5.374  -1.789  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.548  -2.114   1.399  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.035  -2.266  -3.032  1.00  0.00           H  
HETATM   67  H   UNL     1       1.396  -1.576   1.898  1.00  0.00           H  
CONECT    1   14    9    2   35                                       
CONECT    2    1   36    3    4                                       
CONECT    3    2   67                                                 
CONECT    4    2    6    5   37                                       
CONECT    5    4   19                                                 
CONECT    6    4    7   38    8                                       
CONECT    7    6   39                                                 
CONECT    8    6   10    9   40                                       
CONECT    9    1    8                                                 
CONECT   10    8   41   42   11                                       
CONECT   11   10   43                                                 
CONECT   12   44   45   46   13                                       
CONECT   13   12   47   48   14                                       
CONECT   14    1   13                                                 
CONECT   15   27   19   28   28                                       
CONECT   16   49   17   18   26                                       
CONECT   17   16   21   50   33                                       
CONECT   18   16   29   51   23                                       
CONECT   19    5   15   23   33                                       
CONECT   20   52   53   22   30                                       
CONECT   21   17   22   54   31                                       
CONECT   22   21   20   32   55                                       
CONECT   23   19   18   56   57                                       
CONECT   24   34   34   25   26                                       
CONECT   25   24   58   59   60                                       
CONECT   26   16   24   61                                            
CONECT   27   15   62                                                 
CONECT   28   15   15                                                 
CONECT   29   18   63                                                 
CONECT   30   20   64                                                 
CONECT   31   21   65                                                 
CONECT   32   22   66                                                 
CONECT   33   19   17                                                 
CONECT   34   24   24                                                 
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    4                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67    3                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
