COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.660  -1.273   1.800  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.379   0.090   1.164  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.655   0.620   0.508  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.409   2.036  -0.016  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.652   2.575  -0.689  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.857   4.295   0.653  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.160   3.012   1.157  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.034   0.038   0.503  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.956  -0.108  -0.540  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.066  -1.485  -1.199  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.054  -1.586  -2.342  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.077  -3.003  -2.919  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.421  -0.583  -3.437  1.00  0.00           C  
HETATM   14  C   UNL     1       1.418   0.433  -0.634  1.00  0.00           C  
HETATM   15  C   UNL     1       3.721   0.999  -0.897  1.00  0.00           C  
HETATM   16  C   UNL     1       5.004   1.080  -0.067  1.00  0.00           C  
HETATM   17  C   UNL     1       6.302   1.418  -0.803  1.00  0.00           C  
HETATM   18  C   UNL     1       5.646   2.457   0.110  1.00  0.00           C  
HETATM   19  C   UNL     1       7.569   0.765  -0.314  1.00  0.00           C  
HETATM   20  C   UNL     1       8.300  -0.045  -1.164  1.00  0.00           C  
HETATM   21  C   UNL     1       9.462  -0.645  -0.719  1.00  0.00           C  
HETATM   22  C   UNL     1       9.895  -0.435   0.582  1.00  0.00           C  
HETATM   23  C   UNL     1      11.424  -0.763   2.373  1.00  0.00           C  
HETATM   24  C   UNL     1       9.160   0.378   1.433  1.00  0.00           C  
HETATM   25  C   UNL     1       8.002   0.980   0.981  1.00  0.00           C  
HETATM   26  N   UNL     1      -6.882   3.839  -0.293  1.00  0.00           N  
HETATM   27  N   UNL     1      -3.331  -0.051   0.149  1.00  0.00           N  
HETATM   28  N   UNL     1       0.358   0.027   0.093  1.00  0.00           N  
HETATM   29  O   UNL     1      -5.760  -1.158   2.705  1.00  0.00           O  
HETATM   30  O   UNL     1      -7.341   1.957  -1.473  1.00  0.00           O  
HETATM   31  O   UNL     1       2.625   0.557  -0.053  1.00  0.00           O  
HETATM   32  O   UNL     1      11.038  -1.024   1.022  1.00  0.00           O  
HETATM   33  O   UNL     1       1.283   0.687  -1.815  1.00  0.00           O  
HETATM   34  O   UNL     1      -1.734   0.235   1.662  1.00  0.00           O  
HETATM   35  S   UNL     1      -5.067  -2.473   0.502  1.00  0.00           S  
HETATM   36  H   UNL     1      -3.777  -1.610   2.342  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.048   0.788   1.933  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.936  -0.030  -0.320  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.460   0.640   1.243  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.565   2.046  -0.706  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.320   4.825   1.485  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.138   4.942   0.149  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.628   2.649   2.073  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.094   3.180   1.306  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.077   0.667  -1.297  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.859  -2.258  -0.460  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.074  -1.620  -1.592  1.00  0.00           H  
HETATM   48  H   UNL     1       0.943  -1.363  -1.964  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.075  -3.225  -3.296  1.00  0.00           H  
HETATM   50  H   UNL     1       0.644  -3.075  -3.733  1.00  0.00           H  
HETATM   51  H   UNL     1       0.184  -3.717  -2.138  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.405   0.427  -3.026  1.00  0.00           H  
HETATM   53  H   UNL     1       0.300  -0.655  -4.252  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.419  -0.805  -3.815  1.00  0.00           H  
HETATM   55  H   UNL     1       3.491   1.983  -1.306  1.00  0.00           H  
HETATM   56  H   UNL     1       3.860   0.290  -1.712  1.00  0.00           H  
HETATM   57  H   UNL     1       5.066   0.385   0.771  1.00  0.00           H  
HETATM   58  H   UNL     1       6.242   1.582  -1.878  1.00  0.00           H  
HETATM   59  H   UNL     1       5.155   3.306  -0.366  1.00  0.00           H  
HETATM   60  H   UNL     1       6.131   2.668   1.063  1.00  0.00           H  
HETATM   61  H   UNL     1       7.962  -0.209  -2.177  1.00  0.00           H  
HETATM   62  H   UNL     1      10.032  -1.277  -1.383  1.00  0.00           H  
HETATM   63  H   UNL     1      11.576   0.308   2.507  1.00  0.00           H  
HETATM   64  H   UNL     1      10.639  -1.105   3.048  1.00  0.00           H  
HETATM   65  H   UNL     1      12.350  -1.292   2.595  1.00  0.00           H  
HETATM   66  H   UNL     1       9.496   0.543   2.446  1.00  0.00           H  
HETATM   67  H   UNL     1       7.432   1.617   1.641  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.629   4.379  -0.593  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.572  -0.209  -0.777  1.00  0.00           H  
HETATM   70  H   UNL     1       0.465  -0.176   1.035  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.582  -0.862   2.290  1.00  0.00           H  
HETATM   72  O   UNL     1      -5.446  -3.737   1.260  1.00  0.00           O  
HETATM   73  O   UNL     1      -6.261  -2.095  -0.169  1.00  0.00           O  
HETATM   74  O   UNL     1      -3.901  -2.836  -0.225  1.00  0.00           O  
HETATM   75  H   UNL     1      -5.693  -4.479   0.690  1.00  0.00           H  
CONECT    1   35    2   29   36                                       
CONECT    2    3   27    1   37                                       
CONECT    3    4    2   38   39                                       
CONECT    4    5    3    7   40                                       
CONECT    5   30   30   26    4                                       
CONECT    6   26    7   41   42                                       
CONECT    7    4    6   43   44                                       
CONECT    8    9   27   34   34                                       
CONECT    9   28    8   10   45                                       
CONECT   10    9   11   46   47                                       
CONECT   11   13   10   12   48                                       
CONECT   12   11   49   50   51                                       
CONECT   13   11   52   53   54                                       
CONECT   14   33   33   31   28                                       
CONECT   15   16   31   55   56                                       
CONECT   16   18   17   15   57                                       
CONECT   17   18   16   19   58                                       
CONECT   18   17   16   59   60                                       
CONECT   19   17   25   25   20                                       
CONECT   20   19   21   21   61                                       
CONECT   21   20   20   22   62                                       
CONECT   22   24   24   21   32                                       
CONECT   23   32   63   64   65                                       
CONECT   24   25   22   22   66                                       
CONECT   25   19   19   24   67                                       
CONECT   26    5    6   68                                            
CONECT   27    8    2   69                                            
CONECT   28   14    9   70                                            
CONECT   29    1   71                                                 
CONECT   30    5    5                                                 
CONECT   31   15   14                                                 
CONECT   32   22   23                                                 
CONECT   33   14   14                                                 
CONECT   34    8    8                                                 
CONECT   35    1   72   73   73                                       
CONECT   35   74   74                                                 
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   35   75                                                 
CONECT   73   35   35                                                 
CONECT   74   35   35                                                 
CONECT   75   72                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
