COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.038   2.512  -2.382  1.00  0.00           C  
HETATM    2  C   UNL     1       9.972   1.454  -1.855  1.00  0.00           C  
HETATM    3  C   UNL     1      11.461   1.609  -2.026  1.00  0.00           C  
HETATM    4  C   UNL     1       9.481   0.378  -1.237  1.00  0.00           C  
HETATM    5  C   UNL     1       8.035   0.227  -1.071  1.00  0.00           C  
HETATM    6  O   UNL     1       7.283   1.079  -1.495  1.00  0.00           O  
HETATM    7  C   UNL     1       7.480  -0.988  -0.373  1.00  0.00           C  
HETATM    8  C   UNL     1       5.953  -0.900  -0.333  1.00  0.00           C  
HETATM    9  C   UNL     1       5.398  -2.115   0.365  1.00  0.00           C  
HETATM   10  O   UNL     1       6.149  -2.967   0.789  1.00  0.00           O  
HETATM   11  N   UNL     1       4.066  -2.254   0.518  1.00  0.00           N  
HETATM   12  C   UNL     1       3.503  -3.432   1.196  1.00  0.00           C  
HETATM   13  C   UNL     1       2.534  -2.951   2.281  1.00  0.00           C  
HETATM   14  N   UNL     1       1.543  -2.047   1.683  1.00  0.00           N  
HETATM   15  C   UNL     1       2.182  -0.839   1.143  1.00  0.00           C  
HETATM   16  C   UNL     1       3.137  -1.230   0.017  1.00  0.00           C  
HETATM   17  C   UNL     1       0.495  -1.699   2.651  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.624  -0.979   1.944  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.672  -1.577   1.401  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.624  -0.686   0.773  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.783  -0.963   0.137  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.523   0.000  -0.377  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.175   1.281  -0.299  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.054   1.643   0.308  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.231   0.651   0.871  1.00  0.00           C  
HETATM   26  S   UNL     1      -0.708   0.761   1.740  1.00  0.00           S  
HETATM   27  N   UNL     1      -2.698   2.980   0.386  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.702   3.832  -0.268  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.240   5.291  -0.211  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.019   5.663   1.153  1.00  0.00           O  
HETATM   31  C   UNL     1      -2.046   4.854   1.819  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.496   3.391   1.783  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.785  -0.358  -1.064  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.586   0.631  -1.615  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.767   0.299  -2.260  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.167  -1.015  -2.365  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.383  -2.030  -1.822  1.00  0.00           C  
HETATM   38  N   UNL     1      -7.507  -3.395  -1.766  1.00  0.00           N  
HETATM   39  N   UNL     1      -6.396  -3.904  -1.083  1.00  0.00           N  
HETATM   40  C   UNL     1      -5.613  -2.926  -0.727  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.179  -1.709  -1.170  1.00  0.00           C  
HETATM   42  H   UNL     1       9.618   3.307  -2.851  1.00  0.00           H  
HETATM   43  H   UNL     1       8.366   2.070  -3.117  1.00  0.00           H  
HETATM   44  H   UNL     1       8.456   2.925  -1.559  1.00  0.00           H  
HETATM   45  H   UNL     1      11.872   2.140  -1.168  1.00  0.00           H  
HETATM   46  H   UNL     1      11.924   0.625  -2.100  1.00  0.00           H  
HETATM   47  H   UNL     1      11.665   2.175  -2.935  1.00  0.00           H  
HETATM   48  H   UNL     1      10.150  -0.381  -0.859  1.00  0.00           H  
HETATM   49  H   UNL     1       7.778  -1.886  -0.914  1.00  0.00           H  
HETATM   50  H   UNL     1       7.868  -1.031   0.645  1.00  0.00           H  
HETATM   51  H   UNL     1       5.655  -0.002   0.208  1.00  0.00           H  
HETATM   52  H   UNL     1       5.565  -0.857  -1.351  1.00  0.00           H  
HETATM   53  H   UNL     1       2.968  -4.049   0.475  1.00  0.00           H  
HETATM   54  H   UNL     1       4.306  -4.010   1.653  1.00  0.00           H  
HETATM   55  H   UNL     1       3.699  -0.353  -0.306  1.00  0.00           H  
HETATM   56  H   UNL     1       2.566  -1.631  -0.821  1.00  0.00           H  
HETATM   57  H   UNL     1       2.024  -3.809   2.720  1.00  0.00           H  
HETATM   58  H   UNL     1       3.088  -2.422   3.056  1.00  0.00           H  
HETATM   59  H   UNL     1       1.418  -0.165   0.756  1.00  0.00           H  
HETATM   60  H   UNL     1       2.741  -0.339   1.934  1.00  0.00           H  
HETATM   61  H   UNL     1       0.108  -2.610   3.110  1.00  0.00           H  
HETATM   62  H   UNL     1       0.912  -1.053   3.423  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.807  -2.648   1.425  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.816   3.527  -1.308  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.656   3.732   0.249  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.431   3.283   2.333  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.730   2.763   2.240  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.313   5.402  -0.773  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.008   5.933  -0.643  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.085   4.952   1.316  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.951   5.179   2.855  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.287   1.667  -1.541  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.382   1.080  -2.684  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.090  -1.258  -2.870  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.237  -3.916  -2.134  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.684  -3.028  -0.186  1.00  0.00           H  
CONECT    1    2   42   43   44                                       
CONECT    2    1    3    4    4                                       
CONECT    3    2   45   46   47                                       
CONECT    4    2    2    5   48                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8   49   50                                       
CONECT    8    7    9   51   52                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   16                                            
CONECT   12   11   13   53   54                                       
CONECT   13   12   14   57   58                                       
CONECT   14   13   15   17                                            
CONECT   15   14   16   59   60                                       
CONECT   16   11   15   55   56                                       
CONECT   17   14   18   61   62                                       
CONECT   18   17   19   19   26                                       
CONECT   19   18   18   20   63                                       
CONECT   20   19   21   25   25                                       
CONECT   21   20   22   22                                            
CONECT   22   21   21   23   33                                       
CONECT   23   22   24   24                                            
CONECT   24   23   23   25   27                                       
CONECT   25   20   20   24   26                                       
CONECT   26   18   25                                                 
CONECT   27   24   28   32                                            
CONECT   28   27   29   64   65                                       
CONECT   29   28   30   68   69                                       
CONECT   30   29   31                                                 
CONECT   31   30   32   70   71                                       
CONECT   32   27   31   66   67                                       
CONECT   33   22   34   41   41                                       
CONECT   34   33   35   35   72                                       
CONECT   35   34   34   36   73                                       
CONECT   36   35   37   37   74                                       
CONECT   37   36   36   38   41                                       
CONECT   38   37   39   75                                            
CONECT   39   38   40   40                                            
CONECT   40   39   39   41   76                                       
CONECT   41   33   33   37   40                                       
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   19                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   38                                                      
CONECT   76   40                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
