COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.515  -0.179   2.099  1.00  0.00           N  
HETATM    2  C   UNL     1       3.056   1.821   0.170  1.00  0.00           C  
HETATM    3  C   UNL     1       3.598   1.052   1.201  1.00  0.00           C  
HETATM    4  C   UNL     1       5.021   0.653   1.161  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.534   3.604  -2.639  1.00  0.00           C  
HETATM    6  C   UNL     1       1.727   2.190   0.214  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.286   0.051   1.098  1.00  0.00           C  
HETATM    8  C   UNL     1       0.933   1.799   1.277  1.00  0.00           C  
HETATM    9  C   UNL     1       1.463   1.036   2.302  1.00  0.00           C  
HETATM   10  C   UNL     1       2.790   0.661   2.270  1.00  0.00           C  
HETATM   11  S   UNL     1      -0.763   2.275   1.325  1.00  0.00           S  
HETATM   12  O   UNL     1      -0.854   3.508   0.624  1.00  0.00           O  
HETATM   13  N   UNL     1      -1.609   1.166   0.432  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.680   1.300  -1.026  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.940   2.038  -1.401  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.872   3.110  -2.151  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.131   3.848  -2.526  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.420   0.575   1.998  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.685   0.019   1.469  1.00  0.00           N  
HETATM   20  O   UNL     1      -1.188   2.112   2.671  1.00  0.00           O  
HETATM   21  O   UNL     1       5.746   1.076   0.282  1.00  0.00           O  
HETATM   22  N   UNL     1       4.387   0.647  -2.528  1.00  0.00           N  
HETATM   23  C   UNL     1       2.361  -2.263  -1.431  1.00  0.00           C  
HETATM   24  O   UNL     1       4.972  -1.295  -1.623  1.00  0.00           O  
HETATM   25  C   UNL     1       1.656  -0.173  -2.411  1.00  0.00           C  
HETATM   26  C   UNL     1       2.677  -1.008  -1.954  1.00  0.00           C  
HETATM   27  C   UNL     1       4.086  -0.565  -2.023  1.00  0.00           C  
HETATM   28  S   UNL     1      -1.641  -2.365  -1.743  1.00  0.00           S  
HETATM   29  C   UNL     1      -1.880  -2.471   3.659  1.00  0.00           C  
HETATM   30  C   UNL     1       0.683  -1.984   3.590  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.374  -1.508  -2.608  1.00  0.00           O  
HETATM   32  C   UNL     1       1.044  -2.670  -1.370  1.00  0.00           C  
HETATM   33  C   UNL     1       0.344  -0.592  -2.344  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.982  -0.855   0.057  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.312  -1.230   0.757  1.00  0.00           C  
HETATM   36  C   UNL     1       0.038  -1.837  -1.825  1.00  0.00           C  
HETATM   37  N   UNL     1      -2.180  -2.052  -0.208  1.00  0.00           N  
HETATM   38  C   UNL     1      -1.853  -2.972   0.884  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.601  -2.502   1.579  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.600  -2.328   2.878  1.00  0.00           C  
HETATM   41  O   UNL     1      -1.625  -3.779  -1.882  1.00  0.00           O  
HETATM   42  H   UNL     1       4.956  -0.459   2.841  1.00  0.00           H  
HETATM   43  H   UNL     1       6.427  -0.502   2.030  1.00  0.00           H  
HETATM   44  H   UNL     1       3.677   2.131  -0.658  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.059   2.830  -3.242  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.677   4.500  -3.245  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.900   3.841  -1.785  1.00  0.00           H  
HETATM   48  H   UNL     1       1.307   2.786  -0.583  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.572  -0.526   1.687  1.00  0.00           H  
HETATM   50  H   UNL     1       0.838   0.735   3.129  1.00  0.00           H  
HETATM   51  H   UNL     1       3.204   0.065   3.071  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.813   1.856  -1.382  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.690   0.310  -1.482  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.898   1.684  -1.051  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.525   3.443  -3.458  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.871   3.729  -1.736  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.906   4.906  -2.657  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.267   0.238   3.023  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.450   1.664   1.962  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.336  -0.172   2.216  1.00  0.00           H  
HETATM   61  H   UNL     1       5.312   0.938  -2.573  1.00  0.00           H  
HETATM   62  H   UNL     1       3.680   1.230  -2.846  1.00  0.00           H  
HETATM   63  H   UNL     1       3.146  -2.916  -1.080  1.00  0.00           H  
HETATM   64  H   UNL     1       1.894   0.800  -2.817  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.683  -2.291   4.716  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.609  -1.746   3.297  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.274  -3.478   3.529  1.00  0.00           H  
HETATM   68  H   UNL     1       1.215  -2.902   3.842  1.00  0.00           H  
HETATM   69  H   UNL     1       1.307  -1.370   2.940  1.00  0.00           H  
HETATM   70  H   UNL     1       0.456  -1.433   4.502  1.00  0.00           H  
HETATM   71  H   UNL     1       0.799  -3.641  -0.966  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.447   0.054  -2.697  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.173  -0.306  -0.865  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.157  -2.045   1.465  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.072  -1.496   0.023  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.678  -2.996   1.597  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.692  -3.972   0.481  1.00  0.00           H  
HETATM   78  H   UNL     1       0.294  -2.310   1.007  1.00  0.00           H  
CONECT    1    4   42   43                                            
CONECT    2    3    3    6   44                                       
CONECT    3    2    2    4   10                                       
CONECT    4    1    3   21   21                                       
CONECT    5   16   45   46   47                                       
CONECT    6    2    8    8   48                                       
CONECT    7   13   18   34   49                                       
CONECT    8    6    6    9   11                                       
CONECT    9    8   10   10   50                                       
CONECT   10    3    9    9   51                                       
CONECT   11    8   12   12   13                                       
CONECT   11   20   20                                                 
CONECT   12   11   11                                                 
CONECT   13    7   11   14                                            
CONECT   14   13   15   52   53                                       
CONECT   15   14   16   16   54                                       
CONECT   16    5   15   15   17                                       
CONECT   17   16   55   56   57                                       
CONECT   18    7   19   58   59                                       
CONECT   19   18   35   60                                            
CONECT   20   11   11                                                 
CONECT   21    4    4                                                 
CONECT   22   27   61   62                                            
CONECT   23   26   26   32   63                                       
CONECT   24   27   27                                                 
CONECT   25   26   33   33   64                                       
CONECT   26   23   23   25   27                                       
CONECT   27   22   24   24   26                                       
CONECT   28   31   31   36   37                                       
CONECT   28   41   41                                                 
CONECT   29   40   65   66   67                                       
CONECT   30   40   68   69   70                                       
CONECT   31   28   28                                                 
CONECT   32   23   36   36   71                                       
CONECT   33   25   25   36   72                                       
CONECT   34    7   35   37   73                                       
CONECT   35   19   34   74   75                                       
CONECT   36   28   32   32   33                                       
CONECT   37   28   34   38                                            
CONECT   38   37   39   76   77                                       
CONECT   39   38   40   40   78                                       
CONECT   40   29   30   39   39                                       
CONECT   41   28   28                                                 
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   25                                                      
CONECT   65   29                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   35                                                      
CONECT   76   38                                                      
CONECT   77   38                                                      
CONECT   78   39                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
