COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.734  -1.234   0.476  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.216   0.048   0.677  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.852   0.255   0.628  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.993  -0.816   0.379  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.508  -2.091   0.179  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.868  -2.303   0.227  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.191  -1.461   0.534  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.531   0.680  -0.611  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.090   0.815  -2.032  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.964  -0.636  -1.517  1.00  0.00           C  
HETATM   11  O   UNL     1      -7.631  -2.450   1.088  1.00  0.00           O  
HETATM   12  N   UNL     1      -8.034  -0.573  -0.028  1.00  0.00           N  
HETATM   13  O   UNL     1      -3.346   1.502   0.822  1.00  0.00           O  
HETATM   14  N   UNL     1      -1.614  -0.606   0.329  1.00  0.00           N  
HETATM   15  N   UNL     1      -9.553   0.692  -1.992  1.00  0.00           N  
HETATM   16  C   UNL     1      -9.481  -0.830  -0.075  1.00  0.00           C  
HETATM   17  C   UNL     1     -10.142   0.986  -3.306  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.768  -1.612   0.627  1.00  0.00           C  
HETATM   19  C   UNL     1       0.683  -1.368   0.663  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.204  -2.723   0.865  1.00  0.00           O  
HETATM   21  S   UNL     1       3.155  -1.686   0.902  1.00  0.00           S  
HETATM   22  C   UNL     1       1.576  -2.341   0.956  1.00  0.00           C  
HETATM   23  C   UNL     1       2.505  -0.108   0.475  1.00  0.00           C  
HETATM   24  N   UNL     1       1.211  -0.179   0.407  1.00  0.00           N  
HETATM   25  C   UNL     1       3.309   1.111   0.233  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.277   2.539   1.138  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.428   2.644   2.656  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.767   3.870   0.582  1.00  0.00           C  
HETATM   29  C   UNL     1       2.678   2.312  -0.095  1.00  0.00           C  
HETATM   30  C   UNL     1       3.430   3.447  -0.320  1.00  0.00           C  
HETATM   31  C   UNL     1       4.808   3.400  -0.222  1.00  0.00           C  
HETATM   32  C   UNL     1       5.445   2.208   0.103  1.00  0.00           C  
HETATM   33  C   UNL     1       4.699   1.064   0.336  1.00  0.00           C  
HETATM   34  N   UNL     1       6.841   2.165   0.200  1.00  0.00           N  
HETATM   35  C   UNL     1       7.508   1.053  -0.167  1.00  0.00           C  
HETATM   36  N   UNL     1       8.841   0.975   0.016  1.00  0.00           N  
HETATM   37  O   UNL     1       6.907   0.120  -0.664  1.00  0.00           O  
HETATM   38  C   UNL     1       9.548  -0.136  -0.456  1.00  0.00           C  
HETATM   39  C   UNL     1       9.157  -0.762  -1.632  1.00  0.00           C  
HETATM   40  C   UNL     1       9.861  -1.856  -2.097  1.00  0.00           C  
HETATM   41  C   UNL     1      10.954  -2.327  -1.394  1.00  0.00           C  
HETATM   42  C   UNL     1      11.346  -1.706  -0.222  1.00  0.00           C  
HETATM   43  C   UNL     1      10.646  -0.612   0.249  1.00  0.00           C  
HETATM   44  H   UNL     1      -5.883   0.876   0.869  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.841  -2.918  -0.014  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.266  -3.295   0.072  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.442   0.656  -0.647  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.861   1.525  -0.006  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.818   1.789  -2.439  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.675   0.029  -2.662  1.00  0.00           H  
HETATM   51  H   UNL     1     -11.050  -0.715  -1.551  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.523  -1.403  -2.155  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.265   0.264   0.081  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.999  -0.132   0.581  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.681  -1.854   0.243  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.752   0.285  -4.044  1.00  0.00           H  
HETATM   57  H   UNL     1     -11.226   0.887  -3.248  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.885   2.004  -3.599  1.00  0.00           H  
HETATM   59  H   UNL     1       1.331  -3.367   1.187  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.244   2.306   0.692  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.461   2.877   3.102  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.139   3.435   2.897  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.792   1.696   3.052  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.659   3.795  -0.500  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.477   4.661   0.823  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.799   4.102   1.028  1.00  0.00           H  
HETATM   67  H   UNL     1       1.602   2.352  -0.172  1.00  0.00           H  
HETATM   68  H   UNL     1       2.940   4.376  -0.573  1.00  0.00           H  
HETATM   69  H   UNL     1       5.391   4.291  -0.400  1.00  0.00           H  
HETATM   70  H   UNL     1       5.192   0.138   0.594  1.00  0.00           H  
HETATM   71  H   UNL     1       7.328   2.936   0.531  1.00  0.00           H  
HETATM   72  H   UNL     1       9.310   1.690   0.475  1.00  0.00           H  
HETATM   73  H   UNL     1       8.303  -0.395  -2.182  1.00  0.00           H  
HETATM   74  H   UNL     1       9.557  -2.343  -3.012  1.00  0.00           H  
HETATM   75  H   UNL     1      11.503  -3.182  -1.760  1.00  0.00           H  
HETATM   76  H   UNL     1      12.200  -2.077   0.326  1.00  0.00           H  
HETATM   77  H   UNL     1      10.956  -0.125   1.162  1.00  0.00           H  
CONECT    1    7    2    2    6                                       
CONECT    2    1    1    3   44                                       
CONECT    3    2   13    4    4                                       
CONECT    4    3    3    5   14                                       
CONECT    5    6    6    4   45                                       
CONECT    6    1    5    5   46                                       
CONECT    7   11   11   12    1                                       
CONECT    8   12    9   47   48                                       
CONECT    9    8   15   49   50                                       
CONECT   10   16   15   51   52                                       
CONECT   11    7    7                                                 
CONECT   12    7    8   16                                            
CONECT   13   26    3                                                 
CONECT   14    4   18   53                                            
CONECT   15    9   10   17                                            
CONECT   16   12   10   54   55                                       
CONECT   17   15   56   57   58                                       
CONECT   18   14   20   20   19                                       
CONECT   19   18   24   22   22                                       
CONECT   20   18   18                                                 
CONECT   21   23   22                                                 
CONECT   22   19   19   21   59                                       
CONECT   23   24   24   25   21                                       
CONECT   24   19   23   23                                            
CONECT   25   29   29   23   33                                       
CONECT   26   27   13   28   60                                       
CONECT   27   26   61   62   63                                       
CONECT   28   26   64   65   66                                       
CONECT   29   30   25   25   67                                       
CONECT   30   29   31   31   68                                       
CONECT   31   30   30   32   69                                       
CONECT   32   31   33   33   34                                       
CONECT   33   25   32   32   70                                       
CONECT   34   35   32   71                                            
CONECT   35   37   37   36   34                                       
CONECT   36   38   35   72                                            
CONECT   37   35   35                                                 
CONECT   38   39   39   43   36                                       
CONECT   39   40   38   38   73                                       
CONECT   40   41   41   39   74                                       
CONECT   41   40   40   42   75                                       
CONECT   42   41   43   43   76                                       
CONECT   43   42   42   38   77                                       
CONECT   44    2                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   14                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   22                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   36                                                      
CONECT   73   39                                                      
CONECT   74   40                                                      
CONECT   75   41                                                      
CONECT   76   42                                                      
CONECT   77   43                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
