COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.105  -1.849  -0.458  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.543  -2.370  -0.412  1.00  0.00           C  
HETATM    3  N   UNL     1     -10.417  -1.457  -1.162  1.00  0.00           N  
HETATM    4  C   UNL     1     -10.062  -1.441  -2.587  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.370  -0.103  -0.593  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.932   0.419  -0.639  1.00  0.00           C  
HETATM    7  N   UNL     1      -8.058  -0.495   0.111  1.00  0.00           N  
HETATM    8  C   UNL     1      -6.745  -0.013   0.151  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.487   1.255   0.657  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.187   1.731   0.697  1.00  0.00           C  
HETATM   11  O   UNL     1      -4.932   2.971   1.191  1.00  0.00           O  
HETATM   12  C   UNL     1      -6.052   3.729   1.654  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.701  -0.804  -0.309  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.404  -0.330  -0.270  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.142   0.938   0.229  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.824   1.419   0.268  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.769   0.535   0.416  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.525   0.989   0.327  1.00  0.00           N  
HETATM   19  C   UNL     1       0.498   0.164   0.465  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.024  -0.745   0.649  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.043  -1.620   0.812  1.00  0.00           C  
HETATM   22  C   UNL     1       0.267  -1.184   0.736  1.00  0.00           C  
HETATM   23  C   UNL     1       1.401  -2.139   0.986  1.00  0.00           C  
HETATM   24  C   UNL     1       2.626  -1.784   0.141  1.00  0.00           C  
HETATM   25  C   UNL     1       2.845  -0.293   0.200  1.00  0.00           C  
HETATM   26  N   UNL     1       1.818   0.601   0.350  1.00  0.00           N  
HETATM   27  C   UNL     1       2.304   1.871   0.360  1.00  0.00           C  
HETATM   28  C   UNL     1       3.645   1.826   0.244  1.00  0.00           C  
HETATM   29  C   UNL     1       4.010   0.401   0.133  1.00  0.00           C  
HETATM   30  C   UNL     1       5.365  -0.157  -0.004  1.00  0.00           C  
HETATM   31  O   UNL     1       5.524  -1.361  -0.069  1.00  0.00           O  
HETATM   32  N   UNL     1       6.431   0.667  -0.058  1.00  0.00           N  
HETATM   33  C   UNL     1       7.707   0.145  -0.297  1.00  0.00           C  
HETATM   34  C   UNL     1       8.265  -0.762   0.594  1.00  0.00           C  
HETATM   35  C   UNL     1       7.498  -1.185   1.820  1.00  0.00           C  
HETATM   36  C   UNL     1       7.111  -2.660   1.695  1.00  0.00           C  
HETATM   37  C   UNL     1       9.525  -1.275   0.355  1.00  0.00           C  
HETATM   38  C   UNL     1      10.230  -0.887  -0.770  1.00  0.00           C  
HETATM   39  C   UNL     1       9.676   0.015  -1.659  1.00  0.00           C  
HETATM   40  C   UNL     1       8.415   0.529  -1.429  1.00  0.00           C  
HETATM   41  C   UNL     1       7.810   1.508  -2.401  1.00  0.00           C  
HETATM   42  C   UNL     1       8.085   2.936  -1.925  1.00  0.00           C  
HETATM   43  H   UNL     1      -7.460  -2.509   0.122  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.761  -1.821  -1.492  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.585  -3.363  -0.860  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.877  -2.424   0.624  1.00  0.00           H  
HETATM   47  H   UNL     1     -10.170  -2.445  -2.999  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.724  -0.757  -3.119  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.030  -1.110  -2.702  1.00  0.00           H  
HETATM   50  H   UNL     1     -11.015   0.558  -1.173  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.714  -0.131   0.441  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.598   0.472  -1.675  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.890   1.411  -0.192  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.299   1.868   1.018  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.710   4.696   2.022  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.752   3.880   0.832  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.549   3.189   2.460  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.903  -1.791  -0.697  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.593  -0.946  -0.628  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.653   2.370   0.191  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.264  -2.660   1.003  1.00  0.00           H  
HETATM   62  H   UNL     1       1.672  -2.102   2.041  1.00  0.00           H  
HETATM   63  H   UNL     1       1.077  -3.149   0.737  1.00  0.00           H  
HETATM   64  H   UNL     1       3.503  -2.298   0.535  1.00  0.00           H  
HETATM   65  H   UNL     1       2.458  -2.087  -0.893  1.00  0.00           H  
HETATM   66  H   UNL     1       1.712   2.770   0.448  1.00  0.00           H  
HETATM   67  H   UNL     1       4.320   2.669   0.223  1.00  0.00           H  
HETATM   68  H   UNL     1       6.313   1.621   0.068  1.00  0.00           H  
HETATM   69  H   UNL     1       8.120  -1.046   2.704  1.00  0.00           H  
HETATM   70  H   UNL     1       6.596  -0.580   1.911  1.00  0.00           H  
HETATM   71  H   UNL     1       8.012  -3.274   1.700  1.00  0.00           H  
HETATM   72  H   UNL     1       6.476  -2.942   2.535  1.00  0.00           H  
HETATM   73  H   UNL     1       6.571  -2.816   0.762  1.00  0.00           H  
HETATM   74  H   UNL     1       9.960  -1.980   1.048  1.00  0.00           H  
HETATM   75  H   UNL     1      11.215  -1.290  -0.954  1.00  0.00           H  
HETATM   76  H   UNL     1      10.229   0.317  -2.536  1.00  0.00           H  
HETATM   77  H   UNL     1       8.252   1.362  -3.386  1.00  0.00           H  
HETATM   78  H   UNL     1       6.733   1.345  -2.459  1.00  0.00           H  
HETATM   79  H   UNL     1       7.642   3.082  -0.939  1.00  0.00           H  
HETATM   80  H   UNL     1       9.161   3.098  -1.867  1.00  0.00           H  
HETATM   81  H   UNL     1       7.647   3.644  -2.628  1.00  0.00           H  
CONECT    1    7    2   43   44                                       
CONECT    2    1    3   45   46                                       
CONECT    3    2    5    4                                            
CONECT    4    3   47   48   49                                       
CONECT    5    6    3   50   51                                       
CONECT    6    7    5   52   53                                       
CONECT    7    8    1    6                                            
CONECT    8    9    9   13    7                                       
CONECT    9   10    8    8   54                                       
CONECT   10   11   15   15    9                                       
CONECT   11   12   10                                                 
CONECT   12   11   55   56   57                                       
CONECT   13   14   14    8   58                                       
CONECT   14   15   13   13   59                                       
CONECT   15   16   10   10   14                                       
CONECT   16   17   15   60                                            
CONECT   17   20   16   18   18                                       
CONECT   18   17   17   19                                            
CONECT   19   22   22   18   26                                       
CONECT   20   21   21   17                                            
CONECT   21   20   20   22   61                                       
CONECT   22   21   23   19   19                                       
CONECT   23   22   24   62   63                                       
CONECT   24   23   25   64   65                                       
CONECT   25   24   26   29   29                                       
CONECT   26   19   25   27                                            
CONECT   27   26   28   28   66                                       
CONECT   28   29   27   27   67                                       
CONECT   29   25   25   30   28                                       
CONECT   30   31   31   29   32                                       
CONECT   31   30   30                                                 
CONECT   32   30   33   68                                            
CONECT   33   34   32   40   40                                       
CONECT   34   35   37   37   33                                       
CONECT   35   34   36   69   70                                       
CONECT   36   35   71   72   73                                       
CONECT   37   34   34   38   74                                       
CONECT   38   37   39   39   75                                       
CONECT   39   38   38   40   76                                       
CONECT   40   33   33   39   41                                       
CONECT   41   40   42   77   78                                       
CONECT   42   41   79   80   81                                       
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    9                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   16                                                      
CONECT   61   21                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   32                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   41                                                      
CONECT   78   41                                                      
CONECT   79   42                                                      
CONECT   80   42                                                      
CONECT   81   42                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
