COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.902   4.364  -0.324  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.367   2.773  -1.087  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.632   2.010  -1.382  1.00  0.00           C  
HETATM    4  N   UNL     1       6.691   2.661  -1.332  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.829   2.760  -0.794  1.00  0.00           C  
HETATM    6  O   UNL     1       6.236  -1.599  -0.357  1.00  0.00           O  
HETATM    7  C   UNL     1       4.508   3.178   0.336  1.00  0.00           C  
HETATM    8  C   UNL     1       0.953   3.594   0.256  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.173   4.589  -0.032  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.428   3.843  -0.246  1.00  0.00           N  
HETATM   11  C   UNL     1       2.284   4.164  -0.235  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.312   2.437  -1.584  1.00  0.00           O  
HETATM   13  C   UNL     1       3.340   4.014   0.862  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.323  -0.192  -2.831  1.00  0.00           O  
HETATM   15  C   UNL     1       6.800   3.672  -0.407  1.00  0.00           C  
HETATM   16  N   UNL     1      -8.764   2.814  -0.453  1.00  0.00           N  
HETATM   17  N   UNL     1       5.746   3.955   0.430  1.00  0.00           N  
HETATM   18  C   UNL     1       4.639   1.922   1.161  1.00  0.00           C  
HETATM   19  O   UNL     1       4.242   1.886   2.306  1.00  0.00           O  
HETATM   20  C   UNL     1      -5.124   2.052  -1.199  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.321   2.802  -0.612  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.615   2.094  -1.017  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.404  -0.380  -1.635  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.349  -1.776  -1.071  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.860  -1.727   0.377  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.833  -0.933   1.210  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.551   0.144   1.959  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.757  -0.195   2.220  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.269  -1.187   1.350  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.141  -2.144   0.826  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.465  -2.111   1.162  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.951  -1.134   2.020  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.109  -0.181   2.548  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.774  -3.590  -1.224  1.00  0.00           C  
HETATM   35  C   UNL     1       0.199  -4.453  -1.989  1.00  0.00           C  
HETATM   36  C   UNL     1       1.305  -4.885  -1.060  1.00  0.00           C  
HETATM   37  C   UNL     1       2.495  -4.186  -1.025  1.00  0.00           C  
HETATM   38  C   UNL     1       3.503  -4.578  -0.162  1.00  0.00           C  
HETATM   39  C   UNL     1       4.802  -3.816  -0.120  1.00  0.00           C  
HETATM   40  C   UNL     1       5.443  -1.589   0.560  1.00  0.00           C  
HETATM   41  C   UNL     1       5.317  -0.376   1.448  1.00  0.00           C  
HETATM   42  C   UNL     1       3.319  -5.675   0.660  1.00  0.00           C  
HETATM   43  C   UNL     1       2.131  -6.381   0.616  1.00  0.00           C  
HETATM   44  C   UNL     1       1.123  -5.984  -0.243  1.00  0.00           C  
HETATM   45  N   UNL     1      -2.545   0.668  -0.775  1.00  0.00           N  
HETATM   46  N   UNL     1      -3.687   0.597   2.572  1.00  0.00           N  
HETATM   47  N   UNL     1      -1.414  -2.582  -1.888  1.00  0.00           N  
HETATM   48  N   UNL     1       4.655  -2.672   0.802  1.00  0.00           N  
HETATM   49  N   UNL     1       5.216   0.824   0.585  1.00  0.00           N  
HETATM   50  O   UNL     1      -0.983  -3.786  -0.045  1.00  0.00           O  
HETATM   51  H   UNL     1       7.979   5.077   0.329  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.757   1.914  -2.460  1.00  0.00           H  
HETATM   53  H   UNL     1       7.435   2.462  -1.922  1.00  0.00           H  
HETATM   54  H   UNL     1       5.871   2.146  -1.394  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.749   2.776   0.293  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.840   3.782  -1.173  1.00  0.00           H  
HETATM   57  H   UNL     1       4.324   2.911  -0.705  1.00  0.00           H  
HETATM   58  H   UNL     1       1.010   3.412   1.329  1.00  0.00           H  
HETATM   59  H   UNL     1       0.749   2.656  -0.261  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.289   5.264   0.816  1.00  0.00           H  
HETATM   61  H   UNL     1       0.068   5.163  -0.927  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.255   4.101   0.190  1.00  0.00           H  
HETATM   63  H   UNL     1       2.606   3.622  -1.125  1.00  0.00           H  
HETATM   64  H   UNL     1       2.160   5.220  -0.478  1.00  0.00           H  
HETATM   65  H   UNL     1       2.898   3.518   1.726  1.00  0.00           H  
HETATM   66  H   UNL     1       3.702   5.000   1.155  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.760   3.782  -0.738  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.632   2.366  -0.707  1.00  0.00           H  
HETATM   69  H   UNL     1       5.823   4.668   1.082  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.203   2.035  -2.286  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.113   1.030  -0.820  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.241   2.819   0.475  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.331   3.824  -0.991  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.605   1.072  -0.638  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.695   2.078  -2.104  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.343  -2.224  -1.106  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.786  -2.740   0.771  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.879  -1.251   0.413  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.571   0.587   2.064  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.770  -2.907   0.157  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.139  -2.852   0.756  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.000  -1.121   2.275  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.496   0.575   3.215  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.319  -5.331  -2.375  1.00  0.00           H  
HETATM   85  H   UNL     1       0.618  -3.883  -2.818  1.00  0.00           H  
HETATM   86  H   UNL     1       2.640  -3.332  -1.671  1.00  0.00           H  
HETATM   87  H   UNL     1       5.598  -4.471   0.234  1.00  0.00           H  
HETATM   88  H   UNL     1       5.044  -3.452  -1.118  1.00  0.00           H  
HETATM   89  H   UNL     1       4.422  -0.462   2.063  1.00  0.00           H  
HETATM   90  H   UNL     1       6.196  -0.295   2.087  1.00  0.00           H  
HETATM   91  H   UNL     1       4.103  -5.980   1.336  1.00  0.00           H  
HETATM   92  H   UNL     1       1.991  -7.242   1.253  1.00  0.00           H  
HETATM   93  H   UNL     1       0.194  -6.533  -0.274  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.586   0.538   0.185  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.733   1.363   3.166  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.265  -2.405  -2.830  1.00  0.00           H  
HETATM   97  H   UNL     1       4.028  -2.692   1.542  1.00  0.00           H  
HETATM   98  H   UNL     1       5.539   0.831  -0.330  1.00  0.00           H  
CONECT    1   15   15   51                                            
CONECT    2    3   12   12   10                                       
CONECT    3    5   45    2   52                                       
CONECT    4   15   53   54                                            
CONECT    5   20    3   55   56                                       
CONECT    6   40   40                                                 
CONECT    7   18   17   13   57                                       
CONECT    8   11    9   58   59                                       
CONECT    9   10    8   60   61                                       
CONECT   10    2    9   62                                            
CONECT   11   13    8   63   64                                       
CONECT   12    2    2                                                 
CONECT   13    7   11   65   66                                       
CONECT   14   23   23                                                 
CONECT   15    1    1    4   17                                       
CONECT   16   22   67   68                                            
CONECT   17   15    7   69                                            
CONECT   18   19   19   49    7                                       
CONECT   19   18   18                                                 
CONECT   20   21    5   70   71                                       
CONECT   21   22   20   72   73                                       
CONECT   22   16   21   74   75                                       
CONECT   23   24   45   14   14                                       
CONECT   24   47   25   23   76                                       
CONECT   25   26   24   77   78                                       
CONECT   26   29   27   27   25                                       
CONECT   27   46   26   26   79                                       
CONECT   28   33   46   29   29                                       
CONECT   29   28   28   30   26                                       
CONECT   30   31   31   29   80                                       
CONECT   31   32   30   30   81                                       
CONECT   32   33   33   31   82                                       
CONECT   33   32   32   28   83                                       
CONECT   34   35   47   50   50                                       
CONECT   35   36   34   84   85                                       
CONECT   36   44   35   37   37                                       
CONECT   37   36   36   38   86                                       
CONECT   38   42   42   37   39                                       
CONECT   39   38   48   87   88                                       
CONECT   40    6    6   48   41                                       
CONECT   41   40   49   89   90                                       
CONECT   42   43   38   38   91                                       
CONECT   43   44   44   42   92                                       
CONECT   44   43   43   36   93                                       
CONECT   45   23    3   94                                            
CONECT   46   28   27   95                                            
CONECT   47   34   24   96                                            
CONECT   48   39   40   97                                            
CONECT   49   41   18   98                                            
CONECT   50   34   34                                                 
CONECT   51    1                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   11                                                      
CONECT   65   13                                                      
CONECT   66   13                                                      
CONECT   67   16                                                      
CONECT   68   16                                                      
CONECT   69   17                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   25                                                      
CONECT   79   27                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   35                                                      
CONECT   85   35                                                      
CONECT   86   37                                                      
CONECT   87   39                                                      
CONECT   88   39                                                      
CONECT   89   41                                                      
CONECT   90   41                                                      
CONECT   91   42                                                      
CONECT   92   43                                                      
CONECT   93   44                                                      
CONECT   94   45                                                      
CONECT   95   46                                                      
CONECT   96   47                                                      
CONECT   97   48                                                      
CONECT   98   49                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
