COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.426   3.498   1.233  1.00  0.00           N  
HETATM    2  N   UNL     1       3.715   5.331   1.054  1.00  0.00           N1-
HETATM    3  C   UNL     1       3.990   1.763   0.510  1.00  0.00           C  
HETATM    4  C   UNL     1       5.050   2.768   0.138  1.00  0.00           C  
HETATM    5  C   UNL     1       5.520   2.828  -1.161  1.00  0.00           C  
HETATM    6  C   UNL     1       6.493   3.749  -1.501  1.00  0.00           C  
HETATM    7  C   UNL     1       6.995   4.611  -0.544  1.00  0.00           C  
HETATM    8  C   UNL     1       5.548   3.633   1.094  1.00  0.00           C  
HETATM    9  C   UNL     1       3.112  -1.654   0.992  1.00  0.00           C  
HETATM   10  C   UNL     1       1.774  -3.462   0.158  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.328   4.223  -1.009  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.939   1.718  -2.113  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.025   1.949  -1.288  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.219   3.202  -0.737  1.00  0.00           C  
HETATM   15  C   UNL     1       6.653  -3.841   0.068  1.00  0.00           C  
HETATM   16  C   UNL     1       7.698  -5.810  -0.805  1.00  0.00           C  
HETATM   17  C   UNL     1       5.308  -5.657  -0.770  1.00  0.00           C  
HETATM   18  C   UNL     1       7.795  -4.555  -0.233  1.00  0.00           C  
HETATM   19  C   UNL     1       6.457  -6.358  -1.078  1.00  0.00           C  
HETATM   20  C   UNL     1       5.400  -4.390  -0.199  1.00  0.00           C  
HETATM   21  C   UNL     1       4.169  -3.627   0.124  1.00  0.00           C  
HETATM   22  C   UNL     1       2.916  -4.176  -0.143  1.00  0.00           C  
HETATM   23  C   UNL     1       4.261  -2.359   0.694  1.00  0.00           C  
HETATM   24  C   UNL     1       1.871  -2.204   0.725  1.00  0.00           C  
HETATM   25  C   UNL     1       0.621  -1.429   1.052  1.00  0.00           C  
HETATM   26  C   UNL     1       0.219  -0.576  -0.152  1.00  0.00           C  
HETATM   27  N   UNL     1       1.249   0.436  -0.399  1.00  0.00           N  
HETATM   28  C   UNL     1       1.547   1.340   0.555  1.00  0.00           C  
HETATM   29  O   UNL     1       0.963   1.315   1.618  1.00  0.00           O  
HETATM   30  C   UNL     1       2.606   2.382   0.302  1.00  0.00           C  
HETATM   31  N   UNL     1       3.070   4.415   1.144  1.00  0.00           N1+
HETATM   32  C   UNL     1       6.524   4.551   0.754  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.096   0.103   0.129  1.00  0.00           C  
HETATM   34  O   UNL     1      -1.116   1.263   0.482  1.00  0.00           O  
HETATM   35  N   UNL     1      -2.250  -0.579  -0.011  1.00  0.00           N  
HETATM   36  C   UNL     1      -3.529   0.082   0.263  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.992   0.834  -0.986  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.051   2.741  -2.390  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.246   3.993  -1.838  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.559  -0.953   0.636  1.00  0.00           C  
HETATM   41  O   UNL     1      -4.255  -2.127   0.670  1.00  0.00           O  
HETATM   42  N   UNL     1      -5.818  -0.575   0.933  1.00  0.00           N  
HETATM   43  C   UNL     1      -6.819  -1.581   1.296  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.727  -1.874   2.795  1.00  0.00           C  
HETATM   45  C   UNL     1      -8.217  -1.052   0.965  1.00  0.00           C  
HETATM   46  O   UNL     1      -8.479   0.119   1.740  1.00  0.00           O  
HETATM   47  C   UNL     1      -8.291  -0.706  -0.524  1.00  0.00           C  
HETATM   48  C   UNL     1      -9.655  -0.087  -0.836  1.00  0.00           C  
HETATM   49  C   UNL     1      -8.107  -1.979  -1.353  1.00  0.00           C  
HETATM   50  O   UNL     1      -8.061  -1.641  -2.741  1.00  0.00           O  
HETATM   51  H   UNL     1       4.090   0.879  -0.120  1.00  0.00           H  
HETATM   52  H   UNL     1       4.108   1.480   1.556  1.00  0.00           H  
HETATM   53  H   UNL     1       5.128   2.155  -1.909  1.00  0.00           H  
HETATM   54  H   UNL     1       6.861   3.796  -2.516  1.00  0.00           H  
HETATM   55  H   UNL     1       7.755   5.330  -0.810  1.00  0.00           H  
HETATM   56  H   UNL     1       5.177   3.589   2.108  1.00  0.00           H  
HETATM   57  H   UNL     1       3.182  -0.673   1.438  1.00  0.00           H  
HETATM   58  H   UNL     1       0.803  -3.886  -0.049  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.480   5.202  -0.578  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.787   0.739  -2.543  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.067   3.383  -0.093  1.00  0.00           H  
HETATM   62  H   UNL     1       6.730  -2.860   0.515  1.00  0.00           H  
HETATM   63  H   UNL     1       8.594  -6.365  -1.039  1.00  0.00           H  
HETATM   64  H   UNL     1       4.340  -6.086  -0.983  1.00  0.00           H  
HETATM   65  H   UNL     1       8.766  -4.132  -0.023  1.00  0.00           H  
HETATM   66  H   UNL     1       6.387  -7.335  -1.533  1.00  0.00           H  
HETATM   67  H   UNL     1       2.839  -5.158  -0.585  1.00  0.00           H  
HETATM   68  H   UNL     1       5.229  -1.929   0.903  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.185  -2.124   1.291  1.00  0.00           H  
HETATM   70  H   UNL     1       0.808  -0.783   1.909  1.00  0.00           H  
HETATM   71  H   UNL     1       0.118  -1.213  -1.031  1.00  0.00           H  
HETATM   72  H   UNL     1       1.716   0.456  -1.249  1.00  0.00           H  
HETATM   73  H   UNL     1       2.520   2.746  -0.722  1.00  0.00           H  
HETATM   74  H   UNL     1       6.913   5.227   1.502  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.234  -1.507  -0.294  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.406   0.785   1.086  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.984   1.251  -0.812  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.030   0.147  -1.831  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.204   2.560  -3.034  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.552   4.792  -2.054  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.061   0.364   0.905  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.634  -2.496   0.734  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.912  -0.958   3.356  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.472  -2.622   3.065  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.732  -2.250   3.031  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.958  -1.816   1.198  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.856   0.842   1.583  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.504   0.006  -0.771  1.00  0.00           H  
HETATM   89  H   UNL     1     -10.438  -0.825  -0.659  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.818   0.776  -0.191  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.681   0.228  -1.879  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.176  -2.468  -1.067  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.943  -2.655  -1.172  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.945  -2.401  -3.327  1.00  0.00           H  
CONECT    1   30   31   31                                            
CONECT    2   31   31                                                 
CONECT    3   30    4   51   52                                       
CONECT    4    3    8    8    5                                       
CONECT    5    4    6    6   53                                       
CONECT    6    5    5    7   54                                       
CONECT    7   32   32    6   55                                       
CONECT    8    4    4   32   56                                       
CONECT    9   24   24   23   57                                       
CONECT   10   24   22   22   58                                       
CONECT   11   14   14   39   59                                       
CONECT   12   13   13   38   60                                       
CONECT   13   37   12   12   14                                       
CONECT   14   13   11   11   61                                       
CONECT   15   20   20   18   62                                       
CONECT   16   18   18   19   63                                       
CONECT   17   20   19   19   64                                       
CONECT   18   15   16   16   65                                       
CONECT   19   17   17   16   66                                       
CONECT   20   21   15   15   17                                       
CONECT   21   23   23   22   20                                       
CONECT   22   10   10   21   67                                       
CONECT   23    9   21   21   68                                       
CONECT   24   25    9    9   10                                       
CONECT   25   26   24   69   70                                       
CONECT   26   33   25   27   71                                       
CONECT   27   26   28   72                                            
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28    3    1   73                                       
CONECT   31    2    2    1    1                                       
CONECT   32    8    7    7   74                                       
CONECT   33   35   34   34   26                                       
CONECT   34   33   33                                                 
CONECT   35   36   33   75                                            
CONECT   36   40   37   35   76                                       
CONECT   37   36   13   77   78                                       
CONECT   38   12   39   39   79                                       
CONECT   39   38   38   11   80                                       
CONECT   40   42   41   41   36                                       
CONECT   41   40   40                                                 
CONECT   42   43   40   81                                            
CONECT   43   45   44   42   82                                       
CONECT   44   43   83   84   85                                       
CONECT   45   47   46   43   86                                       
CONECT   46   45   87                                                 
CONECT   47   45   49   48   88                                       
CONECT   48   47   89   90   91                                       
CONECT   49   47   50   92   93                                       
CONECT   50   49   94                                                 
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   30                                                      
CONECT   74   32                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   42                                                      
CONECT   82   43                                                      
CONECT   83   44                                                      
CONECT   84   44                                                      
CONECT   85   44                                                      
CONECT   86   45                                                      
CONECT   87   46                                                      
CONECT   88   47                                                      
CONECT   89   48                                                      
CONECT   90   48                                                      
CONECT   91   48                                                      
CONECT   92   49                                                      
CONECT   93   49                                                      
CONECT   94   50                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
