COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.607  -0.124  -0.202  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.621   0.589  -0.267  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.455  -0.784   0.621  1.00  0.00           C  
HETATM    4  N   UNL     1       6.889   1.414  -0.508  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.829   3.263   1.678  1.00  0.00           C  
HETATM    6  C   UNL     1       2.040  -2.344   2.833  1.00  0.00           C  
HETATM    7  N   UNL     1       3.025  -1.801   3.547  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.010   3.983  -1.541  1.00  0.00           C  
HETATM    9  C   UNL     1       3.797  -1.288   0.373  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.883   1.022   0.512  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.885  -1.139   0.207  1.00  0.00           C  
HETATM   12  C   UNL     1       2.528  -0.747   1.035  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.931   2.555   0.325  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.920  -1.412  -1.300  1.00  0.00           C  
HETATM   15  C   UNL     1       1.686  -0.005  -0.005  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.693   2.867  -0.544  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.925  -2.529  -1.629  1.00  0.00           C  
HETATM   18  C   UNL     1       2.496   1.158  -0.580  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.532  -2.120  -1.144  1.00  0.00           C  
HETATM   20  C   UNL     1       3.765   0.618  -1.242  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.543  -3.257  -1.415  1.00  0.00           C  
HETATM   22  C   UNL     1       6.922   0.162  -0.962  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.833   0.169   1.980  1.00  0.00           C  
HETATM   24  N   UNL     1       5.822  -0.641  -0.836  1.00  0.00           N  
HETATM   25  N   UNL     1      -5.781  -0.019   0.524  1.00  0.00           N1+
HETATM   26  N   UNL     1       1.752  -1.862   1.586  1.00  0.00           N  
HETATM   27  N   UNL     1       8.027  -0.308  -1.538  1.00  0.00           N1+
HETATM   28  N   UNL     1       1.335  -3.357   3.334  1.00  0.00           N1+
HETATM   29  O   UNL     1      -3.049   0.413  -0.046  1.00  0.00           O  
HETATM   30  O   UNL     1       4.583  -1.980   1.345  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.129   2.940  -0.353  1.00  0.00           O  
HETATM   32  O   UNL     1      -6.236  -1.814  -1.683  1.00  0.00           O  
HETATM   33  O   UNL     1       0.500   0.499   0.613  1.00  0.00           O  
HETATM   34  O   UNL     1      -0.412   1.634  -1.242  1.00  0.00           O  
HETATM   35  O   UNL     1      -3.896  -2.742  -3.042  1.00  0.00           O  
HETATM   36  O   UNL     1       1.709   1.851  -1.552  1.00  0.00           O  
HETATM   37  O   UNL     1      -2.576  -1.852   0.259  1.00  0.00           O  
HETATM   38  O   UNL     1       4.521   1.705  -1.780  1.00  0.00           O  
HETATM   39  O   UNL     1      -0.223  -2.832  -1.070  1.00  0.00           O  
HETATM   40  O   UNL     1      -1.875   4.678   1.480  1.00  0.00           O  
HETATM   41  O   UNL     1      -2.920   2.862   2.509  1.00  0.00           O  
HETATM   42  H   UNL     1       4.879   0.561   0.600  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.792  -0.366  -0.765  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.416  -0.631   1.699  1.00  0.00           H  
HETATM   45  H   UNL     1       6.084   1.756  -0.088  1.00  0.00           H  
HETATM   46  H   UNL     1       7.669   1.983  -0.597  1.00  0.00           H  
HETATM   47  H   UNL     1       3.538  -1.064   3.182  1.00  0.00           H  
HETATM   48  H   UNL     1       3.229  -2.144   4.431  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.299   4.884  -0.999  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.127   4.191  -2.146  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.829   3.671  -2.189  1.00  0.00           H  
HETATM   52  H   UNL     1       3.524  -1.973  -0.430  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.786   0.769   1.567  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.210  -2.029   0.746  1.00  0.00           H  
HETATM   55  H   UNL     1       2.800  -0.062   1.838  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.643  -0.507  -1.841  1.00  0.00           H  
HETATM   57  H   UNL     1       1.413  -0.691  -0.808  1.00  0.00           H  
HETATM   58  H   UNL     1       0.151   3.149   0.085  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.230  -3.448  -1.127  1.00  0.00           H  
HETATM   60  H   UNL     1       2.768   1.843   0.222  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.210  -1.224  -1.676  1.00  0.00           H  
HETATM   62  H   UNL     1       3.493  -0.067  -2.045  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.814  -4.124  -0.814  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.575  -3.522  -2.471  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.833   0.386   2.354  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.498   1.001   2.215  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.208  -0.740   2.450  1.00  0.00           H  
HETATM   68  H   UNL     1       5.846  -1.553  -1.167  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.433   0.823   0.088  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.707  -0.220   0.177  1.00  0.00           H  
HETATM   71  H   UNL     1       1.035  -2.257   1.067  1.00  0.00           H  
HETATM   72  H   UNL     1       8.052  -1.220  -1.869  1.00  0.00           H  
HETATM   73  H   UNL     1       1.539  -3.700   4.219  1.00  0.00           H  
HETATM   74  H   UNL     1       5.405  -2.350   0.994  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.211   3.893  -0.496  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.331  -2.003  -2.627  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.282  -3.435  -3.322  1.00  0.00           H  
HETATM   78  H   UNL     1       2.161   2.603  -1.959  1.00  0.00           H  
HETATM   79  H   UNL     1       4.048   2.221  -2.447  1.00  0.00           H  
HETATM   80  H   UNL     1       0.457  -3.503  -1.216  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.815   5.191   2.297  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.790   3.071   2.144  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.888   2.995   2.158  1.00  0.00           H  
HETATM   84  H   UNL     1       8.807   0.261  -1.628  1.00  0.00           H  
HETATM   85  H   UNL     1       0.618  -3.753   2.815  1.00  0.00           H  
CONECT    1    9   24   20   42                                       
CONECT    2   10   34   33   43                                       
CONECT    3   37   11   29   44                                       
CONECT    4   22   45   46                                            
CONECT    5   13   40   41   83                                       
CONECT    6   28   28    7   26                                       
CONECT    7    6   47   48                                            
CONECT    8   16   49   50   51                                       
CONECT    9   30   12    1   52                                       
CONECT   10   29    2   13   53                                       
CONECT   11   14    3   25   54                                       
CONECT   12   26    9   15   55                                       
CONECT   13   10   31   16    5                                       
CONECT   14   17   32   11   56                                       
CONECT   15   12   33   18   57                                       
CONECT   16   34   13    8   58                                       
CONECT   17   35   19   14   59                                       
CONECT   18   15   20   36   60                                       
CONECT   19   21   17   37   61                                       
CONECT   20    1   18   38   62                                       
CONECT   21   39   19   63   64                                       
CONECT   22   27   27   24    4                                       
CONECT   23   25   65   66   67                                       
CONECT   24   22    1   68                                            
CONECT   25   11   23   69   70                                       
CONECT   26    6   12   71                                            
CONECT   27   22   22   72   84                                       
CONECT   28    6    6   73   85                                       
CONECT   29    3   10                                                 
CONECT   30    9   74                                                 
CONECT   31   13   75                                                 
CONECT   32   14   76                                                 
CONECT   33    2   15                                                 
CONECT   34    2   16                                                 
CONECT   35   17   77                                                 
CONECT   36   18   78                                                 
CONECT   37   19    3                                                 
CONECT   38   20   79                                                 
CONECT   39   21   80                                                 
CONECT   40    5   81                                                 
CONECT   41    5   82                                                 
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   40                                                      
CONECT   82   41                                                      
CONECT   83    5                                                      
CONECT   84   27                                                      
CONECT   85   28                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
