COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.914  -1.477   1.133  1.00  0.00           O  
HETATM    2  C   UNL     1       4.668  -0.858  -0.131  1.00  0.00           C  
HETATM    3  C   UNL     1       4.891   0.653  -0.013  1.00  0.00           C  
HETATM    4  N   UNL     1       6.297   0.917   0.321  1.00  0.00           N  
HETATM    5  C   UNL     1       6.518   0.835   1.771  1.00  0.00           C  
HETATM    6  C   UNL     1       4.549   1.315  -1.351  1.00  0.00           C  
HETATM    7  C   UNL     1       4.694   2.832  -1.223  1.00  0.00           C  
HETATM    8  O   UNL     1       5.437   0.834  -2.362  1.00  0.00           O  
HETATM    9  C   UNL     1       3.107   0.969  -1.729  1.00  0.00           C  
HETATM   10  O   UNL     1       2.960  -0.451  -1.792  1.00  0.00           O  
HETATM   11  C   UNL     1       3.220  -1.120  -0.556  1.00  0.00           C  
HETATM   12  O   UNL     1       2.332  -0.628   0.449  1.00  0.00           O  
HETATM   13  C   UNL     1       0.983  -1.077   0.303  1.00  0.00           C  
HETATM   14  C   UNL     1       0.796  -2.388   1.068  1.00  0.00           C  
HETATM   15  N   UNL     1       1.711  -3.404   0.529  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.648  -2.869   0.911  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.601  -1.811   1.472  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.987  -2.273   1.321  1.00  0.00           N  
HETATM   19  C   UNL     1       0.030  -0.019   0.863  1.00  0.00           C  
HETATM   20  O   UNL     1       0.205   1.206   0.149  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.414  -0.500   0.707  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.304   0.488   1.231  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.692   1.483   0.281  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.391   2.636   1.006  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.492   3.190   2.027  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.665   2.111   1.676  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.559   1.466   0.613  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.589   0.908  -0.672  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.776   0.358  -0.097  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.642  -0.251  -1.202  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.915   0.804  -2.276  1.00  0.00           C  
HETATM   32  N   UNL     1      -4.939  -1.392  -1.803  1.00  0.00           N  
HETATM   33  C   UNL     1      -5.888  -2.339  -2.403  1.00  0.00           C  
HETATM   34  H   UNL     1       4.791  -2.437   1.131  1.00  0.00           H  
HETATM   35  H   UNL     1       5.347  -1.269  -0.877  1.00  0.00           H  
HETATM   36  H   UNL     1       4.248   1.056   0.770  1.00  0.00           H  
HETATM   37  H   UNL     1       6.911   0.288  -0.174  1.00  0.00           H  
HETATM   38  H   UNL     1       5.894   1.573   2.276  1.00  0.00           H  
HETATM   39  H   UNL     1       6.257  -0.163   2.123  1.00  0.00           H  
HETATM   40  H   UNL     1       7.567   1.035   1.991  1.00  0.00           H  
HETATM   41  H   UNL     1       5.720   3.078  -0.948  1.00  0.00           H  
HETATM   42  H   UNL     1       4.451   3.303  -2.176  1.00  0.00           H  
HETATM   43  H   UNL     1       4.015   3.198  -0.453  1.00  0.00           H  
HETATM   44  H   UNL     1       5.277   1.211  -3.238  1.00  0.00           H  
HETATM   45  H   UNL     1       2.427   1.372  -0.978  1.00  0.00           H  
HETATM   46  H   UNL     1       2.872   1.402  -2.701  1.00  0.00           H  
HETATM   47  H   UNL     1       3.067  -2.192  -0.683  1.00  0.00           H  
HETATM   48  H   UNL     1       0.766  -1.238  -0.753  1.00  0.00           H  
HETATM   49  H   UNL     1       1.013  -2.227   2.124  1.00  0.00           H  
HETATM   50  H   UNL     1       1.607  -4.280   1.018  1.00  0.00           H  
HETATM   51  H   UNL     1       1.574  -3.525  -0.463  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.865  -3.030  -0.145  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.781  -3.803   1.456  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.384  -1.650   2.528  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.109  -3.190   1.723  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.634  -1.612   1.726  1.00  0.00           H  
HETATM   57  H   UNL     1       0.247   0.142   1.919  1.00  0.00           H  
HETATM   58  H   UNL     1       1.075   1.610   0.267  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.631  -0.661  -0.349  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.808   1.859  -0.233  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.651   3.414   0.288  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.933   3.950   2.523  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.184   2.472   2.665  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.401   1.369   2.429  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.196   2.938   2.147  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.442   1.040   1.089  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.863   2.220  -0.114  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.508  -0.415   0.622  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.587  -0.590  -0.777  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.532   0.370  -3.063  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.438   1.650  -1.830  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.970   1.143  -2.701  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.260  -1.081  -2.482  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.564  -2.712  -1.634  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.463  -1.835  -3.179  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.340  -3.174  -2.841  1.00  0.00           H  
CONECT    1    2   34                                                 
CONECT    2   11    3    1   35                                       
CONECT    3    6    2    4   36                                       
CONECT    4    3    5   37                                            
CONECT    5    4   38   39   40                                       
CONECT    6    8    9    7    3                                       
CONECT    7    6   41   42   43                                       
CONECT    8    6   44                                                 
CONECT    9   10    6   45   46                                       
CONECT   10    9   11                                                 
CONECT   11   10    2   12   47                                       
CONECT   12   11   13                                                 
CONECT   13   19   12   14   48                                       
CONECT   14   13   16   15   49                                       
CONECT   15   14   50   51                                            
CONECT   16   17   14   52   53                                       
CONECT   17   21   18   16   54                                       
CONECT   18   17   55   56                                            
CONECT   19   20   21   13   57                                       
CONECT   20   19   58                                                 
CONECT   21   22   19   17   59                                       
CONECT   22   23   21                                                 
CONECT   23   24   28   22   60                                       
CONECT   24   25   26   23   61                                       
CONECT   25   24   62   63                                            
CONECT   26   24   27   64   65                                       
CONECT   27   26   29   66   67                                       
CONECT   28   23   29                                                 
CONECT   29   27   28   30   68                                       
CONECT   30   31   29   32   69                                       
CONECT   31   30   70   71   72                                       
CONECT   32   30   33   73                                            
CONECT   33   32   74   75   76                                       
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   11                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   33                                                      
CONECT   76   33                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
