COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.749   2.809   1.038  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.960   2.780   0.214  1.00  0.00           N  
HETATM    3  C   UNL     1      -5.215   3.551  -0.865  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.048   1.970   0.399  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.927   2.270  -0.577  1.00  0.00           C  
HETATM    6  N   UNL     1      -6.390   3.236  -1.336  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.726   1.819   0.476  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.461   1.849   1.336  1.00  0.00           C  
HETATM    9  C   UNL     1       0.438   1.212  -0.122  1.00  0.00           C  
HETATM   10  N   UNL     1       1.214   0.163  -0.448  1.00  0.00           N  
HETATM   11  C   UNL     1       0.744  -0.976   0.360  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.398  -0.392   1.168  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.482   0.901   0.798  1.00  0.00           N  
HETATM   14  O   UNL     1       0.559   2.319  -0.610  1.00  0.00           O  
HETATM   15  O   UNL     1      -1.092  -0.968   1.978  1.00  0.00           O  
HETATM   16  C   UNL     1       2.313   0.154  -1.416  1.00  0.00           C  
HETATM   17  C   UNL     1       3.580   0.615  -0.743  1.00  0.00           C  
HETATM   18  C   UNL     1       3.850   1.963  -0.633  1.00  0.00           C  
HETATM   19  C   UNL     1       5.022   2.388  -0.005  1.00  0.00           C  
HETATM   20  C   UNL     1       5.919   1.444   0.499  1.00  0.00           C  
HETATM   21  C   UNL     1       5.639   0.099   0.377  1.00  0.00           C  
HETATM   22  C   UNL     1       4.473  -0.316  -0.242  1.00  0.00           C  
HETATM   23  C   UNL     1       5.306   3.787   0.118  1.00  0.00           C  
HETATM   24  N   UNL     1       5.531   4.896   0.215  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.100  -2.996  -2.720  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.646  -4.134  -2.210  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.760  -4.286  -0.818  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.300  -3.252   0.035  1.00  0.00           C  
HETATM   29  C   UNL     1       0.253  -2.090  -0.529  1.00  0.00           C  
HETATM   30  C   UNL     1       0.348  -1.977  -1.882  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.318  -5.447  -0.254  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.413  -5.559   1.099  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.965  -4.540   1.937  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.420  -3.402   1.427  1.00  0.00           C  
HETATM   35  C   UNL     1       1.856  -1.477   1.283  1.00  0.00           C  
HETATM   36  H   UNL     1      -3.999   2.531   2.062  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.326   3.813   1.027  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.552   4.299  -1.274  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.177   1.232   1.177  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.894   1.812  -0.722  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.477   2.096  -0.548  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.149   0.814   0.487  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.711   1.571   2.360  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.038   2.854   1.325  1.00  0.00           H  
HETATM   45  H   UNL     1       2.452  -0.857  -1.799  1.00  0.00           H  
HETATM   46  H   UNL     1       2.075   0.825  -2.242  1.00  0.00           H  
HETATM   47  H   UNL     1       3.152   2.688  -1.025  1.00  0.00           H  
HETATM   48  H   UNL     1       6.829   1.766   0.982  1.00  0.00           H  
HETATM   49  H   UNL     1       6.332  -0.633   0.766  1.00  0.00           H  
HETATM   50  H   UNL     1       4.259  -1.370  -0.334  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.014  -2.881  -3.791  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.989  -4.915  -2.872  1.00  0.00           H  
HETATM   53  H   UNL     1       0.777  -1.084  -2.313  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.670  -6.244  -0.891  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.842  -6.452   1.529  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.052  -4.654   3.007  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.077  -2.620   2.089  1.00  0.00           H  
HETATM   58  H   UNL     1       2.195  -0.660   1.920  1.00  0.00           H  
HETATM   59  H   UNL     1       1.474  -2.287   1.905  1.00  0.00           H  
HETATM   60  H   UNL     1       2.690  -1.841   0.684  1.00  0.00           H  
CONECT    1    2    7   36   37                                       
CONECT    2    1    3    4                                            
CONECT    3    2    6    6   38                                       
CONECT    4    2    5    5   39                                       
CONECT    5    4    4    6   40                                       
CONECT    6    3    3    5                                            
CONECT    7    1    8   41   42                                       
CONECT    8    7   13   43   44                                       
CONECT    9   10   13   14   14                                       
CONECT   10    9   11   16                                            
CONECT   11   10   12   29   35                                       
CONECT   12   11   13   15   15                                       
CONECT   13    8    9   12                                            
CONECT   14    9    9                                                 
CONECT   15   12   12                                                 
CONECT   16   10   17   45   46                                       
CONECT   17   16   18   22   22                                       
CONECT   18   17   19   19   47                                       
CONECT   19   18   18   20   23                                       
CONECT   20   19   21   21   48                                       
CONECT   21   20   20   22   49                                       
CONECT   22   17   17   21   50                                       
CONECT   23   19   24   24   24                                       
CONECT   24   23   23   23                                            
CONECT   25   26   30   30   51                                       
CONECT   26   25   27   27   52                                       
CONECT   27   26   26   28   31                                       
CONECT   28   27   29   29   34                                       
CONECT   29   11   28   28   30                                       
CONECT   30   25   25   29   53                                       
CONECT   31   27   32   32   54                                       
CONECT   32   31   31   33   55                                       
CONECT   33   32   34   34   56                                       
CONECT   34   28   33   33   57                                       
CONECT   35   11   58   59   60                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   18                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   32                                                      
CONECT   56   33                                                      
CONECT   57   34                                                      
CONECT   58   35                                                      
CONECT   59   35                                                      
CONECT   60   35                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
