COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.023  -0.779   0.071  1.00  0.00           N  
HETATM    2  O   UNL     1      -4.059  -3.975  -2.009  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.350  -0.791   0.077  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.007  -2.010   0.115  1.00  0.00           N  
HETATM    5  N   UNL     1      -4.067   0.320   0.048  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.471   1.508   0.012  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.068   1.570   0.004  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.347   0.364   0.036  1.00  0.00           C  
HETATM    9  N   UNL     1       0.036   0.367   0.030  1.00  0.00           N  
HETATM   10  N   UNL     1      -1.726   2.882  -0.036  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.804   3.610  -0.052  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.304   3.254  -0.032  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.908   2.808  -0.024  1.00  0.00           N  
HETATM   14  C   UNL     1       2.253  -0.621   0.050  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.565   4.132   1.193  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.575   4.060  -1.304  1.00  0.00           C  
HETATM   17  CA  UNL     1      -3.238  -3.257   0.148  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.081  -4.359   0.793  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.344  -4.007   2.259  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.869  -3.666  -1.280  1.00  0.00           C  
HETATM   21  C   UNL     1       6.434   0.148   0.012  1.00  0.00           C  
HETATM   22  N   UNL     1       7.085   0.303   1.157  1.00  0.00           N  
HETATM   23  C   UNL     1       2.934  -0.459   1.243  1.00  0.00           C  
HETATM   24  C   UNL     1       7.111   0.229  -1.204  1.00  0.00           C  
HETATM   25  C   UNL     1       4.292  -0.210   1.236  1.00  0.00           C  
HETATM   26  C   UNL     1       8.473   0.474  -1.200  1.00  0.00           C  
HETATM   27  C   UNL     1       4.975  -0.121   0.025  1.00  0.00           C  
HETATM   28  C   UNL     1       9.115   0.630   0.021  1.00  0.00           C  
HETATM   29  C   UNL     1       4.283  -0.285  -1.173  1.00  0.00           C  
HETATM   30  C   UNL     1       8.381   0.537   1.189  1.00  0.00           C  
HETATM   31  C   UNL     1       2.926  -0.534  -1.155  1.00  0.00           C  
HETATM   32  C   UNL     1       0.771  -0.900   0.064  1.00  0.00           C  
HETATM   33  H   UNL     1      -3.900  -4.243  -2.924  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.977  -2.038   0.120  1.00  0.00           H  
HETATM   35  H   UNL     1       0.519   1.208   0.004  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.823   4.689  -0.083  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.963   2.386  -0.004  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.372   3.558   2.099  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.906   5.000   1.166  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.604   4.464   1.188  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.388   3.434  -2.177  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.613   4.391  -1.310  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.916   4.928  -1.332  1.00  0.00           H  
HETATM   44  HA  UNL     1      -2.329  -3.107   0.729  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.029  -4.448   0.264  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.544  -5.306   0.738  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.944  -4.793   2.718  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.395  -3.918   2.787  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.881  -3.060   2.314  1.00  0.00           H  
HETATM   50  H1  UNL     1      -2.223  -4.543  -1.250  1.00  0.00           H  
HETATM   51  H2  UNL     1      -2.346  -2.845  -1.769  1.00  0.00           H  
HETATM   52  H   UNL     1       2.403  -0.528   2.181  1.00  0.00           H  
HETATM   53  H   UNL     1       6.580   0.102  -2.135  1.00  0.00           H  
HETATM   54  H   UNL     1       4.823  -0.083   2.168  1.00  0.00           H  
HETATM   55  H   UNL     1       9.024   0.543  -2.126  1.00  0.00           H  
HETATM   56  H   UNL     1      10.177   0.822   0.058  1.00  0.00           H  
HETATM   57  H   UNL     1       4.808  -0.217  -2.115  1.00  0.00           H  
HETATM   58  H   UNL     1       8.878   0.658   2.141  1.00  0.00           H  
HETATM   59  H   UNL     1       2.389  -0.661  -2.083  1.00  0.00           H  
HETATM   60  H   UNL     1       0.513  -1.446   0.971  1.00  0.00           H  
HETATM   61  H   UNL     1       0.506  -1.497  -0.808  1.00  0.00           H  
CONECT    1    3    3    8                                            
CONECT    2   20   33                                                 
CONECT    3    1    1    4    5                                       
CONECT    4    3   17   34                                            
CONECT    5    3    6    6                                            
CONECT    6    5    5    7   13                                       
CONECT    7    6    8    8   10                                       
CONECT    8    1    7    7    9                                       
CONECT    9    8   32   35                                            
CONECT   10    7   11   11                                            
CONECT   11   10   10   13   36                                       
CONECT   12   13   15   16   37                                       
CONECT   13    6   11   12                                            
CONECT   14   23   23   31   32                                       
CONECT   15   12   38   39   40                                       
CONECT   16   12   41   42   43                                       
CONECT   17    4   18   20   44                                       
CONECT   18   17   19   45   46                                       
CONECT   19   18   47   48   49                                       
CONECT   20    2   17   50   51                                       
CONECT   21   22   22   24   27                                       
CONECT   22   21   21   30                                            
CONECT   23   14   14   25   52                                       
CONECT   24   21   26   26   53                                       
CONECT   25   23   27   27   54                                       
CONECT   26   24   24   28   55                                       
CONECT   27   21   25   25   29                                       
CONECT   28   26   30   30   56                                       
CONECT   29   27   31   31   57                                       
CONECT   30   22   28   28   58                                       
CONECT   31   14   29   29   59                                       
CONECT   32    9   14   60   61                                       
CONECT   33    2                                                      
CONECT   34    4                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
