COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -2.691   1.039   0.118  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.227   0.342  -1.231  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.499  -0.348   0.100  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.253  -0.935   0.424  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.815  -0.654  -0.577  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.182  -3.019   0.049  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.571  -1.206  -0.251  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.978   0.714  -0.557  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.980   3.708   0.187  1.00  0.00           C  
HETATM   10  O   UNL     1      -6.182   1.252  -0.881  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.914   1.556  -0.204  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.102   2.902  -0.181  1.00  0.00           O  
HETATM   13  N   UNL     1      -3.359  -2.531  -0.261  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.992  -4.514   0.023  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.152  -2.257   0.382  1.00  0.00           N  
HETATM   16  N   UNL     1      -0.171  -0.153   0.773  1.00  0.00           N  
HETATM   17  C   UNL     1       1.110  -0.781   1.105  1.00  0.00           C  
HETATM   18  C   UNL     1       1.113  -1.186   2.580  1.00  0.00           C  
HETATM   19  C   UNL     1       2.230   0.195   0.850  1.00  0.00           C  
HETATM   20  C   UNL     1       3.411  -0.243   0.286  1.00  0.00           C  
HETATM   21  C   UNL     1       2.069   1.529   1.175  1.00  0.00           C  
HETATM   22  C   UNL     1       3.092   2.431   0.943  1.00  0.00           C  
HETATM   23  C   UNL     1       4.280   2.002   0.386  1.00  0.00           C  
HETATM   24  C   UNL     1       4.445   0.660   0.051  1.00  0.00           C  
HETATM   25  C   UNL     1       5.718   0.194  -0.555  1.00  0.00           C  
HETATM   26  C   UNL     1       6.022  -1.125  -0.942  1.00  0.00           C  
HETATM   27  C   UNL     1       6.804   0.968  -0.843  1.00  0.00           C  
HETATM   28  N   UNL     1       7.745   0.166  -1.380  1.00  0.00           N  
HETATM   29  N   UNL     1       7.233  -1.136  -1.431  1.00  0.00           N  
HETATM   30  H   UNL     1      -1.878   1.696   0.389  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.923  -0.242  -2.100  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.422  -0.327  -0.393  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.132   0.902  -1.468  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.640  -1.295  -0.850  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.264   4.760   0.165  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.655   3.440   1.192  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.164   3.537  -0.516  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.666  -4.822  -0.970  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.239  -4.797   0.758  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.936  -5.004   0.263  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.259   0.812   0.799  1.00  0.00           H  
HETATM   42  H   UNL     1       1.252  -1.667   0.485  1.00  0.00           H  
HETATM   43  H   UNL     1       0.971  -0.301   3.200  1.00  0.00           H  
HETATM   44  H   UNL     1       0.303  -1.892   2.765  1.00  0.00           H  
HETATM   45  H   UNL     1       2.066  -1.653   2.827  1.00  0.00           H  
HETATM   46  H   UNL     1       3.534  -1.285   0.029  1.00  0.00           H  
HETATM   47  H   UNL     1       1.141   1.869   1.612  1.00  0.00           H  
HETATM   48  H   UNL     1       2.961   3.472   1.199  1.00  0.00           H  
HETATM   49  H   UNL     1       5.078   2.707   0.205  1.00  0.00           H  
HETATM   50  H   UNL     1       5.367  -1.980  -0.849  1.00  0.00           H  
HETATM   51  H   UNL     1       6.893   2.031  -0.672  1.00  0.00           H  
HETATM   52  H   UNL     1       8.624   0.444  -1.682  1.00  0.00           H  
CONECT    1    3    3   11   30                                       
CONECT    2   10   31   32   33                                       
CONECT    3    4    1    1    7                                       
CONECT    4   16   15   15    3                                       
CONECT    5    7    7    8   34                                       
CONECT    6   15   14   13   13                                       
CONECT    7    3   13    5    5                                       
CONECT    8   11   11    5   10                                       
CONECT    9   12   35   36   37                                       
CONECT   10    8    2                                                 
CONECT   11    1   12    8    8                                       
CONECT   12    9   11                                                 
CONECT   13    6    6    7                                            
CONECT   14    6   38   39   40                                       
CONECT   15    4    4    6                                            
CONECT   16   17    4   41                                            
CONECT   17   18   19   16   42                                       
CONECT   18   17   43   44   45                                       
CONECT   19   17   21   21   20                                       
CONECT   20   19   24   24   46                                       
CONECT   21   19   19   22   47                                       
CONECT   22   21   23   23   48                                       
CONECT   23   22   22   24   49                                       
CONECT   24   20   20   23   25                                       
CONECT   25   24   27   27   26                                       
CONECT   26   25   29   29   50                                       
CONECT   27   25   25   28   51                                       
CONECT   28   27   29   52                                            
CONECT   29   28   26   26                                            
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    5                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
