COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.149   0.831  -1.201  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.021   0.625  -0.237  1.00  0.00           C  
HETATM    3  N   UNL     1       1.361   1.157  -0.437  1.00  0.00           N  
HETATM    4  N   UNL     1      -2.230   0.300  -1.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.392   0.076  -0.356  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.635  -0.258  -1.140  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.438   0.143   0.854  1.00  0.00           O  
HETATM    8  C   UNL     1      -5.806  -0.464  -0.177  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.068  -0.803  -0.973  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.504  -1.537   0.718  1.00  0.00           O  
HETATM   11  C   UNL     1      -6.035   0.799   0.613  1.00  0.00           C  
HETATM   12  O   UNL     1      -6.335   1.943  -0.023  1.00  0.00           O  
HETATM   13  O   UNL     1      -5.948   0.782   1.818  1.00  0.00           O  
HETATM   14  C   UNL     1      -8.246  -0.885  -0.036  1.00  0.00           C  
HETATM   15  O   UNL     1      -8.092  -0.692   1.146  1.00  0.00           O  
HETATM   16  O   UNL     1      -9.466  -1.173  -0.516  1.00  0.00           O  
HETATM   17  P   UNL     1       5.289  -3.185   0.077  1.00  0.00           P  
HETATM   18  O   UNL     1       6.636  -3.776   0.732  1.00  0.00           O  
HETATM   19  O   UNL     1       5.231  -3.560  -1.354  1.00  0.00           O  
HETATM   20  O   UNL     1       4.009  -3.791   0.843  1.00  0.00           O  
HETATM   21  O   UNL     1       5.286  -1.581   0.212  1.00  0.00           O  
HETATM   22  C   UNL     1       4.275  -0.753  -0.365  1.00  0.00           C  
HETATM   23  C   UNL     1       4.569   0.692  -0.053  1.00  0.00           C  
HETATM   24  C   UNL     1       5.684   1.033   0.690  1.00  0.00           C  
HETATM   25  N   UNL     1       5.951   2.294   0.968  1.00  0.00           N  
HETATM   26  C   UNL     1       5.175   3.276   0.554  1.00  0.00           C  
HETATM   27  C   UNL     1       4.039   3.012  -0.196  1.00  0.00           C  
HETATM   28  C   UNL     1       3.730   1.693  -0.513  1.00  0.00           C  
HETATM   29  C   UNL     1       2.508   1.362  -1.331  1.00  0.00           C  
HETATM   30  O   UNL     1       3.241   4.028  -0.620  1.00  0.00           O  
HETATM   31  C   UNL     1       5.526   4.700   0.900  1.00  0.00           C  
HETATM   32  H   UNL     1       0.315  -0.083  -1.772  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.081   1.649  -1.883  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.791  -0.193   0.445  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.187   1.539   0.334  1.00  0.00           H  
HETATM   36  H   UNL     1       1.212   1.964   0.151  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.193   0.247  -1.967  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.865   0.560  -1.822  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.470  -1.172  -1.711  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.248  -0.027  -1.716  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.935  -1.762  -1.474  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.345  -2.383   0.277  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.473   2.727   0.526  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.190  -1.214   0.123  1.00  0.00           H  
HETATM   45  H   UNL     1       6.705  -4.740   0.686  1.00  0.00           H  
HETATM   46  H   UNL     1       3.982  -3.584   1.787  1.00  0.00           H  
HETATM   47  H   UNL     1       4.261  -0.896  -1.446  1.00  0.00           H  
HETATM   48  H   UNL     1       3.303  -1.023   0.049  1.00  0.00           H  
HETATM   49  H   UNL     1       6.344   0.257   1.048  1.00  0.00           H  
HETATM   50  H   UNL     1       2.690   0.452  -1.903  1.00  0.00           H  
HETATM   51  H   UNL     1       2.294   2.184  -2.014  1.00  0.00           H  
HETATM   52  H   UNL     1       3.486   4.386  -1.485  1.00  0.00           H  
HETATM   53  H   UNL     1       6.164   5.117   0.121  1.00  0.00           H  
HETATM   54  H   UNL     1       4.613   5.291   0.977  1.00  0.00           H  
HETATM   55  H   UNL     1       6.055   4.723   1.853  1.00  0.00           H  
CONECT    1    2    3   32   33                                       
CONECT    2    4    1   34   35                                       
CONECT    3    1   29   36                                            
CONECT    4    5    2   37                                            
CONECT    5    6    4    7    7                                       
CONECT    6    8    5   38   39                                       
CONECT    7    5    5                                                 
CONECT    8    9   10    6   11                                       
CONECT    9   14    8   40   41                                       
CONECT   10    8   42                                                 
CONECT   11    8   13   13   12                                       
CONECT   12   11   43                                                 
CONECT   13   11   11                                                 
CONECT   14   15   15   16    9                                       
CONECT   15   14   14                                                 
CONECT   16   14   44                                                 
CONECT   17   19   19   18   21                                       
CONECT   17   20                                                      
CONECT   18   17   45                                                 
CONECT   19   17   17                                                 
CONECT   20   17   46                                                 
CONECT   21   22   17                                                 
CONECT   22   21   23   47   48                                       
CONECT   23   22   28   28   24                                       
CONECT   24   23   25   25   49                                       
CONECT   25   24   24   26                                            
CONECT   26   27   27   25   31                                       
CONECT   27   28   30   26   26                                       
CONECT   28   29   23   23   27                                       
CONECT   29    3   28   50   51                                       
CONECT   30   27   52                                                 
CONECT   31   26   53   54   55                                       
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   12                                                      
CONECT   44   16                                                      
CONECT   45   18                                                      
CONECT   46   20                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   24                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
