COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.095   5.356  -2.615  1.00  0.00           O  
HETATM    2  C   UNL     1       3.177   4.547  -2.555  1.00  0.00           C  
HETATM    3  N   UNL     1       1.855   4.789  -2.953  1.00  0.00           N  
HETATM    4  C   UNL     1       0.796   3.853  -2.882  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.418   4.305  -3.328  1.00  0.00           N  
HETATM    6  N   UNL     1       0.959   2.632  -2.421  1.00  0.00           N  
HETATM    7  C   UNL     1       2.228   2.379  -2.031  1.00  0.00           C  
HETATM    8  C   UNL     1       3.323   3.208  -2.056  1.00  0.00           C  
HETATM    9  N   UNL     1       4.442   2.594  -1.577  1.00  0.00           N  
HETATM   10  C   UNL     1       4.028   1.384  -1.257  1.00  0.00           C  
HETATM   11  N   UNL     1       2.691   1.205  -1.513  1.00  0.00           N  
HETATM   12  C   UNL     1       1.925  -0.020  -1.272  1.00  0.00           C  
HETATM   13  O   UNL     1       2.437  -0.683  -0.102  1.00  0.00           O  
HETATM   14  C   UNL     1       1.979  -1.014  -2.435  1.00  0.00           C  
HETATM   15  O   UNL     1       0.659  -1.457  -2.742  1.00  0.00           O  
HETATM   16  C   UNL     1       2.802  -2.170  -1.897  1.00  0.00           C  
HETATM   17  O   UNL     1       4.176  -1.951  -2.189  1.00  0.00           O  
HETATM   18  C   UNL     1       2.552  -2.085  -0.396  1.00  0.00           C  
HETATM   19  C   UNL     1       3.631  -2.694   0.480  1.00  0.00           C  
HETATM   20  O   UNL     1       3.751  -4.073   0.174  1.00  0.00           O  
HETATM   21  P   UNL     1       4.843  -4.951   0.981  1.00  0.00           P  
HETATM   22  O   UNL     1       4.925  -6.404   0.615  1.00  0.00           O  
HETATM   23  O   UNL     1       4.521  -4.656   2.539  1.00  0.00           O  
HETATM   24  O   UNL     1       6.191  -4.100   0.710  1.00  0.00           O  
HETATM   25  P   UNL     1       7.689  -4.269   1.293  1.00  0.00           P  
HETATM   26  O   UNL     1       7.784  -4.156   2.787  1.00  0.00           O  
HETATM   27  O   UNL     1       8.158  -5.700   0.700  1.00  0.00           O  
HETATM   28  O   UNL     1       8.569  -3.186   0.474  1.00  0.00           O  
HETATM   29  C   UNL     1       8.560  -3.192  -0.943  1.00  0.00           C  
HETATM   30  C   UNL     1       9.466  -2.077  -1.450  1.00  0.00           C  
HETATM   31  O   UNL     1       9.398  -2.069  -2.893  1.00  0.00           O  
HETATM   32  C   UNL     1       8.756  -0.859  -3.323  1.00  0.00           C  
HETATM   33  C   UNL     1       8.073  -0.285  -2.101  1.00  0.00           C  
HETATM   34  O   UNL     1       7.892   1.111  -2.181  1.00  0.00           O  
HETATM   35  C   UNL     1       9.022  -0.692  -0.995  1.00  0.00           C  
HETATM   36  O   UNL     1      10.167   0.159  -0.989  1.00  0.00           O  
HETATM   37  H   UNL     1       1.639   5.710  -3.323  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.972   3.697  -3.886  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.699   5.225  -3.077  1.00  0.00           H  
HETATM   40  H   UNL     1       4.643   0.599  -0.838  1.00  0.00           H  
HETATM   41  H   UNL     1       0.906   0.319  -1.058  1.00  0.00           H  
HETATM   42  H   UNL     1       2.398  -0.576  -3.347  1.00  0.00           H  
HETATM   43  H   UNL     1       0.342  -0.897  -3.468  1.00  0.00           H  
HETATM   44  H   UNL     1       2.516  -3.145  -2.302  1.00  0.00           H  
HETATM   45  H   UNL     1       4.225  -1.696  -3.124  1.00  0.00           H  
HETATM   46  H   UNL     1       1.586  -2.542  -0.150  1.00  0.00           H  
HETATM   47  H   UNL     1       3.371  -2.589   1.538  1.00  0.00           H  
HETATM   48  H   UNL     1       4.594  -2.208   0.298  1.00  0.00           H  
HETATM   49  H   UNL     1       5.038  -5.125   3.228  1.00  0.00           H  
HETATM   50  H   UNL     1       8.994  -6.097   1.025  1.00  0.00           H  
HETATM   51  H   UNL     1       8.917  -4.165  -1.294  1.00  0.00           H  
HETATM   52  H   UNL     1       7.534  -3.040  -1.291  1.00  0.00           H  
HETATM   53  H   UNL     1      10.501  -2.294  -1.167  1.00  0.00           H  
HETATM   54  H   UNL     1       8.047  -1.086  -4.126  1.00  0.00           H  
HETATM   55  H   UNL     1       9.516  -0.184  -3.730  1.00  0.00           H  
HETATM   56  H   UNL     1       7.098  -0.765  -1.956  1.00  0.00           H  
HETATM   57  H   UNL     1       8.162   1.489  -1.324  1.00  0.00           H  
HETATM   58  H   UNL     1       8.579  -0.663   0.004  1.00  0.00           H  
HETATM   59  H   UNL     1      10.509   0.153  -0.082  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    8    3                                       
CONECT    3    2    4   37                                            
CONECT    4    3    6    6    5                                       
CONECT    5    4   38   39                                            
CONECT    6    4    4    7                                            
CONECT    7    6   11    8    8                                       
CONECT    8    2    7    7    9                                       
CONECT    9    8   10   10                                            
CONECT   10    9    9   11   40                                       
CONECT   11    7   10   12                                            
CONECT   12   11   13   14   41                                       
CONECT   13   12   18                                                 
CONECT   14   12   16   15   42                                       
CONECT   15   14   43                                                 
CONECT   16   14   17   18   44                                       
CONECT   17   16   45                                                 
CONECT   18   13   16   19   46                                       
CONECT   19   18   20   47   48                                       
CONECT   20   19   21                                                 
CONECT   21   20   24   22   22                                       
CONECT   21   23                                                      
CONECT   22   21   21                                                 
CONECT   23   21   49                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26   26   28                                       
CONECT   25   27                                                      
CONECT   26   25   25                                                 
CONECT   27   25   50                                                 
CONECT   28   25   29                                                 
CONECT   29   28   30   51   52                                       
CONECT   30   29   35   31   53                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   54   55                                       
CONECT   33   32   34   35   56                                       
CONECT   34   33   57                                                 
CONECT   35   30   33   36   58                                       
CONECT   36   35   59                                                 
CONECT   37    3                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   23                                                      
CONECT   50   27                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   32                                                      
CONECT   55   32                                                      
CONECT   56   33                                                      
CONECT   57   34                                                      
CONECT   58   35                                                      
CONECT   59   36                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
