COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.880  -1.747   3.574  1.00  0.00           C  
HETATM    2  O   UNL     1       3.595  -2.059   0.994  1.00  0.00           O  
HETATM    3  O   UNL     1      -0.901  -0.962  -1.870  1.00  0.00           O  
HETATM    4  O   UNL     1       8.018  -0.130  -0.236  1.00  0.00           O  
HETATM    5  O   UNL     1       7.226   1.328   1.666  1.00  0.00           O  
HETATM    6  O   UNL     1       9.162   2.101   0.063  1.00  0.00           O  
HETATM    7  C   UNL     1       5.370   0.247  -1.861  1.00  0.00           C  
HETATM    8  C   UNL     1       4.490   1.543  -0.041  1.00  0.00           C  
HETATM    9  C   UNL     1       4.181  -0.452  -1.936  1.00  0.00           C  
HETATM   10  C   UNL     1       3.298   0.849  -0.127  1.00  0.00           C  
HETATM   11  N   UNL     1       1.954  -1.690   2.441  1.00  0.00           N  
HETATM   12  O   UNL     1       6.697   1.935  -0.836  1.00  0.00           O  
HETATM   13  C   UNL     1       2.414  -1.859   1.185  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.695  -0.571  -0.740  1.00  0.00           C  
HETATM   15  C   UNL     1       5.528   1.247  -0.912  1.00  0.00           C  
HETATM   16  C   UNL     1       3.146  -0.151  -1.069  1.00  0.00           C  
HETATM   17  C   UNL     1       1.462  -1.801   0.019  1.00  0.00           C  
HETATM   18  C   UNL     1       0.716  -0.486  -0.218  1.00  0.00           C  
HETATM   19  C   UNL     1       1.845  -0.906  -1.162  1.00  0.00           C  
HETATM   20  P   UNL     1       7.781   1.278   0.156  1.00  0.00           P  
HETATM   21  N   UNL     1      -1.728  -0.213   0.048  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.100  -0.296  -0.460  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.973   0.676   0.291  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.496   1.370   1.164  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.632  -1.717  -0.262  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.823  -2.689  -1.123  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.347  -4.088  -0.928  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.276  -4.289  -0.175  1.00  0.00           O  
HETATM   29  N   UNL     1      -2.783  -5.117  -1.591  1.00  0.00           N  
HETATM   30  N   UNL     1      -5.284   0.775  -0.007  1.00  0.00           N  
HETATM   31  C   UNL     1      -6.132   1.720   0.723  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.619   1.078   1.996  1.00  0.00           C  
HETATM   33  O   UNL     1      -6.289  -0.057   2.267  1.00  0.00           O  
HETATM   34  C   UNL     1      -7.332   2.104  -0.146  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.852   2.855  -1.361  1.00  0.00           C  
HETATM   36  O   UNL     1      -5.668   3.063  -1.518  1.00  0.00           O  
HETATM   37  N   UNL     1      -7.740   3.296  -2.275  1.00  0.00           N  
HETATM   38  N   UNL     1      -7.420   1.765   2.834  1.00  0.00           N  
HETATM   39  H   UNL     1       2.330  -1.589   4.502  1.00  0.00           H  
HETATM   40  H   UNL     1       3.363  -2.724   3.600  1.00  0.00           H  
HETATM   41  H   UNL     1       7.048   2.221   1.990  1.00  0.00           H  
HETATM   42  H   UNL     1       9.862   1.759   0.636  1.00  0.00           H  
HETATM   43  H   UNL     1       6.178   0.012  -2.538  1.00  0.00           H  
HETATM   44  H   UNL     1       4.608   2.323   0.696  1.00  0.00           H  
HETATM   45  H   UNL     1       4.059  -1.233  -2.671  1.00  0.00           H  
HETATM   46  H   UNL     1       2.490   1.078   0.552  1.00  0.00           H  
HETATM   47  H   UNL     1       0.932  -2.727  -0.202  1.00  0.00           H  
HETATM   48  H   UNL     1       0.914   0.336   0.469  1.00  0.00           H  
HETATM   49  H   UNL     1       1.567  -1.244  -2.160  1.00  0.00           H  
HETATM   50  H   UNL     1       3.637  -0.971   3.465  1.00  0.00           H  
HETATM   51  H   UNL     1       1.010  -1.531   2.594  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.563   0.099   0.951  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.110  -0.049  -1.521  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.539  -1.997   0.787  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.681  -1.757  -0.557  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.915  -2.409  -2.172  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.774  -2.649  -0.827  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.039  -4.957  -2.193  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.120  -6.018  -1.466  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.665   0.220  -0.706  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.557   2.614   0.963  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.857   1.202  -0.460  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.009   2.736   0.429  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.688   3.129  -2.150  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.432   3.779  -3.057  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.684   2.673   2.617  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.734   1.352   3.653  1.00  0.00           H  
CONECT    1   39   40   11   50                                       
CONECT    2   13   13                                                 
CONECT    3   14   14                                                 
CONECT    4   20   20                                                 
CONECT    5   20   41                                                 
CONECT    6   42   20                                                 
CONECT    7    9   43   15   15                                       
CONECT    8   10   10   15   44                                       
CONECT    9    7   45   16   16                                       
CONECT   10    8    8   16   46                                       
CONECT   11    1   13   51                                            
CONECT   12   15   20                                                 
CONECT   13   11    2    2   17                                       
CONECT   14    3    3   18   21                                       
CONECT   15    8   12    7    7                                       
CONECT   16   10    9    9   19                                       
CONECT   17   13   18   47   19                                       
CONECT   18   17   14   48   19                                       
CONECT   19   16   17   18   49                                       
CONECT   20    4    4    5   12                                       
CONECT   20    6                                                      
CONECT   21   22   52   14                                            
CONECT   22   21   23   25   53                                       
CONECT   23   22   24   24   30                                       
CONECT   24   23   23                                                 
CONECT   25   22   26   54   55                                       
CONECT   26   25   27   56   57                                       
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   58   59                                            
CONECT   30   31   60   23                                            
CONECT   31   30   32   34   61                                       
CONECT   32   31   33   33   38                                       
CONECT   33   32   32                                                 
CONECT   34   31   35   62   63                                       
CONECT   35   34   36   36   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   64   65                                            
CONECT   38   66   67   32                                            
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50    1                                                      
CONECT   51   11                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
CONECT   60   30                                                      
CONECT   61   31                                                      
CONECT   62   34                                                      
CONECT   63   34                                                      
CONECT   64   37                                                      
CONECT   65   37                                                      
CONECT   66   38                                                      
CONECT   67   38                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
