COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.877  -4.160  -1.008  1.00  0.00           C  
HETATM    2  C   UNL     1       8.576  -3.726   1.148  1.00  0.00           C  
HETATM    3  C   UNL     1       6.981  -2.323   0.271  1.00  0.00           C  
HETATM    4  C   UNL     1       7.007  -3.059  -0.925  1.00  0.00           C  
HETATM    5  C   UNL     1       5.563  -1.462  -1.181  1.00  0.00           C  
HETATM    6  C   UNL     1       5.685  -0.294   1.052  1.00  0.00           C  
HETATM    7  C   UNL     1       4.317   1.547   1.373  1.00  0.00           C  
HETATM    8  C   UNL     1       3.499   2.510   0.511  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.282  -0.592  -0.075  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.909  -1.726   0.696  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.361  -1.906   0.247  1.00  0.00           C  
HETATM   12  CA  UNL     1      -8.997  -3.056   1.030  1.00  0.00           C  
HETATM   13  C   UNL     1     -10.386  -3.314   0.503  1.00  0.00           C  
HETATM   14  C   UNL     1       5.760   2.068   1.521  1.00  0.00           C  
HETATM   15  C   UNL     1       6.636   0.926   0.952  1.00  0.00           C  
HETATM   16  N   UNL     1       7.946  -4.923  -2.161  1.00  0.00           N  
HETATM   17  N   UNL     1       8.635  -4.448   0.044  1.00  0.00           N  
HETATM   18  N   UNL     1       7.773  -2.691   1.273  1.00  0.00           N  
HETATM   19  N   UNL     1       6.119  -2.481  -1.769  1.00  0.00           N  
HETATM   20  N   UNL     1       6.062  -1.323   0.080  1.00  0.00           N  
HETATM   21  N   UNL     1      -9.071  -2.699   2.453  1.00  0.00           N  
HETATM   22  O   UNL     1       4.391   0.261   0.734  1.00  0.00           O  
HETATM   23  O   UNL     1       2.140   2.071   0.464  1.00  0.00           O  
HETATM   24  O   UNL     1       0.946   4.262   0.084  1.00  0.00           O  
HETATM   25  O   UNL     1       1.326   2.789  -1.930  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.431   2.152  -0.081  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.384   3.691   0.773  1.00  0.00           O  
HETATM   28  O   UNL     1      -2.091   3.178  -1.681  1.00  0.00           O  
HETATM   29  O   UNL     1      -2.918   1.308  -0.202  1.00  0.00           O  
HETATM   30  O   UNL     1      -5.269   2.161  -0.540  1.00  0.00           O  
HETATM   31  O   UNL     1      -4.364   0.556  -2.265  1.00  0.00           O  
HETATM   32  O   UNL     1      -5.004  -0.252   0.154  1.00  0.00           O  
HETATM   33  O   UNL     1      -6.930   0.010  -0.898  1.00  0.00           O  
HETATM   34  OXT UNL     1     -10.556  -4.028  -0.621  1.00  0.00           O  
HETATM   35  O   UNL     1     -11.346  -2.878   1.093  1.00  0.00           O  
HETATM   36  O   UNL     1       6.069   2.298   2.898  1.00  0.00           O  
HETATM   37  O   UNL     1       6.992   1.185  -0.407  1.00  0.00           O  
HETATM   38  P   UNL     1       0.994   2.850  -0.356  1.00  0.00           P  
HETATM   39  P   UNL     1      -1.959   2.595  -0.328  1.00  0.00           P  
HETATM   40  P   UNL     1      -4.408   0.970  -0.710  1.00  0.00           P  
HETATM   41  H   UNL     1       9.210  -3.995   1.980  1.00  0.00           H  
HETATM   42  H   UNL     1       4.817  -0.821  -1.627  1.00  0.00           H  
HETATM   43  H   UNL     1       5.690  -0.702   2.063  1.00  0.00           H  
HETATM   44  H   UNL     1       3.856   1.447   2.356  1.00  0.00           H  
HETATM   45  H   UNL     1       3.543   3.510   0.942  1.00  0.00           H  
HETATM   46  H   UNL     1       3.909   2.532  -0.499  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.354  -2.644   0.507  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.884  -1.498   1.762  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.916  -0.987   0.437  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.386  -2.133  -0.818  1.00  0.00           H  
HETATM   51  HA  UNL     1      -8.392  -3.955   0.911  1.00  0.00           H  
HETATM   52  H   UNL     1       5.897   2.981   0.943  1.00  0.00           H  
HETATM   53  H   UNL     1       7.526   0.776   1.564  1.00  0.00           H  
HETATM   54  H   UNL     1       7.390  -4.700  -2.924  1.00  0.00           H  
HETATM   55  H   UNL     1       8.550  -5.680  -2.206  1.00  0.00           H  
HETATM   56  H1  UNL     1      -9.628  -1.869   2.588  1.00  0.00           H  
HETATM   57  H2  UNL     1      -9.429  -3.468   3.000  1.00  0.00           H  
HETATM   58  H   UNL     1       1.373   1.893  -2.288  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.322   3.377   1.685  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.816  -0.219  -2.451  1.00  0.00           H  
HETATM   61  HXT UNL     1     -11.465  -4.167  -0.919  1.00  0.00           H  
HETATM   62  H   UNL     1       6.966   2.627   3.049  1.00  0.00           H  
HETATM   63  H   UNL     1       7.513   1.990  -0.530  1.00  0.00           H  
CONECT    1   17   16    4    4                                       
CONECT    2   17   17   18   41                                       
CONECT    3   18   18    4   20                                       
CONECT    4    1    1    3   19                                       
CONECT    5   20   19   19   42                                       
CONECT    6   22   15   20   43                                       
CONECT    7    8   14   22   44                                       
CONECT    8   23    7   45   46                                       
CONECT    9   33   33   10   32                                       
CONECT   10   11    9   47   48                                       
CONECT   11   12   10   49   50                                       
CONECT   12   11   21   13   51                                       
CONECT   13   12   35   35   34                                       
CONECT   14   36    7   15   52                                       
CONECT   15   14   37    6   53                                       
CONECT   16    1   54   55                                            
CONECT   17    2    2    1                                            
CONECT   18    2    3    3                                            
CONECT   19    4    5    5                                            
CONECT   20    3    6    5                                            
CONECT   21   12   56   57                                            
CONECT   22    7    6                                                 
CONECT   23    8   38                                                 
CONECT   24   38   38                                                 
CONECT   25   38   58                                                 
CONECT   26   39   38                                                 
CONECT   27   39   59                                                 
CONECT   28   39   39                                                 
CONECT   29   40   39                                                 
CONECT   30   40   40                                                 
CONECT   31   40   60                                                 
CONECT   32   40    9                                                 
CONECT   33    9    9                                                 
CONECT   34   13   61                                                 
CONECT   35   13   13                                                 
CONECT   36   14   62                                                 
CONECT   37   15   63                                                 
CONECT   38   26   23   24   24                                       
CONECT   38   25                                                      
CONECT   39   28   28   27   26                                       
CONECT   39   29                                                      
CONECT   40   30   30   31   29                                       
CONECT   40   32                                                      
CONECT   41    2                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   25                                                      
CONECT   59   27                                                      
CONECT   60   31                                                      
CONECT   61   34                                                      
CONECT   62   36                                                      
CONECT   63   37                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
