COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      12.218   2.172   0.257  1.00  0.00           O  
HETATM    2  C   UNL     1      11.756   2.328  -0.854  1.00  0.00           C  
HETATM    3  C   UNL     1      12.610   2.911  -1.950  1.00  0.00           C  
HETATM    4  C   UNL     1      14.003   3.224  -1.400  1.00  0.00           C  
HETATM    5  N   UNL     1      10.481   1.974  -1.109  1.00  0.00           N  
HETATM    6  C   UNL     1       9.653   1.401  -0.045  1.00  0.00           C  
HETATM    7  C   UNL     1       8.259   1.089  -0.595  1.00  0.00           C  
HETATM    8  C   UNL     1       7.394   0.491   0.517  1.00  0.00           C  
HETATM    9  N   UNL     1       6.060   0.193  -0.010  1.00  0.00           N  
HETATM   10  C   UNL     1       5.108  -0.353   0.808  1.00  0.00           C  
HETATM   11  N   UNL     1       3.881  -0.624   0.292  1.00  0.00           N  
HETATM   12  N   UNL     1       5.417  -0.600   2.063  1.00  0.00           N  
HETATM   13  C   UNL     1       4.524  -1.134   2.911  1.00  0.00           C  
HETATM   14  O   UNL     1       4.824  -1.358   4.073  1.00  0.00           O  
HETATM   15  C   UNL     1       3.181  -1.443   2.411  1.00  0.00           C  
HETATM   16  C   UNL     1       2.899  -1.171   1.078  1.00  0.00           C  
HETATM   17  N   UNL     1       2.062  -1.969   2.962  1.00  0.00           N  
HETATM   18  C   UNL     1       1.128  -2.029   2.057  1.00  0.00           C  
HETATM   19  N   UNL     1       1.608  -1.549   0.873  1.00  0.00           N  
HETATM   20  C   UNL     1       0.865  -1.449  -0.386  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.555  -1.396  -0.129  1.00  0.00           O  
HETATM   22  C   UNL     1       1.066  -2.726  -1.232  1.00  0.00           C  
HETATM   23  O   UNL     1       2.072  -2.515  -2.224  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.310  -2.959  -1.893  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.199  -2.898  -3.316  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.181  -1.796  -1.368  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.612  -2.274  -1.112  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.427  -1.161  -0.739  1.00  0.00           O  
HETATM   29  P   UNL     1      -4.994  -1.297  -0.396  1.00  0.00           P  
HETATM   30  O   UNL     1      -5.176  -2.191   0.931  1.00  0.00           O  
HETATM   31  O   UNL     1      -5.692  -1.947  -1.528  1.00  0.00           O  
HETATM   32  O   UNL     1      -5.618   0.166  -0.148  1.00  0.00           O  
HETATM   33  P   UNL     1      -7.119   0.743  -0.075  1.00  0.00           P  
HETATM   34  O   UNL     1      -7.919   0.010   1.113  1.00  0.00           O  
HETATM   35  O   UNL     1      -7.807   0.492  -1.362  1.00  0.00           O  
HETATM   36  N   UNL     1      -7.069   2.399   0.220  1.00  0.00           N  
HETATM   37  P   UNL     1      -8.622   3.044   0.304  1.00  0.00           P  
HETATM   38  O   UNL     1      -9.370   2.388   1.400  1.00  0.00           O  
HETATM   39  O   UNL     1      -8.531   4.626   0.587  1.00  0.00           O  
HETATM   40  O   UNL     1      -9.384   2.791  -1.092  1.00  0.00           O  
HETATM   41  H   UNL     1      12.694   2.194  -2.766  1.00  0.00           H  
HETATM   42  H   UNL     1      12.151   3.828  -2.319  1.00  0.00           H  
HETATM   43  H   UNL     1      14.620   3.646  -2.192  1.00  0.00           H  
HETATM   44  H   UNL     1      13.918   3.941  -0.584  1.00  0.00           H  
HETATM   45  H   UNL     1      14.462   2.307  -1.031  1.00  0.00           H  
HETATM   46  H   UNL     1      10.111   2.098  -1.997  1.00  0.00           H  
HETATM   47  H   UNL     1      10.113   0.482   0.319  1.00  0.00           H  
HETATM   48  H   UNL     1       9.569   2.115   0.775  1.00  0.00           H  
HETATM   49  H   UNL     1       7.799   2.008  -0.959  1.00  0.00           H  
HETATM   50  H   UNL     1       8.343   0.375  -1.414  1.00  0.00           H  
HETATM   51  H   UNL     1       7.855  -0.428   0.881  1.00  0.00           H  
HETATM   52  H   UNL     1       7.311   1.205   1.336  1.00  0.00           H  
HETATM   53  H   UNL     1       5.852   0.382  -0.938  1.00  0.00           H  
HETATM   54  H   UNL     1       3.697  -0.430  -0.641  1.00  0.00           H  
HETATM   55  H   UNL     1       0.129  -2.406   2.216  1.00  0.00           H  
HETATM   56  H   UNL     1       1.183  -0.568  -0.943  1.00  0.00           H  
HETATM   57  H   UNL     1       1.332  -3.569  -0.594  1.00  0.00           H  
HETATM   58  H   UNL     1       2.239  -3.285  -2.785  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.726  -3.917  -1.581  1.00  0.00           H  
HETATM   60  H   UNL     1       0.385  -3.570  -3.694  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.179  -0.970  -2.079  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.010  -2.729  -2.019  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.610  -3.009  -0.307  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.743  -1.824   1.714  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.524   0.132   1.987  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.518   2.875  -0.478  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.391   5.065   0.648  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.948   3.194  -1.856  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    5    1    1                                       
CONECT    3    4    2   41   42                                       
CONECT    4    3   43   44   45                                       
CONECT    5    2    6   46                                            
CONECT    6    5    7   47   48                                       
CONECT    7    6    8   49   50                                       
CONECT    8    7    9   51   52                                       
CONECT    9    8   10   53                                            
CONECT   10   11    9   12   12                                       
CONECT   11   16   10   54                                            
CONECT   12   10   10   13                                            
CONECT   13   15   12   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   16   16   17   13                                       
CONECT   16   19   11   15   15                                       
CONECT   17   18   18   15                                            
CONECT   18   19   17   17   55                                       
CONECT   19   20   18   16                                            
CONECT   20   22   21   19   56                                       
CONECT   21   26   20                                                 
CONECT   22   23   24   20   57                                       
CONECT   23   22   58                                                 
CONECT   24   25   22   26   59                                       
CONECT   25   24   60                                                 
CONECT   26   24   27   21   61                                       
CONECT   27   28   26   62   63                                       
CONECT   28   29   27                                                 
CONECT   29   31   31   30   28                                       
CONECT   29   32                                                      
CONECT   30   29   64                                                 
CONECT   31   29   29                                                 
CONECT   32   29   33                                                 
CONECT   33   36   35   35   32                                       
CONECT   33   34                                                      
CONECT   34   33   65                                                 
CONECT   35   33   33                                                 
CONECT   36   37   33   66                                            
CONECT   37   38   38   40   36                                       
CONECT   37   39                                                      
CONECT   38   37   37                                                 
CONECT   39   37   67                                                 
CONECT   40   37   68                                                 
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   11                                                      
CONECT   55   18                                                      
CONECT   56   20                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   30                                                      
CONECT   65   34                                                      
CONECT   66   36                                                      
CONECT   67   39                                                      
CONECT   68   40                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
