COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -9.522   2.250   1.175  1.00  0.00           O  
HETATM    2  N   UNL     1      -8.869   2.213   0.148  1.00  0.00           N1+
HETATM    3  O   UNL     1      -9.295   2.739  -0.865  1.00  0.00           O1-
HETATM    4  C   UNL     1      -7.553   1.535   0.131  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.822   1.502  -1.023  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.581   0.862  -1.039  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.070   0.942   1.289  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.848   0.306   1.296  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.089   0.255   0.130  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.863  -0.289  -0.179  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.566  -0.049  -1.493  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.563   0.642  -2.069  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.004  -1.017   0.758  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.641  -0.977   0.304  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.035  -2.233   0.679  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.150  -3.271   0.398  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.975  -4.438   1.204  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.425  -2.498   0.813  1.00  0.00           C  
HETATM   19  C   UNL     1       0.196  -2.516  -0.185  1.00  0.00           C  
HETATM   20  O   UNL     1       1.212  -1.553   0.103  1.00  0.00           O  
HETATM   21  P   UNL     1       2.648  -1.549  -0.626  1.00  0.00           P  
HETATM   22  O   UNL     1       3.289  -2.873  -0.459  1.00  0.00           O  
HETATM   23  O   UNL     1       2.453  -1.241  -2.194  1.00  0.00           O  
HETATM   24  O   UNL     1       3.581  -0.414   0.033  1.00  0.00           O  
HETATM   25  P   UNL     1       5.159  -0.101  -0.008  1.00  0.00           P  
HETATM   26  O   UNL     1       5.649  -0.216  -1.400  1.00  0.00           O  
HETATM   27  O   UNL     1       5.940  -1.156   0.924  1.00  0.00           O  
HETATM   28  O   UNL     1       5.425   1.392   0.532  1.00  0.00           O  
HETATM   29  P   UNL     1       6.640   2.437   0.380  1.00  0.00           P  
HETATM   30  O   UNL     1       6.146   3.903   0.824  1.00  0.00           O  
HETATM   31  O   UNL     1       7.864   1.977   1.319  1.00  0.00           O  
HETATM   32  O   UNL     1       7.087   2.472  -1.030  1.00  0.00           O  
HETATM   33  H   UNL     1      -7.203   1.969  -1.919  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.657   0.980   2.195  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.480  -0.152   2.202  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.663  -0.368  -1.993  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.606   0.973  -3.096  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.079  -0.573   1.751  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.770  -2.230   1.737  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.181  -3.532  -0.660  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.649  -5.117   1.064  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.725  -2.772   1.825  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.235  -2.691   0.109  1.00  0.00           H  
HETATM   44  H   UNL     1       0.571  -3.516   0.034  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.077  -2.453  -1.238  1.00  0.00           H  
HETATM   46  H   UNL     1       2.038  -0.387  -2.378  1.00  0.00           H  
HETATM   47  H   UNL     1       5.670  -1.137   1.852  1.00  0.00           H  
HETATM   48  H   UNL     1       6.828   4.585   0.758  1.00  0.00           H  
HETATM   49  H   UNL     1       7.643   1.931   2.260  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2                                                      
CONECT    4    2    7    5    5                                       
CONECT    5    4    4    6   33                                       
CONECT    6    5    9    9   12                                       
CONECT    7    4    8    8   34                                       
CONECT    8    7    7    9   35                                       
CONECT    9    6    6    8   10                                       
CONECT   10    9   13   11                                            
CONECT   11   10   12   12   36                                       
CONECT   12    6   11   11   37                                       
CONECT   13   10   18   14   38                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   19   39                                       
CONECT   16   15   18   17   40                                       
CONECT   17   16   41                                                 
CONECT   18   13   16   42   43                                       
CONECT   19   15   20   44   45                                       
CONECT   20   19   21                                                 
CONECT   21   20   24   22   22                                       
CONECT   21   23                                                      
CONECT   22   21   21                                                 
CONECT   23   21   46                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26   26   28                                       
CONECT   25   27                                                      
CONECT   26   25   25                                                 
CONECT   27   25   47                                                 
CONECT   28   25   29                                                 
CONECT   29   28   32   32   30                                       
CONECT   29   31                                                      
CONECT   30   29   48                                                 
CONECT   31   29   49                                                 
CONECT   32   29   29                                                 
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   23                                                      
CONECT   47   27                                                      
CONECT   48   30                                                      
CONECT   49   31                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
