COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.607   2.557   1.324  1.00  0.00           C  
HETATM    2  C   UNL     1       6.561   1.803   0.544  1.00  0.00           C  
HETATM    3  N   UNL     1       5.415   2.394   0.272  1.00  0.00           N  
HETATM    4  C   UNL     1       4.468   1.766  -0.411  1.00  0.00           C  
HETATM    5  C   UNL     1       4.693   0.473  -0.841  1.00  0.00           C  
HETATM    6  C   UNL     1       3.643  -0.276  -1.621  1.00  0.00           C  
HETATM    7  N   UNL     1       2.846  -1.096  -0.705  1.00  0.00           N1+
HETATM    8  C   UNL     1       3.171  -2.363  -0.531  1.00  0.00           C  
HETATM    9  C   UNL     1       2.443  -3.167   0.325  1.00  0.00           C  
HETATM   10  C   UNL     1       1.362  -2.627   1.005  1.00  0.00           C  
HETATM   11  C   UNL     1       1.051  -1.292   0.796  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.114  -0.659   1.511  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.351  -0.706   0.612  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.456  -0.105   1.290  1.00  0.00           O  
HETATM   15  P   UNL     1      -3.716  -0.189   0.292  1.00  0.00           P  
HETATM   16  O   UNL     1      -4.109  -1.732   0.051  1.00  0.00           O  
HETATM   17  O   UNL     1      -3.363   0.437  -1.002  1.00  0.00           O  
HETATM   18  O   UNL     1      -4.968   0.588   0.941  1.00  0.00           O  
HETATM   19  P   UNL     1      -6.039   0.814  -0.240  1.00  0.00           P  
HETATM   20  O   UNL     1      -6.876  -0.542  -0.472  1.00  0.00           O  
HETATM   21  O   UNL     1      -7.045   2.003   0.167  1.00  0.00           O  
HETATM   22  O   UNL     1      -5.328   1.175  -1.488  1.00  0.00           O  
HETATM   23  C   UNL     1       1.828  -0.548  -0.072  1.00  0.00           C  
HETATM   24  C   UNL     1       1.500   0.904  -0.306  1.00  0.00           C  
HETATM   25  C   UNL     1       5.918  -0.124  -0.536  1.00  0.00           C  
HETATM   26  N   UNL     1       6.191  -1.419  -0.945  1.00  0.00           N  
HETATM   27  N   UNL     1       6.820   0.573   0.149  1.00  0.00           N  
HETATM   28  H   UNL     1       7.465   2.379   2.390  1.00  0.00           H  
HETATM   29  H   UNL     1       8.598   2.215   1.027  1.00  0.00           H  
HETATM   30  H   UNL     1       7.514   3.624   1.119  1.00  0.00           H  
HETATM   31  H   UNL     1       3.533   2.259  -0.629  1.00  0.00           H  
HETATM   32  H   UNL     1       2.992   0.436  -2.130  1.00  0.00           H  
HETATM   33  H   UNL     1       4.125  -0.918  -2.358  1.00  0.00           H  
HETATM   34  H   UNL     1       4.014  -2.776  -1.064  1.00  0.00           H  
HETATM   35  H   UNL     1       2.713  -4.204   0.464  1.00  0.00           H  
HETATM   36  H   UNL     1       0.775  -3.232   1.680  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.314  -1.204   2.434  1.00  0.00           H  
HETATM   38  H   UNL     1       0.124   0.379   1.747  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.151  -0.160  -0.310  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.589  -1.743   0.376  1.00  0.00           H  
HETATM   41  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.668   2.105  -0.565  1.00  0.00           H  
HETATM   43  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   44  H   UNL     1       2.111   1.525   0.350  1.00  0.00           H  
HETATM   45  H   UNL     1       1.708   1.161  -1.345  1.00  0.00           H  
HETATM   46  H   UNL     1       0.446   1.078  -0.093  1.00  0.00           H  
HETATM   47  H   UNL     1       5.530  -1.919  -1.448  1.00  0.00           H  
HETATM   48  H   UNL     1       7.045  -1.826  -0.729  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    1    3    3   27                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    5   31                                       
CONECT    5    4    4    6   25                                       
CONECT    6    5    7   32   33                                       
CONECT    7    6    8    8   23                                       
CONECT    8    7    7    9   34                                       
CONECT    9    8   10   10   35                                       
CONECT   10    9    9   11   36                                       
CONECT   11   10   12   23   23                                       
CONECT   12   11   13   37   38                                       
CONECT   13   12   14   39   40                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   16   17                                       
CONECT   15   18                                                      
CONECT   16   15   15                                                 
CONECT   17   15   41                                                 
CONECT   18   15   19                                                 
CONECT   19   18   20   20   21                                       
CONECT   19   22                                                      
CONECT   20   19   19                                                 
CONECT   21   19   42                                                 
CONECT   22   19   43                                                 
CONECT   23    7   11   11   24                                       
CONECT   24   23   44   45   46                                       
CONECT   25    5   26   27   27                                       
CONECT   26   25   47   48                                            
CONECT   27    2   25   25                                            
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   17                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
