COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.829  -1.753   0.259  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.880   0.519  -1.076  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.991  -0.174  -1.131  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.477   0.854   2.091  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.543   1.838   2.576  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.591  -1.967  -1.063  1.00  0.00           C  
HETATM    7  C   UNL     1       0.332  -3.002  -0.082  1.00  0.00           C  
HETATM    8  O   UNL     1       5.985   2.630   0.244  1.00  0.00           O  
HETATM    9  C   UNL     1       5.146   1.901  -0.249  1.00  0.00           C  
HETATM   10  N   UNL     1       5.218   1.578  -1.555  1.00  0.00           N  
HETATM   11  C   UNL     1       6.373   1.999  -2.351  1.00  0.00           C  
HETATM   12  C   UNL     1       4.140   0.806  -2.179  1.00  0.00           C  
HETATM   13  C   UNL     1       4.047   1.369   0.586  1.00  0.00           C  
HETATM   14  C   UNL     1       3.543   0.090   0.347  1.00  0.00           C  
HETATM   15  C   UNL     1       2.514  -0.402   1.133  1.00  0.00           C  
HETATM   16  O   UNL     1       2.021  -1.647   0.904  1.00  0.00           O  
HETATM   17  C   UNL     1       0.110  -0.611  -0.064  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.098  -0.721  -0.724  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.272   0.283  -0.857  1.00  0.00           O  
HETATM   20  P   UNL     1      -4.167   1.176   0.140  1.00  0.00           P  
HETATM   21  N   UNL     1      -5.795   0.973  -0.234  1.00  0.00           N  
HETATM   22  C   UNL     1      -6.050   1.262  -1.658  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.891   0.691   1.728  1.00  0.00           N  
HETATM   24  O   UNL     1      -3.799   2.602  -0.010  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.647   0.869  -2.547  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.880  -3.107  -0.737  1.00  0.00           C  
HETATM   27  N   UNL     1       1.099  -4.222   0.255  1.00  0.00           N1+
HETATM   28  O   UNL     1       2.168  -4.130   0.833  1.00  0.00           O  
HETATM   29  O   UNL     1       0.662  -5.319  -0.044  1.00  0.00           O1-
HETATM   30  C   UNL     1       1.987   0.377   2.154  1.00  0.00           C  
HETATM   31  C   UNL     1       2.485   1.645   2.391  1.00  0.00           C  
HETATM   32  C   UNL     1       3.514   2.142   1.618  1.00  0.00           C  
HETATM   33  H   UNL     1      -1.548   1.347  -0.449  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.116  -0.771  -1.387  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.930  -0.722  -1.052  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.792   1.193   1.314  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.059   0.160   2.820  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.829   1.795   3.627  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.562   2.828   2.121  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.539  -2.051  -1.575  1.00  0.00           H  
HETATM   41  H   UNL     1       7.145   1.231  -2.307  1.00  0.00           H  
HETATM   42  H   UNL     1       6.066   2.146  -3.387  1.00  0.00           H  
HETATM   43  H   UNL     1       6.768   2.934  -1.953  1.00  0.00           H  
HETATM   44  H   UNL     1       3.342   0.645  -1.454  1.00  0.00           H  
HETATM   45  H   UNL     1       3.748   1.356  -3.035  1.00  0.00           H  
HETATM   46  H   UNL     1       4.529  -0.156  -2.512  1.00  0.00           H  
HETATM   47  H   UNL     1       3.954  -0.514  -0.448  1.00  0.00           H  
HETATM   48  H   UNL     1       0.495   0.363   0.201  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.213   1.615  -2.260  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.028   1.663  -1.925  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.577   0.962  -2.733  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.058   0.080  -3.177  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.140   1.813  -2.778  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.267  -4.079  -1.003  1.00  0.00           H  
HETATM   55  H   UNL     1       1.184  -0.009   2.765  1.00  0.00           H  
HETATM   56  H   UNL     1       2.070   2.246   3.187  1.00  0.00           H  
HETATM   57  H   UNL     1       3.903   3.132   1.809  1.00  0.00           H  
CONECT    1   16   17   17    7                                       
CONECT    2   19   25   18   33                                       
CONECT    3   21   22   34   35                                       
CONECT    4    5   23   36   37                                       
CONECT    5    4   23   38   39                                       
CONECT    6   18   18   26   40                                       
CONECT    7    1   27   26   26                                       
CONECT    8    9    9                                                 
CONECT    9   10    8    8   13                                       
CONECT   10   12   11    9                                            
CONECT   11   10   41   42   43                                       
CONECT   12   10   44   45   46                                       
CONECT   13    9   14   14   32                                       
CONECT   14   13   13   15   47                                       
CONECT   15   14   16   30   30                                       
CONECT   16   15    1                                                 
CONECT   17    1    1   18   48                                       
CONECT   18   17    2    6    6                                       
CONECT   19   20    2                                                 
CONECT   20   23   24   24   19                                       
CONECT   20   21                                                      
CONECT   21   20   22    3                                            
CONECT   22   21    3   49   50                                       
CONECT   23    4    5   20                                            
CONECT   24   20   20                                                 
CONECT   25    2   51   52   53                                       
CONECT   26    7    7    6   54                                       
CONECT   27   28   28    7   29                                       
CONECT   28   27   27                                                 
CONECT   29   27                                                      
CONECT   30   15   15   31   55                                       
CONECT   31   32   32   30   56                                       
CONECT   32   13   31   31   57                                       
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   14                                                      
CONECT   48   17                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
CONECT   57   32                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
