COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.259   3.648  -0.717  1.00  0.00           C  
HETATM    2  O   UNL     1       6.025   3.730  -0.001  1.00  0.00           O  
HETATM    3  C   UNL     1       5.280   2.596   0.074  1.00  0.00           C  
HETATM    4  C   UNL     1       4.070   2.606   0.755  1.00  0.00           C  
HETATM    5  C   UNL     1       3.312   1.457   0.833  1.00  0.00           C  
HETATM    6  C   UNL     1       5.727   1.431  -0.535  1.00  0.00           C  
HETATM    7  C   UNL     1       4.973   0.280  -0.462  1.00  0.00           C  
HETATM    8  C   UNL     1       3.761   0.285   0.227  1.00  0.00           C  
HETATM    9  C   UNL     1       2.947  -0.952   0.308  1.00  0.00           C  
HETATM   10  N   UNL     1       1.758  -1.092   0.939  1.00  0.00           N  
HETATM   11  N   UNL     1       3.241  -2.112  -0.221  1.00  0.00           N  
HETATM   12  O   UNL     1       2.368  -2.917   0.027  1.00  0.00           O  
HETATM   13  C   UNL     1       1.407  -2.340   0.754  1.00  0.00           C  
HETATM   14  C   UNL     1       0.153  -3.001   1.266  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.915  -2.858   0.273  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.093  -3.877  -0.763  1.00  0.00           C  
HETATM   17  C   UNL     1       0.133  -3.894  -1.679  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.258  -5.249  -0.106  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.733  -1.787   0.314  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.529  -0.898   1.113  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.901  -1.696  -0.634  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.583  -0.363  -0.463  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.607  -0.223   0.455  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.233   1.000   0.611  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.834   2.083  -0.150  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.504   3.392   0.018  1.00  0.00           N1+
HETATM   27  O   UNL     1      -6.406   3.515   0.826  1.00  0.00           O1-
HETATM   28  O   UNL     1      -5.153   4.346  -0.653  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.809   1.943  -1.067  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.181   0.721  -1.221  1.00  0.00           C  
HETATM   31  H   UNL     1       7.062   3.359  -1.749  1.00  0.00           H  
HETATM   32  H   UNL     1       7.753   4.620  -0.700  1.00  0.00           H  
HETATM   33  H   UNL     1       7.903   2.905  -0.248  1.00  0.00           H  
HETATM   34  H   UNL     1       3.722   3.515   1.225  1.00  0.00           H  
HETATM   35  H   UNL     1       2.371   1.466   1.364  1.00  0.00           H  
HETATM   36  H   UNL     1       6.666   1.428  -1.068  1.00  0.00           H  
HETATM   37  H   UNL     1       5.321  -0.626  -0.936  1.00  0.00           H  
HETATM   38  H   UNL     1       0.346  -4.060   1.441  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.153  -2.528   2.199  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.982  -3.647  -1.351  1.00  0.00           H  
HETATM   41  H   UNL     1       1.000  -4.241  -1.117  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.049  -4.566  -2.517  1.00  0.00           H  
HETATM   43  H   UNL     1       0.320  -2.888  -2.053  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.070  -5.209   0.620  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.490  -5.992  -0.869  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.332  -5.524   0.398  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.546  -1.793  -1.660  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.609  -2.496  -0.417  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.919  -1.069   1.049  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.033   1.109   1.328  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.498   2.789  -1.662  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.378   0.613  -1.935  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    3    1                                                 
CONECT    3    6    6    4    2                                       
CONECT    4    5    5    3   34                                       
CONECT    5    8    4    4   35                                       
CONECT    6    7    3    3   36                                       
CONECT    7    8    8    6   37                                       
CONECT    8    9    7    7    5                                       
CONECT    9   10   11   11    8                                       
CONECT   10   13   13    9                                            
CONECT   11   12    9    9                                            
CONECT   12   13   11                                                 
CONECT   13   14   12   10   10                                       
CONECT   14   15   13   38   39                                       
CONECT   15   19   16   14                                            
CONECT   16   18   15   17   40                                       
CONECT   17   16   41   42   43                                       
CONECT   18   16   44   45   46                                       
CONECT   19   21   20   20   15                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   47   48                                       
CONECT   22   21   23   23   30                                       
CONECT   23   22   22   24   49                                       
CONECT   24   23   25   25   50                                       
CONECT   25   24   24   29   26                                       
CONECT   26   25   27   28   28                                       
CONECT   27   26                                                      
CONECT   28   26   26                                                 
CONECT   29   30   30   25   51                                       
CONECT   30   22   29   29   52                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
