COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.033  -3.721   0.262  1.00  0.00           C  
HETATM    2  C   UNL     1       5.419  -2.643  -0.220  1.00  0.00           C  
HETATM    3  C   UNL     1       4.098  -2.258   0.296  1.00  0.00           C  
HETATM    4  O   UNL     1       3.476  -1.166  -0.192  1.00  0.00           O  
HETATM    5  C   UNL     1       2.173  -0.846   0.365  1.00  0.00           C  
HETATM    6  C   UNL     1       1.959   0.645   0.315  1.00  0.00           C  
HETATM    7  C   UNL     1       1.349   1.291   1.375  1.00  0.00           C  
HETATM    8  C   UNL     1       1.152   2.658   1.329  1.00  0.00           C  
HETATM    9  C   UNL     1       1.564   3.380   0.224  1.00  0.00           C  
HETATM   10  N   UNL     1       1.352   4.844   0.175  1.00  0.00           N1+
HETATM   11  O   UNL     1       0.815   5.413   1.108  1.00  0.00           O  
HETATM   12  O   UNL     1       1.715   5.479  -0.799  1.00  0.00           O1-
HETATM   13  C   UNL     1       2.174   2.734  -0.835  1.00  0.00           C  
HETATM   14  C   UNL     1       2.376   1.367  -0.787  1.00  0.00           C  
HETATM   15  C   UNL     1       1.101  -1.535  -0.439  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.186  -1.464  -0.045  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.229  -2.134  -0.826  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.570  -1.902  -0.177  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.238  -0.705  -0.376  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.686   0.262  -1.157  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.002   0.231  -2.550  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.476  -0.495   0.224  1.00  0.00           C  
HETATM   23  O   UNL     1      -5.136   0.679   0.031  1.00  0.00           O  
HETATM   24  C   UNL     1      -6.402   0.825   0.678  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.034  -1.483   1.018  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.362  -2.676   1.212  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.135  -2.887   0.612  1.00  0.00           C  
HETATM   28  O   UNL     1       1.395  -2.153  -1.440  1.00  0.00           O  
HETATM   29  O   UNL     1       3.566  -2.924   1.163  1.00  0.00           O  
HETATM   30  H   UNL     1       5.561  -4.312   1.032  1.00  0.00           H  
HETATM   31  H   UNL     1       7.002  -4.006  -0.121  1.00  0.00           H  
HETATM   32  H   UNL     1       5.891  -2.051  -0.990  1.00  0.00           H  
HETATM   33  H   UNL     1       2.127  -1.186   1.400  1.00  0.00           H  
HETATM   34  H   UNL     1       1.027   0.727   2.238  1.00  0.00           H  
HETATM   35  H   UNL     1       0.675   3.163   2.156  1.00  0.00           H  
HETATM   36  H   UNL     1       2.496   3.297  -1.698  1.00  0.00           H  
HETATM   37  H   UNL     1       2.853   0.862  -1.614  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.422  -0.970   0.756  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.241  -1.730  -1.839  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.024  -3.204  -0.864  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.498   1.054  -3.056  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.669  -0.715  -2.977  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.080   0.329  -2.681  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.819   1.804   0.442  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.080   0.046   0.329  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.271   0.736   1.757  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.995  -1.322   1.485  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.799  -3.445   1.831  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.613  -3.819   0.766  1.00  0.00           H  
CONECT    1    2    2   30   31                                       
CONECT    2    3    1    1   32                                       
CONECT    3    4   29   29    2                                       
CONECT    4    5    3                                                 
CONECT    5    6   15    4   33                                       
CONECT    6   14   14    7    5                                       
CONECT    7    8    8    6   34                                       
CONECT    8    9    7    7   35                                       
CONECT    9   10   13   13    8                                       
CONECT   10   12   11   11    9                                       
CONECT   11   10   10                                                 
CONECT   12   10                                                      
CONECT   13    9    9   14   36                                       
CONECT   14   13    6    6   37                                       
CONECT   15   16   28   28    5                                       
CONECT   16   15   17   38                                            
CONECT   17   18   16   39   40                                       
CONECT   18   27   27   19   17                                       
CONECT   19   22   22   18   20                                       
CONECT   20   19   21                                                 
CONECT   21   20   41   42   43                                       
CONECT   22   25   23   19   19                                       
CONECT   23   22   24                                                 
CONECT   24   23   44   45   46                                       
CONECT   25   26   26   22   47                                       
CONECT   26   25   25   27   48                                       
CONECT   27   26   18   18   49                                       
CONECT   28   15   15                                                 
CONECT   29    3    3                                                 
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
