COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.695  -2.435   0.406  1.00  0.00           C  
HETATM    2  C   UNL     1       2.134  -3.591  -0.125  1.00  0.00           C  
HETATM    3  C   UNL     1       0.793  -3.640  -0.441  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.014  -2.529  -0.230  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.341  -0.707  -0.777  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.572   0.599  -0.362  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.553  -0.389   0.402  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.483   0.987   0.902  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.229   3.384   0.542  1.00  0.00           C  
HETATM   10  C   UNL     1       0.552  -1.362   0.306  1.00  0.00           C  
HETATM   11  C   UNL     1       3.192   2.191   0.608  1.00  0.00           C  
HETATM   12  C   UNL     1       3.395   3.156  -0.562  1.00  0.00           C  
HETATM   13  C   UNL     1       4.521   2.634  -1.459  1.00  0.00           C  
HETATM   14  O   UNL     1       4.019  -2.401   0.712  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.671  -1.052  -0.080  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.025  -0.478  -0.180  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.077  -1.248  -0.686  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.530   1.366   0.145  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.263   0.834   0.240  1.00  0.00           C  
HETATM   20  C   UNL     1       1.908  -1.317   0.618  1.00  0.00           C  
HETATM   21  C   UNL     1       2.514  -0.060   1.186  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.327  -2.298  -0.442  1.00  0.00           O  
HETATM   23  O   UNL     1      -6.819   1.128  -0.454  1.00  0.00           O  
HETATM   24  N   UNL     1      -0.298   2.008   0.042  1.00  0.00           N  
HETATM   25  O   UNL     1      -0.593   1.208   2.094  1.00  0.00           O  
HETATM   26  N   UNL     1       2.852   0.859   0.091  1.00  0.00           N  
HETATM   27  C   UNL     1       4.164   1.226  -1.945  1.00  0.00           C  
HETATM   28  C   UNL     1       3.938   0.316  -0.735  1.00  0.00           C  
HETATM   29  H   UNL     1       2.755  -4.459  -0.292  1.00  0.00           H  
HETATM   30  H   UNL     1       0.369  -4.544  -0.853  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.155  -1.301  -1.166  1.00  0.00           H  
HETATM   32  H   UNL     1       0.602   3.474   1.242  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.076   4.067  -0.294  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.160   3.633   1.050  1.00  0.00           H  
HETATM   35  H   UNL     1       4.110   2.130   1.192  1.00  0.00           H  
HETATM   36  H   UNL     1       2.382   2.553   1.241  1.00  0.00           H  
HETATM   37  H   UNL     1       2.474   3.228  -1.139  1.00  0.00           H  
HETATM   38  H   UNL     1       3.663   4.141  -0.179  1.00  0.00           H  
HETATM   39  H   UNL     1       4.640   3.296  -2.317  1.00  0.00           H  
HETATM   40  H   UNL     1       5.451   2.598  -0.893  1.00  0.00           H  
HETATM   41  H   UNL     1       4.583  -2.105  -0.015  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.900  -2.264  -1.003  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.714   2.381   0.466  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.455   1.431   0.635  1.00  0.00           H  
HETATM   45  H   UNL     1       1.798   0.419   1.854  1.00  0.00           H  
HETATM   46  H   UNL     1       3.418  -0.311   1.742  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.364   0.990   0.333  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.211   1.833  -0.908  1.00  0.00           H  
HETATM   49  H   UNL     1       3.254   1.268  -2.544  1.00  0.00           H  
HETATM   50  H   UNL     1       4.980   0.832  -2.550  1.00  0.00           H  
HETATM   51  H   UNL     1       4.852   0.264  -0.144  1.00  0.00           H  
HETATM   52  H   UNL     1       3.669  -0.683  -1.077  1.00  0.00           H  
CONECT    1   20   14    2    2                                       
CONECT    2    1    1    3   29                                       
CONECT    3    4    4    2   30                                       
CONECT    4   10   22    3    3                                       
CONECT    5    6   17   17   31                                       
CONECT    6   23   18   18    5                                       
CONECT    7    8   15   15   10                                       
CONECT    8   24   25   25    7                                       
CONECT    9   24   32   33   34                                       
CONECT   10    7   20   20    4                                       
CONECT   11   12   26   35   36                                       
CONECT   12   11   13   37   38                                       
CONECT   13   12   27   39   40                                       
CONECT   14    1   41                                                 
CONECT   15    7    7   16   22                                       
CONECT   16   19   19   17   15                                       
CONECT   17    5    5   16   42                                       
CONECT   18    6    6   19   43                                       
CONECT   19   18   16   16   44                                       
CONECT   20   21   10   10    1                                       
CONECT   21   20   26   45   46                                       
CONECT   22   15    4                                                 
CONECT   23    6   47                                                 
CONECT   24    9    8   48                                            
CONECT   25    8    8                                                 
CONECT   26   21   11   28                                            
CONECT   27   13   28   49   50                                       
CONECT   28   26   27   51   52                                       
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
