COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.549   0.247  -0.530  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.087  -0.761  -1.024  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.012   0.309  -0.176  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.682  -1.018  -0.538  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.146  -0.955  -0.183  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.063  -0.504  -1.113  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.406  -0.447  -0.788  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.830  -0.840   0.467  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.913  -1.292   1.397  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.571  -1.354   1.070  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.753   1.308  -0.294  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.314   1.382  -0.589  1.00  0.00           C  
HETATM   13  C   UNL     1       0.426   0.335   0.202  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.182  -0.407   0.945  1.00  0.00           O  
HETATM   15  C   UNL     1       0.166   2.789  -0.177  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.142   3.623  -0.197  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.180   2.588   0.298  1.00  0.00           C  
HETATM   18  N   UNL     1       1.764   0.223   0.085  1.00  0.00           N  
HETATM   19  C   UNL     1       2.484  -0.795   0.855  1.00  0.00           C  
HETATM   20  C   UNL     1       3.957  -0.711   0.545  1.00  0.00           C  
HETATM   21  C   UNL     1       4.484  -1.450  -0.498  1.00  0.00           C  
HETATM   22  C   UNL     1       5.832  -1.377  -0.787  1.00  0.00           C  
HETATM   23  C   UNL     1       6.662  -0.556  -0.023  1.00  0.00           C  
HETATM   24  C   UNL     1       8.109  -0.473  -0.328  1.00  0.00           C  
HETATM   25  N   UNL     1       8.608  -1.167  -1.310  1.00  0.00           N  
HETATM   26  N   UNL     1       8.926   0.339   0.428  1.00  0.00           N  
HETATM   27  C   UNL     1       6.124   0.186   1.028  1.00  0.00           C  
HETATM   28  C   UNL     1       4.774   0.109   1.303  1.00  0.00           C  
HETATM   29  H   UNL     1      -4.120   0.491   0.894  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.486   1.119  -0.731  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.575  -1.199  -1.607  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.208  -1.827   0.018  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.732  -0.196  -2.094  1.00  0.00           H  
HETATM   34  H   UNL     1      -9.123  -0.094  -1.514  1.00  0.00           H  
HETATM   35  H   UNL     1      -9.879  -0.795   0.721  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.244  -1.600   2.378  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.854  -1.711   1.796  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.146   1.228  -1.655  1.00  0.00           H  
HETATM   39  H   UNL     1       0.597   2.772   0.825  1.00  0.00           H  
HETATM   40  H   UNL     1       0.886   3.178  -0.897  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.076   4.470   0.486  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.378   3.956  -1.208  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.178   2.854  -0.053  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.163   2.528   1.386  1.00  0.00           H  
HETATM   45  H   UNL     1       2.251   0.816  -0.508  1.00  0.00           H  
HETATM   46  H   UNL     1       2.326  -0.624   1.920  1.00  0.00           H  
HETATM   47  H   UNL     1       2.112  -1.784   0.586  1.00  0.00           H  
HETATM   48  H   UNL     1       3.841  -2.085  -1.089  1.00  0.00           H  
HETATM   49  H   UNL     1       6.243  -1.954  -1.602  1.00  0.00           H  
HETATM   50  H   UNL     1       9.556  -1.112  -1.510  1.00  0.00           H  
HETATM   51  H   UNL     1       8.554   0.855   1.160  1.00  0.00           H  
HETATM   52  H   UNL     1       9.874   0.393   0.228  1.00  0.00           H  
HETATM   53  H   UNL     1       6.762   0.823   1.622  1.00  0.00           H  
HETATM   54  H   UNL     1       4.355   0.687   2.113  1.00  0.00           H  
CONECT    1    3    2    2   11                                       
CONECT    2    1    1                                                 
CONECT    3    4    1   29   30                                       
CONECT    4    3    5   31   32                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   33                                       
CONECT    7    6    8    8   34                                       
CONECT    8    7    7    9   35                                       
CONECT    9    8   10   10   36                                       
CONECT   10    5    9    9   37                                       
CONECT   11    1   17   12                                            
CONECT   12   11   15   13   38                                       
CONECT   13   12   18   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   16   12   39   40                                       
CONECT   16   17   15   41   42                                       
CONECT   17   11   16   43   44                                       
CONECT   18   13   19   45                                            
CONECT   19   18   20   46   47                                       
CONECT   20   19   28   28   21                                       
CONECT   21   20   22   22   48                                       
CONECT   22   23   21   21   49                                       
CONECT   23   27   27   22   24                                       
CONECT   24   23   25   25   26                                       
CONECT   25   24   24   50                                            
CONECT   26   24   51   52                                            
CONECT   27   28   23   23   53                                       
CONECT   28   20   20   27   54                                       
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   12                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
