COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.559   2.585   0.185  1.00  0.00           C  
HETATM    2  C   UNL     1       3.285   1.469  -0.030  1.00  0.00           C  
HETATM    3  C   UNL     1       2.520   0.620  -0.854  1.00  0.00           C  
HETATM    4  C   UNL     1       1.355   1.249  -1.111  1.00  0.00           C  
HETATM    5  C   UNL     1       4.662   1.183   0.512  1.00  0.00           C  
HETATM    6  C   UNL     1       4.544   0.489   1.844  1.00  0.00           C  
HETATM    7  C   UNL     1       2.928  -0.742  -1.355  1.00  0.00           C  
HETATM    8  C   UNL     1       2.480  -1.809  -0.355  1.00  0.00           C  
HETATM    9  C   UNL     1       2.888  -3.170  -0.857  1.00  0.00           C  
HETATM   10  C   UNL     1       2.985   3.770   1.012  1.00  0.00           C  
HETATM   11  N   UNL     1       1.376   2.458  -0.481  1.00  0.00           N  
HETATM   12  O   UNL     1       3.453   0.252   2.307  1.00  0.00           O  
HETATM   13  O   UNL     1       5.650   0.136   2.517  1.00  0.00           O  
HETATM   14  O   UNL     1       3.477  -3.276  -1.906  1.00  0.00           O  
HETATM   15  O   UNL     1       2.597  -4.266  -0.137  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.658  -0.166  -1.109  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.674   0.254  -0.330  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.235  -0.884   0.283  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.539  -1.957  -0.146  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.128   1.680  -0.146  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.176   2.010  -1.177  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.398  -0.900   1.241  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.708  -0.928   0.452  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.871  -0.943   1.411  1.00  0.00           C  
HETATM   25  C   UNL     1       0.229   0.712  -1.955  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.566  -1.522  -0.996  1.00  0.00           N  
HETATM   27  O   UNL     1      -3.520   1.173  -1.979  1.00  0.00           O  
HETATM   28  O   UNL     1      -3.728   3.233  -1.205  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.672  -0.934   2.603  1.00  0.00           O  
HETATM   30  O   UNL     1      -7.128  -0.968   0.941  1.00  0.00           O  
HETATM   31  H   UNL     1       5.200   0.540  -0.185  1.00  0.00           H  
HETATM   32  H   UNL     1       5.206   2.119   0.636  1.00  0.00           H  
HETATM   33  H   UNL     1       2.459  -0.929  -2.321  1.00  0.00           H  
HETATM   34  H   UNL     1       4.012  -0.779  -1.464  1.00  0.00           H  
HETATM   35  H   UNL     1       2.949  -1.622   0.611  1.00  0.00           H  
HETATM   36  H   UNL     1       1.396  -1.772  -0.246  1.00  0.00           H  
HETATM   37  H   UNL     1       3.505   4.488   0.378  1.00  0.00           H  
HETATM   38  H   UNL     1       2.105   4.242   1.450  1.00  0.00           H  
HETATM   39  H   UNL     1       3.652   3.437   1.808  1.00  0.00           H  
HETATM   40  H   UNL     1       0.664   3.117  -0.498  1.00  0.00           H  
HETATM   41  H   UNL     1       5.524  -0.306   3.368  1.00  0.00           H  
HETATM   42  H   UNL     1       2.879  -5.117  -0.500  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.719  -2.983   0.138  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.548   1.802   0.852  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.276   2.350  -0.266  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.335  -1.786   1.873  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.367  -0.007   1.864  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.771  -0.041  -0.179  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.739  -1.821  -0.171  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.355   1.542  -2.353  1.00  0.00           H  
HETATM   51  H   UNL     1       0.638   0.128  -2.779  1.00  0.00           H  
HETATM   52  H   UNL     1       0.080  -2.085  -1.451  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.396   3.398  -1.885  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.841  -0.978   1.594  1.00  0.00           H  
CONECT    1    2    2   10   11                                       
CONECT    2    1    1    3    5                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3   11   25                                       
CONECT    5    2    6   31   32                                       
CONECT    6    5   12   12   13                                       
CONECT    7    3    8   33   34                                       
CONECT    8    7    9   35   36                                       
CONECT    9    8   14   14   15                                       
CONECT   10    1   37   38   39                                       
CONECT   11    1    4   40                                            
CONECT   12    6    6                                                 
CONECT   13    6   41                                                 
CONECT   14    9    9                                                 
CONECT   15    9   42                                                 
CONECT   16   17   17   25   26                                       
CONECT   17   16   16   18   20                                       
CONECT   18   17   19   19   22                                       
CONECT   19   18   18   26   43                                       
CONECT   20   17   21   44   45                                       
CONECT   21   20   27   27   28                                       
CONECT   22   18   23   46   47                                       
CONECT   23   22   24   48   49                                       
CONECT   24   23   29   29   30                                       
CONECT   25    4   16   50   51                                       
CONECT   26   16   19   52                                            
CONECT   27   21   21                                                 
CONECT   28   21   53                                                 
CONECT   29   24   24                                                 
CONECT   30   24   54                                                 
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   15                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   28                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
