COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -0.701   4.224  -1.232  1.00  0.00           C  
HETATM    2  O   UNL     1       0.241   3.182  -0.966  1.00  0.00           O  
HETATM    3  C   UNL     1      -0.250   2.022  -0.455  1.00  0.00           C  
HETATM    4  C   UNL     1       0.614   0.964  -0.172  1.00  0.00           C  
HETATM    5  N   UNL     1       1.985   1.097  -0.415  1.00  0.00           N  
HETATM    6  C   UNL     1       2.828  -0.009  -0.284  1.00  0.00           C  
HETATM    7  C   UNL     1       2.433  -1.248  -0.773  1.00  0.00           C  
HETATM    8  C   UNL     1       3.268  -2.339  -0.642  1.00  0.00           C  
HETATM    9  C   UNL     1       4.498  -2.200  -0.023  1.00  0.00           C  
HETATM   10  C   UNL     1       4.894  -0.969   0.466  1.00  0.00           C  
HETATM   11  C   UNL     1       6.234  -0.823   1.140  1.00  0.00           C  
HETATM   12  N   UNL     1       7.251  -0.478   0.138  1.00  0.00           N  
HETATM   13  C   UNL     1       6.999   0.853  -0.432  1.00  0.00           C  
HETATM   14  C   UNL     1       8.602  -0.558   0.709  1.00  0.00           C  
HETATM   15  C   UNL     1       4.066   0.128   0.332  1.00  0.00           C  
HETATM   16  C   UNL     1       0.114  -0.221   0.351  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.238  -0.355   0.592  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.604   1.892  -0.209  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.105   0.699   0.311  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.558   0.555   0.570  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.241   1.534   1.288  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.248  -0.562   0.088  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.576  -1.508  -0.621  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.215  -2.781  -0.763  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.679  -2.542  -1.156  1.00  0.00           C  
HETATM   26  O   UNL     1      -6.299  -1.770  -0.121  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.608  -0.690   0.335  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.275   0.290   1.056  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.593   1.397   1.527  1.00  0.00           C  
HETATM   30  H   UNL     1      -1.437   3.872  -1.955  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.205   4.502  -0.306  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.179   5.091  -1.636  1.00  0.00           H  
HETATM   33  H   UNL     1       2.350   1.957  -0.675  1.00  0.00           H  
HETATM   34  H   UNL     1       1.473  -1.358  -1.256  1.00  0.00           H  
HETATM   35  H   UNL     1       2.962  -3.303  -1.022  1.00  0.00           H  
HETATM   36  H   UNL     1       5.149  -3.056   0.079  1.00  0.00           H  
HETATM   37  H   UNL     1       6.179  -0.033   1.889  1.00  0.00           H  
HETATM   38  H   UNL     1       6.503  -1.763   1.622  1.00  0.00           H  
HETATM   39  H   UNL     1       7.024   1.599   0.363  1.00  0.00           H  
HETATM   40  H   UNL     1       7.766   1.083  -1.171  1.00  0.00           H  
HETATM   41  H   UNL     1       6.019   0.864  -0.910  1.00  0.00           H  
HETATM   42  H   UNL     1       8.788  -1.573   1.060  1.00  0.00           H  
HETATM   43  H   UNL     1       9.335  -0.298  -0.054  1.00  0.00           H  
HETATM   44  H   UNL     1       8.685   0.136   1.545  1.00  0.00           H  
HETATM   45  H   UNL     1       4.378   1.090   0.709  1.00  0.00           H  
HETATM   46  H   UNL     1       0.784  -1.039   0.569  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.626  -1.280   0.994  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.273   2.712  -0.424  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.712   2.399   1.659  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.715  -3.359  -1.541  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.170  -3.323   0.182  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.723  -1.996  -2.098  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.193  -3.498  -1.260  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.334   0.190   1.246  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.120   2.155   2.088  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    3    1                                                 
CONECT    3   18   18    4    2                                       
CONECT    4   16   16    3    5                                       
CONECT    5    4    6   33                                            
CONECT    6    7    5   15   15                                       
CONECT    7    8    8    6   34                                       
CONECT    8    7    7    9   35                                       
CONECT    9    8   10   10   36                                       
CONECT   10    9    9   15   11                                       
CONECT   11   12   10   37   38                                       
CONECT   12   14   13   11                                            
CONECT   13   12   39   40   41                                       
CONECT   14   12   42   43   44                                       
CONECT   15    6    6   10   45                                       
CONECT   16   17    4    4   46                                       
CONECT   17   19   19   16   47                                       
CONECT   18   19    3    3   48                                       
CONECT   19   20   17   17   18                                       
CONECT   20   21   21   22   19                                       
CONECT   21   29   20   20   49                                       
CONECT   22   27   27   20   23                                       
CONECT   23   22   24                                                 
CONECT   24   25   23   50   51                                       
CONECT   25   26   24   52   53                                       
CONECT   26   27   25                                                 
CONECT   27   28   26   22   22                                       
CONECT   28   29   29   27   54                                       
CONECT   29   28   28   21   55                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   21                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
