COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.772  -0.206  -3.564  1.00  0.00           N  
HETATM    2  C   UNL     1       1.937   0.333  -2.577  1.00  0.00           C  
HETATM    3  C   UNL     1       2.146   1.012  -1.334  1.00  0.00           C  
HETATM    4  C   UNL     1       2.165   2.361  -1.333  1.00  0.00           C  
HETATM    5  N   UNL     1       1.987   3.003  -2.533  1.00  0.00           N  
HETATM    6  O   UNL     1       2.347   3.122  -0.235  1.00  0.00           O  
HETATM    7  C   UNL     1       2.245   2.510   0.975  1.00  0.00           C  
HETATM    8  N   UNL     1       2.146   3.025   2.166  1.00  0.00           N  
HETATM    9  N   UNL     1       2.065   1.973   3.092  1.00  0.00           N  
HETATM   10  C   UNL     1       2.121   0.807   2.408  1.00  0.00           C  
HETATM   11  C   UNL     1       2.067  -0.577   3.003  1.00  0.00           C  
HETATM   12  C   UNL     1       2.232   1.104   1.105  1.00  0.00           C  
HETATM   13  C   UNL     1       2.328   0.186  -0.086  1.00  0.00           C  
HETATM   14  C   UNL     1       3.703  -0.484  -0.105  1.00  0.00           C  
HETATM   15  C   UNL     1       3.869  -1.270  -1.408  1.00  0.00           C  
HETATM   16  C   UNL     1       4.793   0.586  -0.013  1.00  0.00           C  
HETATM   17  C   UNL     1       1.250  -0.865  -0.009  1.00  0.00           C  
HETATM   18  C   UNL     1       1.594  -2.189   0.178  1.00  0.00           C  
HETATM   19  C   UNL     1       0.600  -3.168   0.250  1.00  0.00           C  
HETATM   20  C   UNL     1       0.957  -4.541   0.444  1.00  0.00           C  
HETATM   21  N   UNL     1       1.241  -5.630   0.598  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.076  -0.498  -0.121  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.080  -1.467  -0.050  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.741  -2.805   0.132  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.500  -1.072  -0.170  1.00  0.00           C  
HETATM   26  S   UNL     1      -3.080   0.571  -0.412  1.00  0.00           S  
HETATM   27  C   UNL     1      -4.748   0.014  -0.420  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.783  -1.311  -0.250  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.550  -1.916  -0.117  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.957   0.897  -0.592  1.00  0.00           C  
HETATM   31  O   UNL     1      -6.403   1.350   0.688  1.00  0.00           O  
HETATM   32  C   UNL     1      -7.551   2.199   0.636  1.00  0.00           C  
HETATM   33  H   UNL     1       1.853   2.487  -3.344  1.00  0.00           H  
HETATM   34  H   UNL     1       1.995   3.972  -2.570  1.00  0.00           H  
HETATM   35  H   UNL     1       1.027  -0.875   3.137  1.00  0.00           H  
HETATM   36  H   UNL     1       2.563  -1.280   2.334  1.00  0.00           H  
HETATM   37  H   UNL     1       2.573  -0.577   3.969  1.00  0.00           H  
HETATM   38  H   UNL     1       3.788  -1.164   0.742  1.00  0.00           H  
HETATM   39  H   UNL     1       3.919  -0.576  -2.247  1.00  0.00           H  
HETATM   40  H   UNL     1       4.788  -1.854  -1.365  1.00  0.00           H  
HETATM   41  H   UNL     1       3.019  -1.939  -1.539  1.00  0.00           H  
HETATM   42  H   UNL     1       4.626   1.199   0.873  1.00  0.00           H  
HETATM   43  H   UNL     1       5.769   0.105   0.057  1.00  0.00           H  
HETATM   44  H   UNL     1       4.761   1.215  -0.902  1.00  0.00           H  
HETATM   45  H   UNL     1       2.633  -2.469   0.268  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.338   0.540  -0.263  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.513  -3.558   0.187  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.707  -1.868  -0.222  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.435  -2.981   0.021  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.694   1.756  -1.210  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.754   0.332  -1.076  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.321   3.085   0.044  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.381   1.661   0.178  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.826   2.500   1.647  1.00  0.00           H  
HETATM   55  H   UNL     1       1.985   2.066   4.054  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    1    1    1    3                                       
CONECT    3    2    4    4   13                                       
CONECT    4    5    3    3    6                                       
CONECT    5    4   33   34                                            
CONECT    6    4    7                                                 
CONECT    7    6   12    8    8                                       
CONECT    8    7    7    9                                            
CONECT    9   10    8   55                                            
CONECT   10   12   12   11    9                                       
CONECT   11   10   35   36   37                                       
CONECT   12   13    7   10   10                                       
CONECT   13    3   14   17   12                                       
CONECT   14   16   13   15   38                                       
CONECT   15   14   39   40   41                                       
CONECT   16   14   42   43   44                                       
CONECT   17   18   13   22   22                                       
CONECT   18   19   19   17   45                                       
CONECT   19   20   18   18   24                                       
CONECT   20   21   21   21   19                                       
CONECT   21   20   20   20                                            
CONECT   22   17   17   23   46                                       
CONECT   23   24   24   22   25                                       
CONECT   24   19   23   23   47                                       
CONECT   25   23   26   29   29                                       
CONECT   26   25   27                                                 
CONECT   27   26   30   28   28                                       
CONECT   28   27   27   29   48                                       
CONECT   29   25   25   28   49                                       
CONECT   30   27   31   50   51                                       
CONECT   31   30   32                                                 
CONECT   32   31   52   53   54                                       
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   18                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
CONECT   50   30                                                      
CONECT   51   30                                                      
CONECT   52   32                                                      
CONECT   53   32                                                      
CONECT   54   32                                                      
CONECT   55    9                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
