COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.448   1.849   0.448  1.00  0.00           C  
HETATM    2  C   UNL     1       8.213   0.986   0.421  1.00  0.00           C  
HETATM    3  C   UNL     1       6.049   0.506  -0.422  1.00  0.00           C  
HETATM    4  C   UNL     1       4.720  -1.189   0.154  1.00  0.00           C  
HETATM    5  C   UNL     1       3.896  -0.644  -0.743  1.00  0.00           C  
HETATM    6  N   UNL     1       1.521  -0.536  -0.239  1.00  0.00           N  
HETATM    7  C   UNL     1       1.636  -1.048   1.152  1.00  0.00           C  
HETATM    8  C   UNL     1       0.241  -0.747   1.763  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.670  -2.157  -0.132  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.873  -0.010   0.575  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.350  -0.258   0.063  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.410  -1.095  -0.348  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.808  -1.454  -0.875  1.00  0.00           C  
HETATM   14  N   UNL     1      -6.864   0.733  -0.133  1.00  0.00           N  
HETATM   15  C   UNL     1      -7.987   1.521  -0.130  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.604   2.753   0.261  1.00  0.00           C  
HETATM   17  O   UNL     1       8.140   0.008   1.134  1.00  0.00           O  
HETATM   18  N   UNL     1       7.189   1.301  -0.396  1.00  0.00           N  
HETATM   19  N   UNL     1       5.868  -0.555   0.302  1.00  0.00           N  
HETATM   20  C   UNL     1       2.527  -1.155  -1.112  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.702  -0.996   0.579  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.368  -2.380   0.682  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.069  -0.766   0.161  1.00  0.00           N  
HETATM   24  C   UNL     1      -6.658  -0.584  -0.440  1.00  0.00           C  
HETATM   25  N   UNL     1      -6.287   2.738   0.495  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.813   1.524   0.253  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.578   1.010   0.347  1.00  0.00           N  
HETATM   28  C   UNL     1       0.149  -0.878  -0.684  1.00  0.00           C  
HETATM   29  S   UNL     1       4.680   0.787  -1.406  1.00  0.00           S  
HETATM   30  H   UNL     1      10.161   1.439   1.164  1.00  0.00           H  
HETATM   31  H   UNL     1       9.900   1.868  -0.544  1.00  0.00           H  
HETATM   32  H   UNL     1       9.177   2.862   0.745  1.00  0.00           H  
HETATM   33  H   UNL     1       4.471  -2.082   0.709  1.00  0.00           H  
HETATM   34  H   UNL     1       1.833  -2.120   1.152  1.00  0.00           H  
HETATM   35  H   UNL     1       2.416  -0.513   1.694  1.00  0.00           H  
HETATM   36  H   UNL     1       0.022  -1.431   2.582  1.00  0.00           H  
HETATM   37  H   UNL     1       0.181   0.288   2.098  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.476  -2.279  -1.197  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.444  -2.851   0.194  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.020   0.399   1.574  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.679   0.795  -0.133  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.226  -2.132  -0.586  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.909  -1.408  -1.959  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.620  -2.484  -0.571  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.728  -1.100  -0.409  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.988   1.212  -0.392  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.255   3.608   0.375  1.00  0.00           H  
HETATM   48  H   UNL     1       7.247   2.084  -0.967  1.00  0.00           H  
HETATM   49  H   UNL     1       2.313  -0.901  -2.150  1.00  0.00           H  
HETATM   50  H   UNL     1       2.498  -2.238  -0.990  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.593  -2.629   1.719  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.747  -3.148   0.223  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.243  -0.089  -1.326  1.00  0.00           H  
HETATM   54  H   UNL     1       0.155  -1.827  -1.220  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2   18    1   17   17                                       
CONECT    3   19   19   29   18                                       
CONECT    4   19    5    5   33                                       
CONECT    5    4    4   20   29                                       
CONECT    6   20    7   28                                            
CONECT    7    6    8   34   35                                       
CONECT    8    7   21   36   37                                       
CONECT    9   23   22   38   39                                       
CONECT   10   21   23   40   41                                       
CONECT   11   27   27   12   23                                       
CONECT   12   24   24   11   42                                       
CONECT   13   24   43   44   45                                       
CONECT   14   15   26   24                                            
CONECT   15   16   16   14   46                                       
CONECT   16   25   15   15   47                                       
CONECT   17    2    2                                                 
CONECT   18    3    2   48                                            
CONECT   19    4    3    3                                            
CONECT   20    5    6   49   50                                       
CONECT   21   28   10    8   22                                       
CONECT   22   21    9   51   52                                       
CONECT   23   11   10    9                                            
CONECT   24   14   13   12   12                                       
CONECT   25   16   26   26                                            
CONECT   26   25   25   14   27                                       
CONECT   27   26   11   11                                            
CONECT   28    6   21   53   54                                       
CONECT   29    5    3                                                 
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    4                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   18                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
