COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.551   1.589  -0.707  1.00  0.00           C  
HETATM    2  C   UNL     1       0.605   0.240  -0.766  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.608  -1.278  -0.220  1.00  0.00           C  
HETATM    4  C   UNL     1       2.768   0.615  -1.164  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.842  -2.386  -0.396  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.578  -0.622  -0.572  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.061  -1.253   0.054  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.452  -1.674   0.488  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.066  -0.379   0.456  1.00  0.00           C  
HETATM   10  O   UNL     1      -8.182   0.499   0.887  1.00  0.00           O  
HETATM   11  C   UNL     1      -7.008   0.731   0.671  1.00  0.00           C  
HETATM   12  O   UNL     1      -6.570   2.005   0.629  1.00  0.00           O  
HETATM   13  N   UNL     1      -4.775  -0.181   0.220  1.00  0.00           N  
HETATM   14  S   UNL     1      -5.093  -2.671   0.198  1.00  0.00           S  
HETATM   15  N   UNL     1      -1.797  -0.202  -0.334  1.00  0.00           N  
HETATM   16  O   UNL     1      -0.582  -1.966  -0.620  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.314  -3.816  -0.350  1.00  0.00           C  
HETATM   18  S   UNL     1       2.175   2.208  -0.994  1.00  0.00           S  
HETATM   19  N   UNL     1       1.817  -0.240  -1.014  1.00  0.00           N  
HETATM   20  C   UNL     1       4.204   0.259  -1.451  1.00  0.00           C  
HETATM   21  N   UNL     1       4.720   1.130  -2.516  1.00  0.00           N  
HETATM   22  C   UNL     1       5.040   0.452  -0.184  1.00  0.00           C  
HETATM   23  C   UNL     1       6.471  -0.026  -0.440  1.00  0.00           C  
HETATM   24  C   UNL     1       7.307   0.167   0.827  1.00  0.00           C  
HETATM   25  N   UNL     1       8.677  -0.291   0.583  1.00  0.00           N  
HETATM   26  C   UNL     1       9.616  -0.215   1.584  1.00  0.00           C  
HETATM   27  N   UNL     1      10.902  -0.645   1.354  1.00  0.00           N  
HETATM   28  N   UNL     1       9.288   0.265   2.751  1.00  0.00           N  
HETATM   29  C   UNL     1      -7.555   3.049   0.850  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.876   4.417   0.764  1.00  0.00           C  
HETATM   31  H   UNL     1      -0.332   2.183  -0.521  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.458  -2.023   0.665  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.617  -4.132  -1.348  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.504  -4.455   0.002  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.162  -3.898   0.330  1.00  0.00           H  
HETATM   36  H   UNL     1       4.264  -0.781  -1.771  1.00  0.00           H  
HETATM   37  H   UNL     1       4.675   2.100  -2.243  1.00  0.00           H  
HETATM   38  H   UNL     1       5.661   0.869  -2.771  1.00  0.00           H  
HETATM   39  H   UNL     1       5.052   1.508   0.086  1.00  0.00           H  
HETATM   40  H   UNL     1       4.604  -0.125   0.631  1.00  0.00           H  
HETATM   41  H   UNL     1       6.458  -1.082  -0.709  1.00  0.00           H  
HETATM   42  H   UNL     1       6.907   0.552  -1.254  1.00  0.00           H  
HETATM   43  H   UNL     1       7.319   1.223   1.097  1.00  0.00           H  
HETATM   44  H   UNL     1       6.871  -0.411   1.642  1.00  0.00           H  
HETATM   45  H   UNL     1       8.921  -0.647  -0.285  1.00  0.00           H  
HETATM   46  H   UNL     1      11.146  -1.001   0.486  1.00  0.00           H  
HETATM   47  H   UNL     1      11.564  -0.591   2.061  1.00  0.00           H  
HETATM   48  H   UNL     1       8.380   0.568   2.912  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.333   2.981   0.089  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.000   2.925   1.837  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.615   5.201   0.930  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.098   4.485   1.525  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.430   4.541  -0.223  1.00  0.00           H  
CONECT    1    2    2   18   31                                       
CONECT    2    1    1    6   19                                       
CONECT    3    7   15    5    5                                       
CONECT    4   18   19   19   20                                       
CONECT    5    3    3   17   16                                       
CONECT    6   15   15    2   16                                       
CONECT    7   14   13   13    3                                       
CONECT    8   14    9    9   32                                       
CONECT    9    8    8   11   13                                       
CONECT   10   11   11                                                 
CONECT   11   10   10    9   12                                       
CONECT   12   11   29                                                 
CONECT   13    9    7    7                                            
CONECT   14    8    7                                                 
CONECT   15    3    6    6                                            
CONECT   16    6    5                                                 
CONECT   17    5   33   34   35                                       
CONECT   18    1    4                                                 
CONECT   19    2    4    4                                            
CONECT   20    4   22   21   36                                       
CONECT   21   20   37   38                                            
CONECT   22   23   20   39   40                                       
CONECT   23   22   24   41   42                                       
CONECT   24   23   25   43   44                                       
CONECT   25   26   24   45                                            
CONECT   26   28   28   27   25                                       
CONECT   27   26   46   47                                            
CONECT   28   26   26   48                                            
CONECT   29   12   30   49   50                                       
CONECT   30   29   51   52   53                                       
CONECT   31    1                                                      
CONECT   32    8                                                      
CONECT   33   17                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
