COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.844  -0.770   0.774  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.980  -1.262   0.166  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.134  -0.455   0.022  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.177   0.866   0.484  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.315   1.603   0.320  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.442   1.052  -0.305  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.426  -0.245  -0.768  1.00  0.00           C  
HETATM    8  C   UNL     1       3.358   0.957   1.441  1.00  0.00           C  
HETATM    9  C   UNL     1       3.736  -0.070   0.658  1.00  0.00           C  
HETATM   10  C   UNL     1       5.102  -0.187   0.091  1.00  0.00           C  
HETATM   11  C   UNL     1       7.136  -1.430  -0.194  1.00  0.00           C  
HETATM   12  C   UNL     1       6.895   0.726  -1.218  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.678   1.187  -1.101  1.00  0.00           C  
HETATM   14  O   UNL     1      -6.563   1.805  -0.456  1.00  0.00           O  
HETATM   15  O   UNL     1      -4.356   2.886   0.769  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.176   3.391   1.398  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.270  -1.019  -0.611  1.00  0.00           C  
HETATM   18  N   UNL     1      -4.202  -2.288  -1.045  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.105  -2.988  -0.883  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.077  -4.408  -1.387  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.019  -2.502  -0.303  1.00  0.00           N  
HETATM   22  C   UNL     1       0.342  -1.620   0.907  1.00  0.00           C  
HETATM   23  C   UNL     1       0.216  -2.477   2.169  1.00  0.00           C  
HETATM   24  C   UNL     1       1.572  -0.755   1.008  1.00  0.00           C  
HETATM   25  C   UNL     1       2.738  -1.015   0.423  1.00  0.00           C  
HETATM   26  S   UNL     1       1.680   0.743   1.922  1.00  0.00           S  
HETATM   27  C   UNL     1       5.866  -1.326   0.336  1.00  0.00           C  
HETATM   28  C   UNL     1       7.651  -0.405  -0.967  1.00  0.00           C  
HETATM   29  C   UNL     1       5.624   0.840  -0.693  1.00  0.00           C  
HETATM   30  C   UNL     1       4.801   2.073  -0.968  1.00  0.00           C  
HETATM   31  N   UNL     1       3.744   1.750  -1.936  1.00  0.00           N  
HETATM   32  C   UNL     1       2.993   2.954  -2.316  1.00  0.00           C  
HETATM   33  H   UNL     1      -0.828   0.140   1.109  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.314   1.300   0.967  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.299  -0.663  -1.248  1.00  0.00           H  
HETATM   36  H   UNL     1       3.989   1.783   1.733  1.00  0.00           H  
HETATM   37  H   UNL     1       7.730  -2.310  -0.001  1.00  0.00           H  
HETATM   38  H   UNL     1       7.302   1.524  -1.822  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.392   0.882  -2.108  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.988   0.311  -0.530  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.504   1.895  -1.156  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.941   2.782   2.271  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.344   3.353   0.694  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.342   4.422   1.709  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.727  -4.421  -2.419  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.404  -5.001  -0.767  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.081  -4.831  -1.339  1.00  0.00           H  
HETATM   48  H   UNL     1       0.424  -2.268   0.035  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.673  -3.102   2.096  1.00  0.00           H  
HETATM   50  H   UNL     1       1.098  -3.109   2.268  1.00  0.00           H  
HETATM   51  H   UNL     1       0.134  -1.828   3.041  1.00  0.00           H  
HETATM   52  H   UNL     1       2.899  -1.888  -0.191  1.00  0.00           H  
HETATM   53  H   UNL     1       5.465  -2.127   0.939  1.00  0.00           H  
HETATM   54  H   UNL     1       8.647  -0.487  -1.376  1.00  0.00           H  
HETATM   55  H   UNL     1       4.349   2.422  -0.040  1.00  0.00           H  
HETATM   56  H   UNL     1       5.442   2.854  -1.377  1.00  0.00           H  
HETATM   57  H   UNL     1       4.127   1.291  -2.749  1.00  0.00           H  
HETATM   58  H   UNL     1       3.672   3.678  -2.768  1.00  0.00           H  
HETATM   59  H   UNL     1       2.218   2.687  -3.034  1.00  0.00           H  
HETATM   60  H   UNL     1       2.534   3.391  -1.430  1.00  0.00           H  
CONECT    1   22    2   33                                            
CONECT    2    1   21   21    3                                       
CONECT    3    2    4    4   17                                       
CONECT    4    3    3    5   34                                       
CONECT    5    4   15    6    6                                       
CONECT    6    5    5    7   14                                       
CONECT    7   17   17    6   35                                       
CONECT    8   26    9    9   36                                       
CONECT    9   25   10    8    8                                       
CONECT   10   27    9   29   29                                       
CONECT   11   27   27   28   37                                       
CONECT   12   28   28   29   38                                       
CONECT   13   14   39   40   41                                       
CONECT   14    6   13                                                 
CONECT   15   16    5                                                 
CONECT   16   15   42   43   44                                       
CONECT   17    3   18    7    7                                       
CONECT   18   19   19   17                                            
CONECT   19   21   20   18   18                                       
CONECT   20   19   45   46   47                                       
CONECT   21    2    2   19                                            
CONECT   22   23   24    1   48                                       
CONECT   23   22   49   50   51                                       
CONECT   24   22   25   25   26                                       
CONECT   25   24   24    9   52                                       
CONECT   26   24    8                                                 
CONECT   27   11   11   10   53                                       
CONECT   28   11   12   12   54                                       
CONECT   29   10   10   12   30                                       
CONECT   30   29   31   55   56                                       
CONECT   31   30   32   57                                            
CONECT   32   31   58   59   60                                       
CONECT   33    1                                                      
CONECT   34    4                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   25                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
CONECT   59   32                                                      
CONECT   60   32                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
