COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.266   1.313   0.170  1.00  0.00           N  
HETATM    2  C   UNL     1       0.008   0.968  -0.337  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.203   0.955  -1.713  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.440   0.616  -2.215  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.013   0.639   0.530  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.285   0.289   0.033  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.391  -0.059   0.720  1.00  0.00           N  
HETATM    8  C   UNL     1       4.753   0.323   0.250  1.00  0.00           C  
HETATM    9  C   UNL     1       4.736  -1.107  -0.122  1.00  0.00           C  
HETATM   10  C   UNL     1       7.164  -3.154   1.059  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.668  -0.960  -0.439  1.00  0.00           C  
HETATM   12  C   UNL     1       2.382   0.951  -0.493  1.00  0.00           C  
HETATM   13  O   UNL     1       2.296   0.392  -1.569  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.482   0.287  -1.352  1.00  0.00           C  
HETATM   15  S   UNL     1      -4.150  -0.181  -1.675  1.00  0.00           S  
HETATM   16  C   UNL     1      -4.454  -0.342   0.049  1.00  0.00           C  
HETATM   17  N   UNL     1      -5.662  -0.714   0.604  1.00  0.00           N  
HETATM   18  C   UNL     1       3.708   1.233   0.086  1.00  0.00           C  
HETATM   19  C   UNL     1       5.821   1.020   0.839  1.00  0.00           C  
HETATM   20  N   UNL     1       5.459   2.263   1.017  1.00  0.00           N  
HETATM   21  N   UNL     1       4.145   2.428   0.563  1.00  0.00           N  
HETATM   22  C   UNL     1       3.376   3.674   0.592  1.00  0.00           C  
HETATM   23  O   UNL     1       3.743  -1.592  -0.627  1.00  0.00           O  
HETATM   24  N   UNL     1       5.822  -1.873   0.101  1.00  0.00           N  
HETATM   25  C   UNL     1       6.187  -3.281  -0.118  1.00  0.00           C  
HETATM   26  C   UNL     1       7.164  -1.669   0.667  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.971  -1.426   0.216  1.00  0.00           C  
HETATM   28  O   UNL     1      -8.401  -0.444   1.163  1.00  0.00           O  
HETATM   29  C   UNL     1      -7.445  -0.180   2.193  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.137   0.299   1.558  1.00  0.00           C  
HETATM   31  H   UNL     1       1.335   1.816   0.997  1.00  0.00           H  
HETATM   32  H   UNL     1       0.602   1.210  -2.386  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.603   0.606  -3.282  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.836   0.649   1.595  1.00  0.00           H  
HETATM   35  H   UNL     1       6.720  -3.359   2.033  1.00  0.00           H  
HETATM   36  H   UNL     1       8.120  -3.656   0.907  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.849  -0.039  -0.994  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.307  -1.730  -1.120  1.00  0.00           H  
HETATM   39  H   UNL     1       6.781   0.599   1.101  1.00  0.00           H  
HETATM   40  H   UNL     1       2.769   3.706   1.497  1.00  0.00           H  
HETATM   41  H   UNL     1       4.060   4.523   0.584  1.00  0.00           H  
HETATM   42  H   UNL     1       2.727   3.721  -0.283  1.00  0.00           H  
HETATM   43  H   UNL     1       6.680  -3.458  -1.074  1.00  0.00           H  
HETATM   44  H   UNL     1       5.369  -3.976   0.070  1.00  0.00           H  
HETATM   45  H   UNL     1       7.176  -0.995   1.523  1.00  0.00           H  
HETATM   46  H   UNL     1       7.917  -1.418  -0.079  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.737  -1.555  -0.548  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.802  -2.374   0.727  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.831   0.592   2.859  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.261  -1.092   2.761  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.387   0.447   2.336  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.310   1.240   1.035  1.00  0.00           H  
CONECT    1   12    2   31                                            
CONECT    2    1    3    3    5                                       
CONECT    3    2    2    4   32                                       
CONECT    4    3   14   14   33                                       
CONECT    5    2    6    6   34                                       
CONECT    6    5    5   14    7                                       
CONECT    7    6   16   16                                            
CONECT    8   18   18   19    9                                       
CONECT    9    8   23   23   24                                       
CONECT   10   25   26   35   36                                       
CONECT   11   17   27   37   38                                       
CONECT   12   13   13    1   18                                       
CONECT   13   12   12                                                 
CONECT   14    4    4    6   15                                       
CONECT   15   14   16                                                 
CONECT   16   15    7    7   17                                       
CONECT   17   16   11   30                                            
CONECT   18   12    8    8   21                                       
CONECT   19    8   20   20   39                                       
CONECT   20   19   19   21                                            
CONECT   21   18   20   22                                            
CONECT   22   21   40   41   42                                       
CONECT   23    9    9                                                 
CONECT   24    9   25   26                                            
CONECT   25   24   10   43   44                                       
CONECT   26   24   10   45   46                                       
CONECT   27   11   28   47   48                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   49   50                                       
CONECT   30   17   29   51   52                                       
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   19                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
