COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.342   0.914   0.389  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.387  -0.164   1.159  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.398  -1.153   0.639  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.216  -2.506   0.857  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.143  -3.414   0.380  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.252  -2.968  -0.315  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.284   1.149  -0.659  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.928   1.739  -1.931  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.044   1.572  -0.068  1.00  0.00           C  
HETATM   10  C   UNL     1       2.164   1.503   0.385  1.00  0.00           C  
HETATM   11  C   UNL     1       2.033   0.185  -0.039  1.00  0.00           C  
HETATM   12  C   UNL     1       4.280  -0.217   0.323  1.00  0.00           C  
HETATM   13  N   UNL     1       4.485   1.056   0.747  1.00  0.00           N  
HETATM   14  C   UNL     1       5.826   1.477   1.161  1.00  0.00           C  
HETATM   15  C   UNL     1       3.465   1.934   0.794  1.00  0.00           C  
HETATM   16  O   UNL     1       3.647   3.077   1.178  1.00  0.00           O  
HETATM   17  C   UNL     1       4.930  -2.610   0.433  1.00  0.00           C  
HETATM   18  O   UNL     1       6.758  -3.383  -0.947  1.00  0.00           O  
HETATM   19  C   UNL     1       7.299  -2.072  -1.125  1.00  0.00           C  
HETATM   20  C   UNL     1       6.168  -1.042  -1.061  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.283   1.495   1.451  1.00  0.00           O  
HETATM   22  N   UNL     1      -4.356   0.061   0.143  1.00  0.00           N  
HETATM   23  C   UNL     1      -8.434  -1.615  -0.533  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.510  -0.707  -0.051  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.687   3.263  -1.770  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.296   3.290  -1.091  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.303   2.135  -0.169  1.00  0.00           N  
HETATM   28  N   UNL     1       1.009   2.191   0.345  1.00  0.00           N  
HETATM   29  N   UNL     1       3.104  -0.629  -0.054  1.00  0.00           N  
HETATM   30  C   UNL     1       5.443  -1.175   0.282  1.00  0.00           C  
HETATM   31  C   UNL     1       6.108  -3.580   0.311  1.00  0.00           C  
HETATM   32  S   UNL     1       0.350  -0.091  -0.479  1.00  0.00           S  
HETATM   33  H   UNL     1      -5.885   0.779   1.385  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.925  -0.558   2.064  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.350  -2.854   1.399  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.001  -4.471   0.549  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.976  -3.678  -0.688  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.783   0.211  -0.898  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.430   1.363  -2.825  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.994   1.516  -1.963  1.00  0.00           H  
HETATM   41  H   UNL     1       6.523   1.333   0.336  1.00  0.00           H  
HETATM   42  H   UNL     1       5.806   2.530   1.440  1.00  0.00           H  
HETATM   43  H   UNL     1       6.146   0.880   2.015  1.00  0.00           H  
HETATM   44  H   UNL     1       4.461  -2.728   1.410  1.00  0.00           H  
HETATM   45  H   UNL     1       4.201  -2.821  -0.350  1.00  0.00           H  
HETATM   46  H   UNL     1       8.023  -1.867  -0.336  1.00  0.00           H  
HETATM   47  H   UNL     1       7.791  -2.012  -2.096  1.00  0.00           H  
HETATM   48  H   UNL     1       6.584  -0.039  -1.153  1.00  0.00           H  
HETATM   49  H   UNL     1       5.465  -1.222  -1.874  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.403  -0.404  -0.707  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.300  -1.268  -1.077  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.654   0.350  -0.218  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.658   3.759  -2.741  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.445   3.713  -1.128  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.508   3.177  -1.835  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.163   4.218  -0.535  1.00  0.00           H  
HETATM   57  H   UNL     1       6.133  -0.947   1.093  1.00  0.00           H  
HETATM   58  H   UNL     1       6.817  -3.395   1.119  1.00  0.00           H  
HETATM   59  H   UNL     1       5.744  -4.605   0.375  1.00  0.00           H  
CONECT    1   22    7   21   21                                       
CONECT    2   22    3   33   34                                       
CONECT    3    2   24   24    4                                       
CONECT    4    3    5    5   35                                       
CONECT    5    4    4    6   36                                       
CONECT    6   23   23    5   37                                       
CONECT    7   27    8    1   38                                       
CONECT    8   25    7   39   40                                       
CONECT    9   32   27   28   28                                       
CONECT   10   11   11   15   28                                       
CONECT   11   29   32   10   10                                       
CONECT   12   30   29   29   13                                       
CONECT   13   12   14   15                                            
CONECT   14   13   41   42   43                                       
CONECT   15   13   10   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   31   30   44   45                                       
CONECT   18   19   31                                                 
CONECT   19   18   20   46   47                                       
CONECT   20   19   30   48   49                                       
CONECT   21    1    1                                                 
CONECT   22    2    1   50                                            
CONECT   23   24    6    6   51                                       
CONECT   24    3    3   23   52                                       
CONECT   25   26    8   53   54                                       
CONECT   26   27   25   55   56                                       
CONECT   27   26    9    7                                            
CONECT   28   10    9    9                                            
CONECT   29   12   12   11                                            
CONECT   30   20   17   12   57                                       
CONECT   31   18   17   58   59                                       
CONECT   32   11    9                                                 
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   26                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
