COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.033  -2.980   0.116  1.00  0.00           N  
HETATM    2  N   UNL     1      -5.425  -1.150   1.385  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.147  -1.654   0.110  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.023  -3.745   0.537  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.373  -1.939   1.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.123   0.163   1.215  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.861   0.282   0.712  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.135   3.819  -0.447  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.346  -1.088   0.562  1.00  0.00           C  
HETATM   10  C   UNL     1       1.063   0.875  -0.927  1.00  0.00           C  
HETATM   11  C   UNL     1       3.316   1.435  -0.273  1.00  0.00           C  
HETATM   12  C   UNL     1       6.185   0.963   0.454  1.00  0.00           C  
HETATM   13  C   UNL     1       5.440   2.252   0.833  1.00  0.00           C  
HETATM   14  C   UNL     1       4.352   2.517  -0.193  1.00  0.00           C  
HETATM   15  O   UNL     1       5.402  -1.551  -0.006  1.00  0.00           O  
HETATM   16  S   UNL     1       5.053  -0.421   0.783  1.00  0.00           S  
HETATM   17  O   UNL     1       4.806  -0.546   2.176  1.00  0.00           O  
HETATM   18  C   UNL     1       2.073   1.801  -0.788  1.00  0.00           C  
HETATM   19  C   UNL     1       3.517   0.128   0.108  1.00  0.00           C  
HETATM   20  C   UNL     1       2.497  -0.803  -0.026  1.00  0.00           C  
HETATM   21  C   UNL     1       1.273  -0.437  -0.547  1.00  0.00           C  
HETATM   22  C   UNL     1       0.175  -1.458  -0.699  1.00  0.00           C  
HETATM   23  C   UNL     1       0.118  -1.932  -2.153  1.00  0.00           C  
HETATM   24  C   UNL     1       1.458  -2.562  -2.537  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.997  -2.968  -2.307  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.108  -0.854  -0.331  1.00  0.00           N  
HETATM   27  N   UNL     1      -4.165  -3.255   0.969  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.156   1.529   0.385  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.957   1.617   0.572  1.00  0.00           O  
HETATM   30  N   UNL     1      -3.838   2.576  -0.122  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.800   5.135  -0.038  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.758   4.725  -1.512  1.00  0.00           C  
HETATM   33  H   UNL     1      -6.268  -1.482   1.731  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.891  -4.817   0.526  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.782   0.988   1.443  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.047   3.770  -0.403  1.00  0.00           H  
HETATM   37  H   UNL     1       0.106   1.175  -1.327  1.00  0.00           H  
HETATM   38  H   UNL     1       6.450   0.984  -0.603  1.00  0.00           H  
HETATM   39  H   UNL     1       7.085   0.860   1.060  1.00  0.00           H  
HETATM   40  H   UNL     1       4.990   2.136   1.819  1.00  0.00           H  
HETATM   41  H   UNL     1       6.140   3.087   0.847  1.00  0.00           H  
HETATM   42  H   UNL     1       4.818   2.625  -1.173  1.00  0.00           H  
HETATM   43  H   UNL     1       3.857   3.454   0.058  1.00  0.00           H  
HETATM   44  H   UNL     1       1.900   2.825  -1.083  1.00  0.00           H  
HETATM   45  H   UNL     1       2.668  -1.828   0.269  1.00  0.00           H  
HETATM   46  H   UNL     1       0.377  -2.309  -0.047  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.084  -1.082  -2.804  1.00  0.00           H  
HETATM   48  H   UNL     1       1.659  -3.413  -1.886  1.00  0.00           H  
HETATM   49  H   UNL     1       1.416  -2.900  -3.573  1.00  0.00           H  
HETATM   50  H   UNL     1       2.252  -1.824  -2.427  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.952  -2.519  -2.033  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.038  -3.306  -3.343  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.795  -3.819  -1.656  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.228   0.106  -0.396  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.793   2.505  -0.270  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.760   5.075   0.474  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.149   5.951   0.276  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.080   5.271  -2.167  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.691   4.395  -1.969  1.00  0.00           H  
CONECT    1    3    3    4                                            
CONECT    2    5    6   33                                            
CONECT    3   26    1    1    9                                       
CONECT    4    1   27   27   34                                       
CONECT    5   27    2    9    9                                       
CONECT    6    2    7    7   35                                       
CONECT    7    6    6   28    9                                       
CONECT    8   30   32   31   36                                       
CONECT    9    7    3    5    5                                       
CONECT   10   21   21   18   37                                       
CONECT   11   18   18   19   14                                       
CONECT   12   16   13   38   39                                       
CONECT   13   12   14   40   41                                       
CONECT   14   13   11   42   43                                       
CONECT   15   16   16                                                 
CONECT   16   19   17   17   15                                       
CONECT   16   15   12                                                 
CONECT   17   16   16                                                 
CONECT   18   10   11   11   44                                       
CONECT   19   11   20   20   16                                       
CONECT   20   19   19   21   45                                       
CONECT   21   22   10   10   20                                       
CONECT   22   23   26   21   46                                       
CONECT   23   25   24   22   47                                       
CONECT   24   23   48   49   50                                       
CONECT   25   23   51   52   53                                       
CONECT   26   22    3   54                                            
CONECT   27    4    4    5                                            
CONECT   28    7   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28    8   55                                            
CONECT   31   32    8   56   57                                       
CONECT   32    8   31   58   59                                       
CONECT   33    2                                                      
CONECT   34    4                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   18                                                      
CONECT   45   20                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
CONECT   59   32                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
