COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.326  -0.544   1.541  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.400  -3.228   2.022  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.007  -2.939   1.460  1.00  0.00           C  
HETATM    4  C   UNL     1       1.891  -0.498  -0.263  1.00  0.00           C  
HETATM    5  C   UNL     1       1.087  -1.469  -1.130  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.473  -0.570  -0.943  1.00  0.00           N1+
HETATM    7  S   UNL     1      -1.262  -2.240   0.417  1.00  0.00           S  
HETATM    8  C   UNL     1      -0.380  -1.333  -0.809  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.240  -0.502  -1.404  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.108  -1.719  -0.397  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.039  -1.634   0.662  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.700  -1.412   0.007  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.032   3.633   0.973  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.976   2.650  -0.820  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.716   1.486  -0.599  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.619   1.471   0.446  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.539   0.279  -1.483  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.215   4.837   1.861  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.835   0.437  -2.511  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.749   2.552   1.203  1.00  0.00           N  
HETATM   21  N   UNL     1      -3.163   3.693  -0.016  1.00  0.00           N  
HETATM   22  N   UNL     1      -2.062   2.716  -1.858  1.00  0.00           N  
HETATM   23  O   UNL     1      -5.045  -2.674  -1.339  1.00  0.00           O  
HETATM   24  O   UNL     1       4.313   0.078   1.627  1.00  0.00           O  
HETATM   25  O   UNL     1       7.344  -0.410   1.714  1.00  0.00           O  
HETATM   26  O   UNL     1       4.232   1.799  -0.218  1.00  0.00           O  
HETATM   27  O   UNL     1       8.337  -1.155  -0.485  1.00  0.00           O  
HETATM   28  O   UNL     1       5.872  -0.252  -0.331  1.00  0.00           O  
HETATM   29  O   UNL     1       7.898   1.386   0.029  1.00  0.00           O  
HETATM   30  O   UNL     1       3.281  -0.627  -0.567  1.00  0.00           O  
HETATM   31  O   UNL     1      -6.022  -0.928  -0.399  1.00  0.00           O  
HETATM   32  P   UNL     1       4.422   0.246   0.160  1.00  0.00           P  
HETATM   33  P   UNL     1       7.362  -0.114   0.263  1.00  0.00           P  
HETATM   34  H   UNL     1      -3.678  -0.430   2.249  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.706  -2.410   2.674  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.111  -3.322   1.201  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.377  -4.157   2.591  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.296  -2.844   2.282  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.701  -3.756   0.808  1.00  0.00           H  
HETATM   40  H   UNL     1       1.568   0.523  -0.466  1.00  0.00           H  
HETATM   41  H   UNL     1       1.726  -0.728   0.790  1.00  0.00           H  
HETATM   42  H   UNL     1       1.252  -1.238  -2.182  1.00  0.00           H  
HETATM   43  H   UNL     1       1.410  -2.490  -0.926  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.208   0.589   0.646  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.272   0.601  -2.489  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.470  -0.286  -1.518  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.996   5.476   1.449  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.502   4.510   2.860  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.280   5.394   1.915  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.582   1.409  -2.089  1.00  0.00           H  
HETATM   51  H   UNL     1       0.032   0.031  -3.033  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.661   0.549  -3.214  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.197   2.184  -2.658  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.286   3.294  -1.785  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.753  -2.689  -1.997  1.00  0.00           H  
HETATM   56  H   UNL     1       4.291   1.984  -1.165  1.00  0.00           H  
HETATM   57  H   UNL     1       9.253  -1.127  -0.176  1.00  0.00           H  
HETATM   58  H   UNL     1       7.936   1.649  -0.901  1.00  0.00           H  
CONECT    1   11   34                                                 
CONECT    2    3   35   36   37                                       
CONECT    3   11    2   38   39                                       
CONECT    4    5   30   40   41                                       
CONECT    5    8    4   42   43                                       
CONECT    6   17   12   12    9                                       
CONECT    7   12    8                                                 
CONECT    8    7    9    9    5                                       
CONECT    9    6    8    8   19                                       
CONECT   10   11   31   31   23                                       
CONECT   11   12    1   10    3                                       
CONECT   12    6    6    7   11                                       
CONECT   13   20   20   18   21                                       
CONECT   14   21   21   22   15                                       
CONECT   15   14   16   16   17                                       
CONECT   16   20   15   15   44                                       
CONECT   17   15    6   45   46                                       
CONECT   18   13   47   48   49                                       
CONECT   19    9   50   51   52                                       
CONECT   20   13   13   16                                            
CONECT   21   13   14   14                                            
CONECT   22   14   53   54                                            
CONECT   23   10   55                                                 
CONECT   24   32   32                                                 
CONECT   25   33   33                                                 
CONECT   26   32   56                                                 
CONECT   27   33   57                                                 
CONECT   28   32   33                                                 
CONECT   29   33   58                                                 
CONECT   30    4   32                                                 
CONECT   31   10   10                                                 
CONECT   32   30   24   24   26                                       
CONECT   32   28                                                      
CONECT   33   28   25   25   27                                       
CONECT   33   29                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   29                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
