COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -1.628   0.227  -0.254  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.619  -0.934  -0.032  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.901  -0.571  -0.801  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.082  -0.474   0.166  1.00  0.00           C  
HETATM    5  C   UNL     1       1.459  -1.421  -1.217  1.00  0.00           C  
HETATM    6  C   UNL     1       0.785   0.040   0.420  1.00  0.00           C  
HETATM    7  C   UNL     1       2.091   0.942   2.086  1.00  0.00           C  
HETATM    8  C   UNL     1       3.134  -0.499   0.616  1.00  0.00           C  
HETATM    9  C   UNL     1       6.450  -2.208   0.688  1.00  0.00           C  
HETATM   10  C   UNL     1       6.303   0.188   0.324  1.00  0.00           C  
HETATM   11  C   UNL     1       7.309  -0.275  -0.503  1.00  0.00           C  
HETATM   12  C   UNL     1       7.973   1.984  -0.959  1.00  0.00           C  
HETATM   13  C   UNL     1       6.133   1.550   0.508  1.00  0.00           C  
HETATM   14  C   UNL     1       7.287  -1.788  -0.538  1.00  0.00           C  
HETATM   15  C   UNL     1       8.143   0.626  -1.144  1.00  0.00           C  
HETATM   16  C   UNL     1       6.965   2.447  -0.133  1.00  0.00           C  
HETATM   17  C   UNL     1       5.536  -0.983   0.901  1.00  0.00           C  
HETATM   18  N   UNL     1       4.269  -1.162   0.187  1.00  0.00           N  
HETATM   19  N   UNL     1       3.173   0.306   1.674  1.00  0.00           N  
HETATM   20  N   UNL     1       0.925   0.823   1.488  1.00  0.00           N  
HETATM   21  C   UNL     1       1.912  -0.658  -0.055  1.00  0.00           C  
HETATM   22  C   UNL     1       0.152  -1.156  -1.370  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.263  -0.283  -0.397  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.103   0.885  -1.573  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.645   0.799  -1.462  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.148   1.853  -0.639  1.00  0.00           O  
HETATM   27  O   UNL     1      -6.286  -0.251  -0.572  1.00  0.00           O  
HETATM   28  S   UNL     1      -7.531  -0.137   0.295  1.00  0.00           S  
HETATM   29  O   UNL     1      -8.639  -0.122  -0.594  1.00  0.00           O  
HETATM   30  O   UNL     1      -7.384  -1.092   1.337  1.00  0.00           O  
HETATM   31  N   UNL     1      -7.492   1.352   1.018  1.00  0.00           N  
HETATM   32  H   UNL     1      -1.684   0.938   0.571  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.200  -1.862  -0.423  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.838  -1.041   1.030  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.105  -1.322  -1.564  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.168  -1.403   0.730  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.920   0.355   0.855  1.00  0.00           H  
HETATM   38  H   UNL     1       2.062  -2.070  -1.835  1.00  0.00           H  
HETATM   39  H   UNL     1       2.167   1.586   2.949  1.00  0.00           H  
HETATM   40  H   UNL     1       5.859  -3.098   0.467  1.00  0.00           H  
HETATM   41  H   UNL     1       7.088  -2.372   1.556  1.00  0.00           H  
HETATM   42  H   UNL     1       8.625   2.684  -1.460  1.00  0.00           H  
HETATM   43  H   UNL     1       5.347   1.912   1.154  1.00  0.00           H  
HETATM   44  H   UNL     1       8.300  -2.182  -0.458  1.00  0.00           H  
HETATM   45  H   UNL     1       6.816  -2.138  -1.457  1.00  0.00           H  
HETATM   46  H   UNL     1       8.929   0.266  -1.790  1.00  0.00           H  
HETATM   47  H   UNL     1       6.831   3.509   0.013  1.00  0.00           H  
HETATM   48  H   UNL     1       5.353  -0.828   1.964  1.00  0.00           H  
HETATM   49  H   UNL     1       4.227  -1.747  -0.586  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.479  -1.568  -2.144  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.777   1.924  -1.626  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.745   0.323  -2.435  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.101   0.836  -2.452  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.013   2.738  -1.007  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.754   1.957   0.842  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.206   1.620   1.617  1.00  0.00           H  
CONECT    1    2   23   24   32                                       
CONECT    2    1    3   33   34                                       
CONECT    3    2    4   25   35                                       
CONECT    4    3   27   36   37                                       
CONECT    5   21   22   22   38                                       
CONECT    6   20   20   21   23                                       
CONECT    7   19   19   20   39                                       
CONECT    8   18   19   21   21                                       
CONECT    9   14   17   40   41                                       
CONECT   10   11   11   13   17                                       
CONECT   11   10   10   14   15                                       
CONECT   12   15   15   16   42                                       
CONECT   13   10   16   16   43                                       
CONECT   14    9   11   44   45                                       
CONECT   15   11   12   12   46                                       
CONECT   16   12   13   13   47                                       
CONECT   17    9   10   18   48                                       
CONECT   18    8   17   49                                            
CONECT   19    7    7    8                                            
CONECT   20    6    6    7                                            
CONECT   21    5    6    8    8                                       
CONECT   22    5    5   23   50                                       
CONECT   23    1    6   22                                            
CONECT   24    1   25   51   52                                       
CONECT   25    3   24   26   53                                       
CONECT   26   25   54                                                 
CONECT   27    4   28                                                 
CONECT   28   27   29   29   30                                       
CONECT   28   30   31                                                 
CONECT   29   28   28                                                 
CONECT   30   28   28                                                 
CONECT   31   28   55   56                                            
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    7                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   22                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
