COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.776  -2.423   1.253  1.00  0.00           O  
HETATM    2  C   UNL     1       0.501  -1.319   0.811  1.00  0.00           C  
HETATM    3  N   UNL     1       1.269  -0.771  -0.149  1.00  0.00           N  
HETATM    4  C   UNL     1       2.430  -1.508  -0.655  1.00  0.00           C  
HETATM    5  C   UNL     1       3.402  -1.778   0.495  1.00  0.00           C  
HETATM    6  C   UNL     1       3.951  -0.471   1.006  1.00  0.00           C  
HETATM    7  C   UNL     1       3.299   0.202   2.023  1.00  0.00           C  
HETATM    8  C   UNL     1       3.803   1.401   2.492  1.00  0.00           C  
HETATM    9  C   UNL     1       4.958   1.926   1.945  1.00  0.00           C  
HETATM   10  C   UNL     1       5.611   1.253   0.929  1.00  0.00           C  
HETATM   11  C   UNL     1       5.110   0.052   0.463  1.00  0.00           C  
HETATM   12  C   UNL     1       1.975  -2.817  -1.247  1.00  0.00           C  
HETATM   13  O   UNL     1       2.874  -3.663  -1.775  1.00  0.00           O  
HETATM   14  O   UNL     1       0.802  -3.105  -1.247  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.615  -0.631   1.300  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.921   0.617   0.797  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.111   1.169  -0.193  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.425   2.530  -0.757  1.00  0.00           C  
HETATM   19  C   UNL     1       0.683   3.584  -0.720  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.514   3.699   0.226  1.00  0.00           C  
HETATM   21  C   UNL     1       0.979   0.461  -0.657  1.00  0.00           C  
HETATM   22  S   UNL     1       2.002   1.153  -1.914  1.00  0.00           S  
HETATM   23  O   UNL     1       1.666   0.113  -3.164  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.119   1.373   1.311  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.297   1.125   0.404  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.566   1.981  -0.619  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.650   1.767  -1.467  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.472   0.696  -1.297  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.226  -0.211  -0.252  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.120   0.004   0.608  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.052  -1.329  -0.046  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.782  -2.186   0.976  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.698  -1.972   1.825  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.870  -0.906   1.649  1.00  0.00           C  
HETATM   35  H   UNL     1      -1.233  -1.074   2.068  1.00  0.00           H  
HETATM   36  H   UNL     1       2.879  -2.292   1.300  1.00  0.00           H  
HETATM   37  H   UNL     1       4.222  -2.402   0.138  1.00  0.00           H  
HETATM   38  H   UNL     1       2.397  -0.209   2.450  1.00  0.00           H  
HETATM   39  H   UNL     1       5.622  -0.476  -0.328  1.00  0.00           H  
HETATM   40  H   UNL     1       3.293   1.927   3.286  1.00  0.00           H  
HETATM   41  H   UNL     1       5.351   2.863   2.311  1.00  0.00           H  
HETATM   42  H   UNL     1       6.513   1.664   0.502  1.00  0.00           H  
HETATM   43  H   UNL     1       2.535  -4.490  -2.143  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.358   1.034   2.319  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.894   2.440   1.330  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.100   2.539  -1.613  1.00  0.00           H  
HETATM   47  H   UNL     1       1.640   3.293  -0.287  1.00  0.00           H  
HETATM   48  H   UNL     1       0.737   4.287  -1.551  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.247   4.478   0.016  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.345   3.484   1.281  1.00  0.00           H  
HETATM   51  H   UNL     1       2.139   0.317  -3.983  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.929   2.839  -0.775  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.842   2.463  -2.271  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.310   0.543  -1.962  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.896  -1.508  -0.695  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.033  -0.753   2.315  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.418  -3.045   1.133  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.506  -2.667   2.629  1.00  0.00           H  
HETATM   59  H   UNL     1       2.930  -0.916  -1.422  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   15                                       
CONECT    3    2    4   21                                            
CONECT    4    3    5   12   59                                       
CONECT    5    4    6   36   37                                       
CONECT    6    5    7   11   11                                       
CONECT    7    6    8    8   38                                       
CONECT    8    7    7    9   40                                       
CONECT    9    8   10   10   41                                       
CONECT   10    9    9   11   42                                       
CONECT   11    6    6   10   39                                       
CONECT   12    4   13   14   14                                       
CONECT   13   12   43                                                 
CONECT   14   12   12                                                 
CONECT   15    2   16   16   35                                       
CONECT   16   15   15   17   24                                       
CONECT   17   16   18   21   21                                       
CONECT   18   17   19   20   46                                       
CONECT   19   18   20   47   48                                       
CONECT   20   18   19   49   50                                       
CONECT   21    3   17   17   22                                       
CONECT   22   21   23                                                 
CONECT   23   22   51                                                 
CONECT   24   16   25   44   45                                       
CONECT   25   24   26   30   30                                       
CONECT   26   25   27   27   52                                       
CONECT   27   26   26   28   53                                       
CONECT   28   27   29   29   54                                       
CONECT   29   28   28   30   31                                       
CONECT   30   25   25   29   34                                       
CONECT   31   29   32   32   55                                       
CONECT   32   31   31   33   57                                       
CONECT   33   32   34   34   58                                       
CONECT   34   30   33   33   56                                       
CONECT   35   15                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39   11                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   13                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   23                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   31                                                      
CONECT   56   34                                                      
CONECT   57   32                                                      
CONECT   58   33                                                      
CONECT   59    4                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
