COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.161   2.648   0.740  1.00  0.00           C  
HETATM    2  C   UNL     1       8.040   3.192   1.338  1.00  0.00           C  
HETATM    3  C   UNL     1       6.815   2.564   1.212  1.00  0.00           C  
HETATM    4  C   UNL     1       5.376   0.706   0.350  1.00  0.00           C  
HETATM    5  C   UNL     1       2.106   0.706  -0.083  1.00  0.00           C  
HETATM    6  C   UNL     1       0.715   0.619  -0.656  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.709   0.686  -0.410  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.019   1.050   1.479  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.410   0.963   0.905  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.032   2.103   0.430  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.965   0.802  -0.148  1.00  0.00           C  
HETATM   12  C   UNL     1     -10.332   0.716  -0.712  1.00  0.00           C  
HETATM   13  N   UNL     1     -10.956   1.851  -1.181  1.00  0.00           N  
HETATM   14  C   UNL     1       2.287  -0.377   0.983  1.00  0.00           C  
HETATM   15  C   UNL     1       2.120  -2.741   1.338  1.00  0.00           C  
HETATM   16  C   UNL     1       1.775  -4.033   0.642  1.00  0.00           C  
HETATM   17  C   UNL     1       0.472  -4.492   0.645  1.00  0.00           C  
HETATM   18  C   UNL     1       0.154  -5.675   0.003  1.00  0.00           C  
HETATM   19  C   UNL     1       6.711   1.391   0.487  1.00  0.00           C  
HETATM   20  S   UNL     1       4.522   1.335  -1.122  1.00  0.00           S  
HETATM   21  N   UNL     1       3.088   0.508  -1.152  1.00  0.00           N  
HETATM   22  O   UNL     1       1.982  -1.654   0.421  1.00  0.00           O  
HETATM   23  C   UNL     1       2.761  -4.755  -0.003  1.00  0.00           C  
HETATM   24  C   UNL     1       2.445  -5.939  -0.641  1.00  0.00           C  
HETATM   25  C   UNL     1       1.140  -6.397  -0.643  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.356   0.771   0.148  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.719   0.889   0.690  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.037   0.852   0.410  1.00  0.00           N  
HETATM   29  C   UNL     1      -7.057  -0.259   0.851  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.330  -0.345   0.327  1.00  0.00           C  
HETATM   31  N   UNL     1     -10.943  -0.433  -0.764  1.00  0.00           N  
HETATM   32  C   UNL     1      -8.305   2.030  -0.096  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.346   1.086   1.827  1.00  0.00           O  
HETATM   34  O   UNL     1       0.559   0.412  -1.841  1.00  0.00           O  
HETATM   35  O   UNL     1       4.141   2.691  -0.936  1.00  0.00           O  
HETATM   36  O   UNL     1       5.192   0.918  -2.303  1.00  0.00           O  
HETATM   37  C   UNL     1       7.832   0.848  -0.112  1.00  0.00           C  
HETATM   38  C   UNL     1       9.056   1.479   0.010  1.00  0.00           C  
HETATM   39  H   UNL     1      10.118   3.139   0.839  1.00  0.00           H  
HETATM   40  H   UNL     1       8.121   4.108   1.905  1.00  0.00           H  
HETATM   41  H   UNL     1       5.939   2.989   1.680  1.00  0.00           H  
HETATM   42  H   UNL     1       5.528  -0.369   0.250  1.00  0.00           H  
HETATM   43  H   UNL     1       4.772   0.907   1.234  1.00  0.00           H  
HETATM   44  H   UNL     1       2.252   1.688   0.368  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.838   1.457  -1.169  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.855  -0.296  -0.860  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.872   2.032   1.929  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.889   0.279   2.238  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.520   3.053   0.471  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.501   2.707  -1.142  1.00  0.00           H  
HETATM   51  H   UNL     1     -11.851   1.795  -1.550  1.00  0.00           H  
HETATM   52  H   UNL     1       3.319  -0.371   1.334  1.00  0.00           H  
HETATM   53  H   UNL     1       1.617  -0.178   1.820  1.00  0.00           H  
HETATM   54  H   UNL     1       1.447  -2.592   2.182  1.00  0.00           H  
HETATM   55  H   UNL     1       3.149  -2.785   1.697  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.299  -3.928   1.150  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.864  -6.034   0.006  1.00  0.00           H  
HETATM   58  H   UNL     1       2.898  -0.107  -1.878  1.00  0.00           H  
HETATM   59  H   UNL     1       3.779  -4.393  -0.009  1.00  0.00           H  
HETATM   60  H   UNL     1       3.216  -6.504  -1.146  1.00  0.00           H  
HETATM   61  H   UNL     1       0.893  -7.321  -1.144  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.232   0.936   1.095  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.335   0.695  -0.500  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.564  -1.146   1.220  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.835  -1.299   0.286  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.839  -0.489  -1.133  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.790   2.921  -0.466  1.00  0.00           H  
HETATM   68  H   UNL     1       7.751  -0.068  -0.679  1.00  0.00           H  
HETATM   69  H   UNL     1       9.932   1.054  -0.458  1.00  0.00           H  
CONECT    1   38   38    2   39                                       
CONECT    2    3    3    1   40                                       
CONECT    3   19    2    2   41                                       
CONECT    4   20   19   42   43                                       
CONECT    5   14    6   21   44                                       
CONECT    6   26    5   34   34                                       
CONECT    7   26   27   45   46                                       
CONECT    8   28    9   47   48                                       
CONECT    9    8   29   29   10                                       
CONECT   10    9   32   32   49                                       
CONECT   11   30   30   32   12                                       
CONECT   12   11   31   31   13                                       
CONECT   13   12   50   51                                            
CONECT   14   22    5   52   53                                       
CONECT   15   16   22   54   55                                       
CONECT   16   17   17   23   15                                       
CONECT   17   18   16   16   56                                       
CONECT   18   25   25   17   57                                       
CONECT   19    4   37   37    3                                       
CONECT   20   21   35   35    4                                       
CONECT   20   36   36                                                 
CONECT   21    5   20   58                                            
CONECT   22   14   15                                                 
CONECT   23   24   24   16   59                                       
CONECT   24   25   23   23   60                                       
CONECT   25   18   18   24   61                                       
CONECT   26    7    6   62                                            
CONECT   27    7   28   33   33                                       
CONECT   28   27    8   63                                            
CONECT   29    9    9   30   64                                       
CONECT   30   29   11   11   65                                       
CONECT   31   12   12   66                                            
CONECT   32   10   10   11   67                                       
CONECT   33   27   27                                                 
CONECT   34    6    6                                                 
CONECT   35   20   20                                                 
CONECT   36   20   20                                                 
CONECT   37   19   19   38   68                                       
CONECT   38   37    1    1   69                                       
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49   10                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   21                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   37                                                      
CONECT   69   38                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
