COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.543   0.949   0.229  1.00  0.00           C  
HETATM    2  C   UNL     1       3.908   1.760  -0.851  1.00  0.00           C  
HETATM    3  N   UNL     1       3.227   2.837  -1.159  1.00  0.00           N  
HETATM    4  C   UNL     1       2.158   3.229  -0.456  1.00  0.00           C  
HETATM    5  C   UNL     1       1.704   2.433   0.618  1.00  0.00           C  
HETATM    6  C   UNL     1       2.418   1.286   0.978  1.00  0.00           C  
HETATM    7  C   UNL     1       1.501   4.479  -0.795  1.00  0.00           C  
HETATM    8  C   UNL     1       0.201   4.726  -0.812  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.876   3.803  -0.497  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.776   2.899   0.581  1.00  0.00           C  
HETATM   11  C   UNL     1       0.478   2.797   1.342  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.048   3.809  -1.271  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.089   2.971  -0.952  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.001   2.113   0.137  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.857   2.073   0.901  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.165   1.220   0.483  1.00  0.00           C  
HETATM   17  S   UNL     1      -3.996  -0.360  -0.392  1.00  0.00           S  
HETATM   18  N   UNL     1      -5.324  -1.234   0.072  1.00  0.00           N  
HETATM   19  O   UNL     1       0.500   3.010   2.541  1.00  0.00           O  
HETATM   20  O   UNL     1      -4.169  -0.176  -1.791  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.894  -1.098   0.119  1.00  0.00           O  
HETATM   22  C   UNL     1       4.338  -0.257   0.567  1.00  0.00           C  
HETATM   23  C   UNL     1       5.459  -0.692  -0.080  1.00  0.00           C  
HETATM   24  N   UNL     1       5.878  -1.813   0.540  1.00  0.00           N  
HETATM   25  N   UNL     1       5.001  -2.083   1.597  1.00  0.00           N  
HETATM   26  C   UNL     1       4.079  -1.158   1.619  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.666  -0.783  -0.303  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.650  -1.905  -0.094  1.00  0.00           C  
HETATM   29  N   UNL     1      -7.821  -2.806  -1.042  1.00  0.00           N  
HETATM   30  C   UNL     1      -8.671  -3.805  -0.903  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.418  -3.942   0.252  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.265  -3.013   1.270  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.358  -1.981   1.090  1.00  0.00           C  
HETATM   34  C   UNL     1       7.050  -2.611   0.172  1.00  0.00           C  
HETATM   35  C   UNL     1       8.300  -2.018   0.828  1.00  0.00           C  
HETATM   36  C   UNL     1       9.529  -2.818   0.391  1.00  0.00           C  
HETATM   37  N   UNL     1       9.652  -2.769  -1.072  1.00  0.00           N  
HETATM   38  C   UNL     1       8.484  -3.376  -1.724  1.00  0.00           C  
HETATM   39  C   UNL     1       7.225  -2.592  -1.349  1.00  0.00           C  
HETATM   40  H   UNL     1       4.771   1.494  -1.444  1.00  0.00           H  
HETATM   41  H   UNL     1       2.105   0.677   1.814  1.00  0.00           H  
HETATM   42  H   UNL     1       2.147   5.301  -1.064  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.092   5.727  -1.091  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.131   4.474  -2.118  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.986   2.979  -1.554  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.795   1.404   1.747  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.178   1.040   1.558  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.095   1.703   0.184  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.213  -2.044   0.594  1.00  0.00           H  
HETATM   50  H   UNL     1       5.924  -0.223  -0.934  1.00  0.00           H  
HETATM   51  H   UNL     1       3.263  -1.092   2.324  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.949   0.069   0.315  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.669  -0.487  -1.353  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.785  -4.524  -1.701  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.113  -4.762   0.359  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.836  -3.095   2.183  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.209  -1.242   1.864  1.00  0.00           H  
HETATM   58  H   UNL     1       6.913  -3.638   0.511  1.00  0.00           H  
HETATM   59  H   UNL     1       8.415  -0.978   0.520  1.00  0.00           H  
HETATM   60  H   UNL     1       8.200  -2.067   1.912  1.00  0.00           H  
HETATM   61  H   UNL     1      10.422  -2.390   0.845  1.00  0.00           H  
HETATM   62  H   UNL     1       9.420  -3.855   0.711  1.00  0.00           H  
HETATM   63  H   UNL     1      10.507  -3.209  -1.378  1.00  0.00           H  
HETATM   64  H   UNL     1       8.619  -3.352  -2.805  1.00  0.00           H  
HETATM   65  H   UNL     1       8.380  -4.409  -1.393  1.00  0.00           H  
HETATM   66  H   UNL     1       6.356  -3.052  -1.821  1.00  0.00           H  
HETATM   67  H   UNL     1       7.322  -1.561  -1.692  1.00  0.00           H  
CONECT    1   22    2    2    6                                       
CONECT    2    1    1    3   40                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    7    5                                       
CONECT    5    6    6    4   11                                       
CONECT    6    1    5    5   41                                       
CONECT    7    4    8    8   42                                       
CONECT    8    7    7    9   43                                       
CONECT    9    8   10   10   12                                       
CONECT   10   11    9    9   15                                       
CONECT   11    5   10   19   19                                       
CONECT   12    9   13   13   44                                       
CONECT   13   12   12   14   45                                       
CONECT   14   15   15   13   16                                       
CONECT   15   10   14   14   46                                       
CONECT   16   17   14   47   48                                       
CONECT   17   21   21   20   20                                       
CONECT   17   18   16                                                 
CONECT   18   17   27   49                                            
CONECT   19   11   11                                                 
CONECT   20   17   17                                                 
CONECT   21   17   17                                                 
CONECT   22   23   23   26    1                                       
CONECT   23   24   22   22   50                                       
CONECT   24   34   23   25                                            
CONECT   25   24   26   26                                            
CONECT   26   25   25   22   51                                       
CONECT   27   18   28   52   53                                       
CONECT   28   27   29   29   33                                       
CONECT   29   28   28   30                                            
CONECT   30   29   31   31   54                                       
CONECT   31   30   30   32   55                                       
CONECT   32   33   33   31   56                                       
CONECT   33   28   32   32   57                                       
CONECT   34   39   35   24   58                                       
CONECT   35   36   34   59   60                                       
CONECT   36   37   35   61   62                                       
CONECT   37   38   36   63                                            
CONECT   38   37   39   64   65                                       
CONECT   39   38   34   66   67                                       
CONECT   40    2                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   18                                                      
CONECT   50   23                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
CONECT   57   33                                                      
CONECT   58   34                                                      
CONECT   59   35                                                      
CONECT   60   35                                                      
CONECT   61   36                                                      
CONECT   62   36                                                      
CONECT   63   37                                                      
CONECT   64   38                                                      
CONECT   65   38                                                      
CONECT   66   39                                                      
CONECT   67   39                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
