COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.641   2.156  -1.966  1.00  0.00           C  
HETATM    2  C   UNL     1       1.510   1.564  -1.070  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.446  -0.363  -0.794  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.158   0.402  -1.699  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.531   1.447  -2.563  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.103  -1.995  -0.424  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.594  -1.693  -0.262  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.495  -0.649   1.921  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.622   0.688   2.656  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.216   1.448   1.038  1.00  0.00           C  
HETATM   11  C   UNL     1       5.296   0.407   2.090  1.00  0.00           C  
HETATM   12  C   UNL     1       5.019  -0.108   0.860  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.524   0.184  -1.839  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.929  -3.366  -1.080  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.105   0.119   0.287  1.00  0.00           C  
HETATM   16  S   UNL     1       1.274  -0.096  -0.534  1.00  0.00           S  
HETATM   17  C   UNL     1      -3.164  -0.794  -1.099  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.442  -1.571  -0.205  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.088  -1.355  -0.055  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.501  -0.993  -1.247  1.00  0.00           O  
HETATM   21  N   UNL     1      -6.762  -0.442   0.490  1.00  0.00           N  
HETATM   22  O   UNL     1      -7.923   1.234   2.422  1.00  0.00           O  
HETATM   23  C   UNL     1       2.605   2.290  -0.566  1.00  0.00           C  
HETATM   24  C   UNL     1       2.806   3.612  -0.960  1.00  0.00           C  
HETATM   25  C   UNL     1       1.926   4.196  -1.846  1.00  0.00           C  
HETATM   26  C   UNL     1       0.858   3.476  -2.345  1.00  0.00           C  
HETATM   27  C   UNL     1       3.540   1.652   0.380  1.00  0.00           C  
HETATM   28  C   UNL     1       3.759   2.221   1.597  1.00  0.00           C  
HETATM   29  C   UNL     1       4.662   1.602   2.494  1.00  0.00           C  
HETATM   30  O   UNL     1       4.160   0.509   0.033  1.00  0.00           O  
HETATM   31  N   UNL     1       5.627  -1.273   0.460  1.00  0.00           N  
HETATM   32  C   UNL     1       5.968  -2.323   1.433  1.00  0.00           C  
HETATM   33  C   UNL     1       5.421  -3.658   0.916  1.00  0.00           C  
HETATM   34  O   UNL     1       5.873  -3.865  -0.424  1.00  0.00           O  
HETATM   35  C   UNL     1       5.410  -2.884  -1.356  1.00  0.00           C  
HETATM   36  C   UNL     1       5.951  -1.511  -0.956  1.00  0.00           C  
HETATM   37  O   UNL     1       4.888   2.090   3.592  1.00  0.00           O  
HETATM   38  H   UNL     1      -1.291   2.189  -2.808  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.209   0.976  -3.491  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.624  -1.996   0.555  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.053  -1.589  -1.246  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.074  -2.509   0.278  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.486  -1.041   2.050  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.216  -1.358   2.327  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.481   0.530   3.726  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.865   1.380   2.288  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.506   2.162   0.622  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.228   1.840   0.937  1.00  0.00           H  
HETATM   49  H   UNL     1       5.988  -0.095   2.750  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.093   0.786  -2.533  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.866  -3.581  -1.195  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.388  -4.130  -0.452  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.407  -3.364  -2.059  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.852  -0.578   0.667  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.272   0.287  -0.777  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.937  -2.340   0.370  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.522  -1.958   0.639  1.00  0.00           H  
HETATM   58  H   UNL     1       3.643   4.175  -0.573  1.00  0.00           H  
HETATM   59  H   UNL     1       2.073   5.221  -2.153  1.00  0.00           H  
HETATM   60  H   UNL     1       0.178   3.947  -3.040  1.00  0.00           H  
HETATM   61  H   UNL     1       3.252   3.134   1.873  1.00  0.00           H  
HETATM   62  H   UNL     1       7.050  -2.387   1.541  1.00  0.00           H  
HETATM   63  H   UNL     1       5.516  -2.090   2.398  1.00  0.00           H  
HETATM   64  H   UNL     1       5.779  -4.469   1.550  1.00  0.00           H  
HETATM   65  H   UNL     1       4.331  -3.637   0.934  1.00  0.00           H  
HETATM   66  H   UNL     1       5.760  -3.138  -2.356  1.00  0.00           H  
HETATM   67  H   UNL     1       4.320  -2.860  -1.347  1.00  0.00           H  
HETATM   68  H   UNL     1       5.488  -0.741  -1.573  1.00  0.00           H  
HETATM   69  H   UNL     1       7.032  -1.492  -1.093  1.00  0.00           H  
CONECT    1   26   26    2    5                                       
CONECT    2   23   23    1   16                                       
CONECT    3    4   16   19   19                                       
CONECT    4    5   13   13    3                                       
CONECT    5    1    4   38   39                                       
CONECT    6    7   20   14   40                                       
CONECT    7   21    6   41   42                                       
CONECT    8    9   21   43   44                                       
CONECT    9   22    8   45   46                                       
CONECT   10   22   15   47   48                                       
CONECT   11   29   12   12   49                                       
CONECT   12   30   11   11   31                                       
CONECT   13    4    4   17   50                                       
CONECT   14    6   51   52   53                                       
CONECT   15   10   21   54   55                                       
CONECT   16    2    3                                                 
CONECT   17   13   20   18   18                                       
CONECT   18   17   17   19   56                                       
CONECT   19    3    3   18   57                                       
CONECT   20    6   17                                                 
CONECT   21    8   15    7                                            
CONECT   22    9   10                                                 
CONECT   23   24   27    2    2                                       
CONECT   24   25   25   23   58                                       
CONECT   25   24   24   26   59                                       
CONECT   26   25    1    1   60                                       
CONECT   27   23   28   28   30                                       
CONECT   28   27   27   29   61                                       
CONECT   29   28   37   37   11                                       
CONECT   30   27   12                                                 
CONECT   31   12   36   32                                            
CONECT   32   31   33   62   63                                       
CONECT   33   32   34   64   65                                       
CONECT   34   35   33                                                 
CONECT   35   36   34   66   67                                       
CONECT   36   31   35   68   69                                       
CONECT   37   29   29                                                 
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   28                                                      
CONECT   62   32                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   33                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   36                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
