COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.481   0.232   0.222  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.901  -0.188   0.035  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.271  -0.530  -0.417  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.155  -0.326   0.510  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.327   0.631  -1.412  1.00  0.00           C  
HETATM    6  O   UNL     1       1.683  -0.271   2.021  1.00  0.00           O  
HETATM    7  C   UNL     1       1.659   0.010   0.839  1.00  0.00           C  
HETATM    8  O   UNL     1       2.810   0.099   0.145  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.176   3.122   3.328  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.051   0.677   3.822  1.00  0.00           C  
HETATM   11  N   UNL     1      -5.730   3.875  -1.351  1.00  0.00           N  
HETATM   12  C   UNL     1       0.033   1.734   2.720  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.683  -0.323  -1.150  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.051   1.467   1.674  1.00  0.00           C  
HETATM   15  O   UNL     1      -5.147  -2.032  -2.096  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.770   0.134   0.977  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.616   1.932  -0.661  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.032   1.893  -0.036  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.667   3.099  -1.622  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.491   3.358  -0.207  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.865   3.304  -2.509  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.069  -1.843  -1.177  1.00  0.00           C  
HETATM   23  C   UNL     1       4.040  -0.153   0.874  1.00  0.00           C  
HETATM   24  C   UNL     1       5.233  -0.006  -0.073  1.00  0.00           C  
HETATM   25  C   UNL     1       8.011  -0.110  -0.396  1.00  0.00           C  
HETATM   26  C   UNL     1       7.652   0.227  -1.696  1.00  0.00           C  
HETATM   27  C   UNL     1       8.627   0.397  -2.658  1.00  0.00           C  
HETATM   28  C   UNL     1       9.961   0.233  -2.329  1.00  0.00           C  
HETATM   29  C   UNL     1      10.322  -0.102  -1.037  1.00  0.00           C  
HETATM   30  C   UNL     1       9.352  -0.273  -0.069  1.00  0.00           C  
HETATM   31  S   UNL     1       6.770  -0.320   0.837  1.00  0.00           S  
HETATM   32  S   UNL     1      -4.028  -3.223  -0.001  1.00  0.00           S  
HETATM   33  H   UNL     1       0.463   0.460  -0.720  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.205  -0.575   0.142  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.319  -0.291   1.465  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.370   0.715  -1.927  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.117   0.448  -2.140  1.00  0.00           H  
HETATM   38  H   UNL     1       0.596   3.313   4.074  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.117   3.876   2.543  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.157   3.168   3.802  1.00  0.00           H  
HETATM   41  H   UNL     1       0.099  -0.312   3.389  1.00  0.00           H  
HETATM   42  H   UNL     1       0.722   0.867   4.568  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.031   0.722   4.295  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.963   4.677  -1.846  1.00  0.00           H  
HETATM   45  H   UNL     1       1.014   1.689   2.247  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.024   1.424   2.162  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.049   2.270   0.936  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.230  -1.330  -2.756  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.684  -0.655   1.724  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.864   2.102   0.110  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.682   1.213  -0.586  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.985   1.619   1.018  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.262   3.933   0.690  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.559   3.396  -0.419  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.128  -1.804  -1.725  1.00  0.00           H  
HETATM   56  H   UNL     1       4.133   0.565   1.689  1.00  0.00           H  
HETATM   57  H   UNL     1       4.021  -1.164   1.281  1.00  0.00           H  
HETATM   58  H   UNL     1       5.140  -0.724  -0.888  1.00  0.00           H  
HETATM   59  H   UNL     1       5.252   1.005  -0.480  1.00  0.00           H  
HETATM   60  H   UNL     1       6.610   0.354  -1.953  1.00  0.00           H  
HETATM   61  H   UNL     1       8.349   0.658  -3.668  1.00  0.00           H  
HETATM   62  H   UNL     1      10.722   0.366  -3.084  1.00  0.00           H  
HETATM   63  H   UNL     1      11.364  -0.230  -0.785  1.00  0.00           H  
HETATM   64  H   UNL     1       9.635  -0.534   0.939  1.00  0.00           H  
HETATM   65  O   UNL     1      -2.830  -2.926   0.890  1.00  0.00           O  
HETATM   66  O   UNL     1      -5.142  -3.161   0.879  1.00  0.00           O  
HETATM   67  O   UNL     1      -3.682  -4.432  -0.662  1.00  0.00           O  
HETATM   68  H   UNL     1      -2.679  -3.588   1.579  1.00  0.00           H  
CONECT    1   16    7   33                                            
CONECT    2   16   13   13    4                                       
CONECT    3    4   22    5   34                                       
CONECT    4    2    3   35                                            
CONECT    5    3   17   36   37                                       
CONECT    6    7    7                                                 
CONECT    7    1    8    6    6                                       
CONECT    8   23    7                                                 
CONECT    9   12   38   39   40                                       
CONECT   10   12   41   42   43                                       
CONECT   11   20   19   44                                            
CONECT   12    9   10   14   45                                       
CONECT   13    2    2                                                 
CONECT   14   12   16   46   47                                       
CONECT   15   22   48                                                 
CONECT   16   14    1    2   49                                       
CONECT   17    5   18   19   50                                       
CONECT   18   17   20   51   52                                       
CONECT   19   17   21   21   11                                       
CONECT   20   18   11   53   54                                       
CONECT   21   19   19                                                 
CONECT   22   15   32    3   55                                       
CONECT   23   24    8   56   57                                       
CONECT   24   31   23   58   59                                       
CONECT   25   26   31   30   30                                       
CONECT   26   27   27   25   60                                       
CONECT   27   26   26   28   61                                       
CONECT   28   27   29   29   62                                       
CONECT   29   28   28   30   63                                       
CONECT   30   25   25   29   64                                       
CONECT   31   25   24                                                 
CONECT   32   22   65   66   66                                       
CONECT   32   67   67                                                 
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   32   68                                                 
CONECT   66   32   32                                                 
CONECT   67   32   32                                                 
CONECT   68   65                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
