COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.650  -0.812   1.464  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.413  -1.095  -1.008  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.737  -1.449   0.164  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.345  -1.312   1.396  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.649   0.036   0.367  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.685  -0.612  -0.965  1.00  0.00           C  
HETATM    7  C   UNL     1       2.840   0.729   0.494  1.00  0.00           C  
HETATM    8  C   UNL     1       1.951   1.671   0.014  1.00  0.00           C  
HETATM    9  C   UNL     1       1.984   2.966   0.499  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.595  -0.157   2.680  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.326  -0.648   2.690  1.00  0.00           C  
HETATM   12  C   UNL     1       3.753   1.071   1.479  1.00  0.00           C  
HETATM   13  C   UNL     1       1.329   4.366  -1.868  1.00  0.00           C  
HETATM   14  C   UNL     1       1.000  -5.359  -1.848  1.00  0.00           C  
HETATM   15  C   UNL     1       0.057  -4.348  -1.905  1.00  0.00           C  
HETATM   16  C   UNL     1       0.235  -3.200  -1.153  1.00  0.00           C  
HETATM   17  C   UNL     1       1.353  -3.059  -0.357  1.00  0.00           C  
HETATM   18  C   UNL     1       2.292  -4.070  -0.303  1.00  0.00           C  
HETATM   19  C   UNL     1       2.115  -5.222  -1.044  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.780  -2.084  -1.214  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.434  -1.941   0.089  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.061  -0.805  -1.562  1.00  0.00           C  
HETATM   23  N   UNL     1      -7.216   0.161   1.552  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.330  -0.460   0.270  1.00  0.00           C  
HETATM   25  N   UNL     1      -7.346   0.384  -0.777  1.00  0.00           N  
HETATM   26  O   UNL     1       0.275  -0.577  -2.705  1.00  0.00           O  
HETATM   27  C   UNL     1       2.900   3.315   1.474  1.00  0.00           C  
HETATM   28  C   UNL     1       3.777   2.373   1.971  1.00  0.00           C  
HETATM   29  N   UNL     1       4.649   0.132   1.986  1.00  0.00           N  
HETATM   30  C   UNL     1       0.933   1.302  -1.033  1.00  0.00           C  
HETATM   31  N   UNL     1       0.206   0.095  -0.565  1.00  0.00           N  
HETATM   32  C   UNL     1      -0.190  -0.112   0.830  1.00  0.00           C  
HETATM   33  S   UNL     1       0.861   4.170  -0.126  1.00  0.00           S  
HETATM   34  O   UNL     1      -0.413   3.550  -0.019  1.00  0.00           O  
HETATM   35  O   UNL     1       1.166   5.348   0.607  1.00  0.00           O  
HETATM   36  C   UNL     1       0.528   5.362  -2.708  1.00  0.00           C  
HETATM   37  C   UNL     1       0.346   3.859  -2.925  1.00  0.00           C  
HETATM   38  C   UNL     1       3.519  -3.917   0.562  1.00  0.00           C  
HETATM   39  C   UNL     1       4.797  -1.104   1.504  1.00  0.00           C  
HETATM   40  O   UNL     1       4.082  -1.553   0.458  1.00  0.00           O  
HETATM   41  O   UNL     1       5.604  -1.847   2.027  1.00  0.00           O  
HETATM   42  C   UNL     1       4.438  -2.865  -0.060  1.00  0.00           C  
HETATM   43  H   UNL     1      -2.920  -1.210  -1.962  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.818  -1.587   2.298  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.194  -0.343  -1.879  1.00  0.00           H  
HETATM   46  H   UNL     1       2.820  -0.278   0.104  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.115  -0.031   3.618  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.845  -0.909   3.622  1.00  0.00           H  
HETATM   49  H   UNL     1       2.394   4.269  -2.082  1.00  0.00           H  
HETATM   50  H   UNL     1       0.864  -6.257  -2.433  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.818  -4.459  -2.529  1.00  0.00           H  
HETATM   52  H   UNL     1       1.491  -2.162   0.228  1.00  0.00           H  
HETATM   53  H   UNL     1       2.848  -6.014  -0.996  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.526  -2.308  -1.977  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.961  -2.188   0.899  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.253   0.721  -0.709  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.927   0.291  -1.648  1.00  0.00           H  
HETATM   58  H   UNL     1       2.926   4.327   1.850  1.00  0.00           H  
HETATM   59  H   UNL     1       4.485   2.648   2.739  1.00  0.00           H  
HETATM   60  H   UNL     1       5.202   0.394   2.739  1.00  0.00           H  
HETATM   61  H   UNL     1       0.231   2.124  -1.171  1.00  0.00           H  
HETATM   62  H   UNL     1       1.436   1.086  -1.976  1.00  0.00           H  
HETATM   63  H   UNL     1       0.200  -1.068   1.180  1.00  0.00           H  
HETATM   64  H   UNL     1       0.214   0.692   1.445  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.277  -0.114   0.903  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.281   5.901  -2.214  1.00  0.00           H  
HETATM   67  H   UNL     1       1.064   5.921  -3.474  1.00  0.00           H  
HETATM   68  H   UNL     1       0.764   3.428  -3.835  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.582   3.408  -2.574  1.00  0.00           H  
HETATM   70  H   UNL     1       3.223  -3.598   1.562  1.00  0.00           H  
HETATM   71  H   UNL     1       4.043  -4.870   0.622  1.00  0.00           H  
HETATM   72  H   UNL     1       5.474  -3.088   0.197  1.00  0.00           H  
HETATM   73  H   UNL     1       4.321  -2.873  -1.143  1.00  0.00           H  
CONECT    1    4    4   24   11                                       
CONECT    2    3    3    6   43                                       
CONECT    3   21    2    2    4                                       
CONECT    4    3    1    1   44                                       
CONECT    5   24   25   23   23                                       
CONECT    6    2   24   24   45                                       
CONECT    7   12   12    8   46                                       
CONECT    8    9    9    7   30                                       
CONECT    9   27   33    8    8                                       
CONECT   10   11   11   23   47                                       
CONECT   11    1   10   10   48                                       
CONECT   12   28   29    7    7                                       
CONECT   13   37   33   36   49                                       
CONECT   14   19   19   15   50                                       
CONECT   15   16   16   14   51                                       
CONECT   16   17   20   15   15                                       
CONECT   17   18   18   16   52                                       
CONECT   18   38   17   17   19                                       
CONECT   19   18   14   14   53                                       
CONECT   20   22   21   16   54                                       
CONECT   21   20    3   55                                            
CONECT   22   26   26   31   20                                       
CONECT   23    5    5   10                                            
CONECT   24    6    6    1    5                                       
CONECT   25    5   56   57                                            
CONECT   26   22   22                                                 
CONECT   27   28   28    9   58                                       
CONECT   28   27   27   12   59                                       
CONECT   29   12   39   60                                            
CONECT   30    8   31   61   62                                       
CONECT   31   30   22   32                                            
CONECT   32   31   63   64   65                                       
CONECT   33   34   34   13    9                                       
CONECT   33   35   35                                                 
CONECT   34   33   33                                                 
CONECT   35   33   33                                                 
CONECT   36   37   13   66   67                                       
CONECT   37   13   36   68   69                                       
CONECT   38   42   18   70   71                                       
CONECT   39   29   40   41   41                                       
CONECT   40   39   42                                                 
CONECT   41   39   39                                                 
CONECT   42   40   38   72   73                                       
CONECT   43    2                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   17                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   30                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
CONECT   70   38                                                      
CONECT   71   38                                                      
CONECT   72   42                                                      
CONECT   73   42                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
