COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.571   0.114   0.715  1.00  0.00           N  
HETATM    2  C   UNL     1       1.662  -0.789   1.434  1.00  0.00           C  
HETATM    3  C   UNL     1       2.098   1.458   0.357  1.00  0.00           C  
HETATM    4  C   UNL     1       0.368  -0.930   0.624  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.341  -2.689   0.952  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.356  -3.368   1.761  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.944  -4.510   0.973  1.00  0.00           C  
HETATM    8  S   UNL     1      -4.342  -4.396  -0.088  1.00  0.00           S  
HETATM    9  C   UNL     1      -3.184  -6.642   0.166  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.480  -5.761   0.969  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.866   2.147   0.131  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.942   2.171  -1.397  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.204   2.378   0.692  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.441   3.811   0.915  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.370   3.992   2.117  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.267   6.094   1.107  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.339   5.912  -0.096  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.091   4.420  -0.328  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.326   1.456  -3.350  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.658  -1.194  -2.145  1.00  0.00           C  
HETATM   21  C   UNL     1       5.759  -0.350  -0.797  1.00  0.00           C  
HETATM   22  C   UNL     1       5.695  -1.554   0.175  1.00  0.00           C  
HETATM   23  C   UNL     1       6.708  -1.393   1.311  1.00  0.00           C  
HETATM   24  C   UNL     1       7.100   0.333  -0.724  1.00  0.00           C  
HETATM   25  C   UNL     1       7.397   1.161   0.342  1.00  0.00           C  
HETATM   26  C   UNL     1       9.561   1.587  -0.590  1.00  0.00           C  
HETATM   27  C   UNL     1       0.801   1.322  -0.450  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.108   0.412   0.261  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.677  -1.629   1.455  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.919  -1.238   2.578  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.214  -6.104  -0.489  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.355   0.805   0.588  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.066   0.078   1.249  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.617   5.484   2.350  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.035   1.210  -1.868  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.419   0.495  -3.822  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.948  -0.948  -3.626  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.565  -0.233  -1.673  1.00  0.00           C  
HETATM   39  C   UNL     1       3.842  -0.290   0.387  1.00  0.00           C  
HETATM   40  O   UNL     1       4.717   0.497  -0.271  1.00  0.00           O  
HETATM   41  N   UNL     1       4.313  -1.463   0.684  1.00  0.00           N  
HETATM   42  C   UNL     1       8.627   1.788   0.409  1.00  0.00           C  
HETATM   43  C   UNL     1       9.266   0.755  -1.654  1.00  0.00           C  
HETATM   44  C   UNL     1       8.036   0.128  -1.721  1.00  0.00           C  
HETATM   45  H   UNL     1       2.131  -1.767   1.548  1.00  0.00           H  
HETATM   46  H   UNL     1       1.438  -0.375   2.418  1.00  0.00           H  
HETATM   47  H   UNL     1       1.905   2.032   1.264  1.00  0.00           H  
HETATM   48  H   UNL     1       2.854   1.965  -0.242  1.00  0.00           H  
HETATM   49  H   UNL     1       0.563  -1.508  -0.280  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.146  -3.001   0.055  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.897  -3.753   2.671  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.145  -2.663   2.022  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.915  -7.683   0.071  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.620  -6.063   1.547  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.189   2.930   0.474  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.177   3.181  -1.733  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.983   1.863  -1.813  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.335   1.853   1.543  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.492   4.310   1.111  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.319   3.493   1.922  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.907   3.558   3.003  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.443   7.156   1.273  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.216   5.594   0.911  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.802   6.346  -0.982  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.389   6.411   0.100  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.430   4.291  -1.185  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.041   3.921  -0.524  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.661   2.484  -3.489  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.419   1.288  -3.931  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.564  -1.026  -1.564  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.322  -2.221  -2.006  1.00  0.00           H  
HETATM   72  H   UNL     1       5.535  -0.660  -1.818  1.00  0.00           H  
HETATM   73  H   UNL     1       5.854  -2.492  -0.356  1.00  0.00           H  
HETATM   74  H   UNL     1       6.489  -0.482   1.867  1.00  0.00           H  
HETATM   75  H   UNL     1       6.643  -2.252   1.980  1.00  0.00           H  
HETATM   76  H   UNL     1       7.714  -1.332   0.895  1.00  0.00           H  
HETATM   77  H   UNL     1       6.668   1.318   1.123  1.00  0.00           H  
HETATM   78  H   UNL     1      10.522   2.077  -0.538  1.00  0.00           H  
HETATM   79  H   UNL     1       0.328   2.298  -0.562  1.00  0.00           H  
HETATM   80  H   UNL     1       1.035   0.912  -1.432  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.872  -6.637  -1.160  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.279   5.614   3.207  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.668   5.983   2.546  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.942   1.378  -1.287  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.326   0.663  -3.241  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.626   0.670  -4.877  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.042  -1.116  -4.207  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.727  -1.633  -3.962  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.357  -0.408  -0.618  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.658  -0.401  -2.254  1.00  0.00           H  
HETATM   91  H   UNL     1       8.859   2.436   1.242  1.00  0.00           H  
HETATM   92  H   UNL     1       9.997   0.595  -2.433  1.00  0.00           H  
HETATM   93  H   UNL     1       7.806  -0.523  -2.552  1.00  0.00           H  
CONECT    1    3    2   39                                            
CONECT    2    4    1   45   46                                       
CONECT    3   27    1   47   48                                       
CONECT    4   28   29    2   49                                       
CONECT    5   29    6   50                                            
CONECT    6    7    5   51   52                                       
CONECT    7    8   10   10    6                                       
CONECT    8   31    7                                                 
CONECT    9   31   31   10   53                                       
CONECT   10    9    7    7   54                                       
CONECT   11   13   12   32   55                                       
CONECT   12   11   35   56   57                                       
CONECT   13   14   11   58                                            
CONECT   14   15   13   18   59                                       
CONECT   15   34   14   60   61                                       
CONECT   16   34   17   62   63                                       
CONECT   17   16   18   64   65                                       
CONECT   18   14   17   66   67                                       
CONECT   19   35   36   68   69                                       
CONECT   20   38   37   70   71                                       
CONECT   21   22   40   24   72                                       
CONECT   22   41   23   21   73                                       
CONECT   23   22   74   75   76                                       
CONECT   24   21   25   25   44                                       
CONECT   25   24   24   42   77                                       
CONECT   26   42   42   43   78                                       
CONECT   27   28    3   79   80                                       
CONECT   28   32   27    4                                            
CONECT   29   30   30    4    5                                       
CONECT   30   29   29                                                 
CONECT   31    8    9    9   81                                       
CONECT   32   11   33   33   28                                       
CONECT   33   32   32                                                 
CONECT   34   15   16   82   83                                       
CONECT   35   12   38   19   84                                       
CONECT   36   19   37   85   86                                       
CONECT   37   20   36   87   88                                       
CONECT   38   35   20   89   90                                       
CONECT   39    1   41   41   40                                       
CONECT   40   39   21                                                 
CONECT   41   39   39   22                                            
CONECT   42   25   26   26   91                                       
CONECT   43   44   44   26   92                                       
CONECT   44   24   43   43   93                                       
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   23                                                      
CONECT   76   23                                                      
CONECT   77   25                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   27                                                      
CONECT   81   31                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   37                                                      
CONECT   89   38                                                      
CONECT   90   38                                                      
CONECT   91   42                                                      
CONECT   92   43                                                      
CONECT   93   44                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
