COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.800  -1.452  -0.123  1.00  0.00           C  
HETATM    2  C   UNL     1       2.369  -2.851   0.127  1.00  0.00           C  
HETATM    3  C   UNL     1       2.630  -0.423   0.648  1.00  0.00           C  
HETATM    4  C   UNL     1       3.839  -2.879  -0.298  1.00  0.00           C  
HETATM    5  C   UNL     1       4.610  -1.809   0.479  1.00  0.00           C  
HETATM    6  C   UNL     1       4.828   0.577   0.823  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.718  -0.518  -0.594  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.873  -1.697  -0.202  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.510  -1.725  -0.576  1.00  0.00           C  
HETATM   10  C   UNL     1       6.183   0.634   0.167  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.179  -0.843  -0.459  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.385  -2.724   0.498  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.386   0.650   0.298  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.598  -1.904   0.251  1.00  0.00           C  
HETATM   15  C   UNL     1       6.384   1.441  -0.937  1.00  0.00           C  
HETATM   16  C   UNL     1       7.228  -0.118   0.673  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.497  -3.882   0.878  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.911   1.820  -0.252  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.564   0.545   1.668  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.134  -0.013  -1.091  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.074  -2.186   0.367  1.00  0.00           C  
HETATM   22  C   UNL     1       7.627   1.493  -1.539  1.00  0.00           C  
HETATM   23  C   UNL     1       8.471  -0.065   0.071  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.601   2.908   0.582  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.262   1.612   2.499  1.00  0.00           C  
HETATM   26  C   UNL     1       8.670   0.737  -1.037  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.781   2.788   1.971  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.732   1.736  -1.083  1.00  0.00           C  
HETATM   29  N   UNL     1       4.029  -0.489   0.205  1.00  0.00           N  
HETATM   30  N   UNL     1      -3.702  -2.732   0.869  1.00  0.00           N  
HETATM   31  N   UNL     1      -1.137   4.054   0.055  1.00  0.00           N1+
HETATM   32  O   UNL     1       0.443  -1.401   0.323  1.00  0.00           O  
HETATM   33  O   UNL     1      -0.196  -2.043  -1.708  1.00  0.00           O  
HETATM   34  O   UNL     1      -5.781   0.934  -0.380  1.00  0.00           O  
HETATM   35  O   UNL     1      -5.371  -0.152  -2.277  1.00  0.00           O  
HETATM   36  O   UNL     1      -0.870   4.994   0.782  1.00  0.00           O  
HETATM   37  O   UNL     1      -0.983   4.153  -1.149  1.00  0.00           O  
HETATM   38  H   UNL     1       1.841  -1.227  -1.189  1.00  0.00           H  
HETATM   39  H   UNL     1       2.291  -3.091   1.188  1.00  0.00           H  
HETATM   40  H   UNL     1       1.806  -3.582  -0.453  1.00  0.00           H  
HETATM   41  H   UNL     1       2.237   0.576   0.461  1.00  0.00           H  
HETATM   42  H   UNL     1       2.577  -0.640   1.715  1.00  0.00           H  
HETATM   43  H   UNL     1       4.262  -3.861  -0.082  1.00  0.00           H  
HETATM   44  H   UNL     1       3.913  -2.678  -1.367  1.00  0.00           H  
HETATM   45  H   UNL     1       4.548  -2.020   1.546  1.00  0.00           H  
HETATM   46  H   UNL     1       5.655  -1.817   0.168  1.00  0.00           H  
HETATM   47  H   UNL     1       4.947   0.371   1.887  1.00  0.00           H  
HETATM   48  H   UNL     1       4.321   1.533   0.693  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.504  -0.252  -1.629  1.00  0.00           H  
HETATM   50  H   UNL     1       5.569   2.032  -1.329  1.00  0.00           H  
HETATM   51  H   UNL     1       7.072  -0.745   1.538  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.098  -3.720   1.879  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.077  -4.804   0.862  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.675  -3.957   0.166  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.777   1.901  -1.321  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.941  -0.374   2.091  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.406  -2.753  -0.503  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.264  -2.764   1.271  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.621  -1.244   0.417  1.00  0.00           H  
HETATM   60  H   UNL     1       7.783   2.124  -2.401  1.00  0.00           H  
HETATM   61  H   UNL     1       9.287  -0.652   0.466  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.405   1.520   3.566  1.00  0.00           H  
HETATM   63  H   UNL     1       9.641   0.777  -1.508  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.545   3.618   2.621  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.179   2.455  -0.396  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.231   2.269  -1.891  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.511   1.097  -1.498  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.001  -3.328   1.574  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.539   5.798   0.357  1.00  0.00           H  
CONECT    1    3   32    2   38                                       
CONECT    2    1    4   39   40                                       
CONECT    3   29    1   41   42                                       
CONECT    4    5    2   43   44                                       
CONECT    5   29    4   45   46                                       
CONECT    6   10   29   47   48                                       
CONECT    7   11   13    8   49                                       
CONECT    8    7    9   12   12                                       
CONECT    9   32    8   33   33                                       
CONECT   10   15   15   16    6                                       
CONECT   11   20   14   14    7                                       
CONECT   12   30    8    8   17                                       
CONECT   13   18    7   19   19                                       
CONECT   14   21   11   11   30                                       
CONECT   15   22   10   10   50                                       
CONECT   16   23   23   10   51                                       
CONECT   17   12   52   53   54                                       
CONECT   18   24   24   13   55                                       
CONECT   19   13   13   25   56                                       
CONECT   20   34   35   35   11                                       
CONECT   21   14   57   58   59                                       
CONECT   22   26   26   15   60                                       
CONECT   23   26   16   16   61                                       
CONECT   24   31   18   18   27                                       
CONECT   25   27   27   19   62                                       
CONECT   26   22   22   23   63                                       
CONECT   27   24   25   25   64                                       
CONECT   28   34   65   66   67                                       
CONECT   29    6    3    5                                            
CONECT   30   14   12   68                                            
CONECT   31   36   37   37   24                                       
CONECT   32    1    9                                                 
CONECT   33    9    9                                                 
CONECT   34   28   20                                                 
CONECT   35   20   20                                                 
CONECT   36   31   69                                                 
CONECT   37   31   31                                                 
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   28                                                      
CONECT   68   30                                                      
CONECT   69   36                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
