COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.614   2.598  -1.638  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.647   1.400  -1.707  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.614   0.566  -0.814  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.519  -0.387   1.520  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.560  -1.061   1.807  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.798  -1.572   2.233  1.00  0.00           C  
HETATM    7  N   UNL     1       8.477   2.642   1.832  1.00  0.00           N  
HETATM    8  N   UNL     1       8.128   0.535   0.945  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.265   1.818  -1.200  1.00  0.00           C  
HETATM   10  C   UNL     1       0.020   1.072  -0.904  1.00  0.00           C  
HETATM   11  C   UNL     1       0.973  -0.106  -1.108  1.00  0.00           C  
HETATM   12  C   UNL     1       3.387   0.552  -0.248  1.00  0.00           C  
HETATM   13  C   UNL     1       6.332   2.058   1.067  1.00  0.00           C  
HETATM   14  C   UNL     1       8.912   1.443   1.488  1.00  0.00           C  
HETATM   15  C   UNL     1       6.845   0.795   0.719  1.00  0.00           C  
HETATM   16  C1* UNL     1       5.842  -1.284  -0.322  1.00  0.00           C  
HETATM   17  C2* UNL     1       5.172  -2.260   0.678  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.761   2.106  -0.721  1.00  0.00           C  
HETATM   19  C   UNL     1       2.316   0.260  -0.630  1.00  0.00           C  
HETATM   20  C   UNL     1       4.694   0.908   0.217  1.00  0.00           C  
HETATM   21  C   UNL     1       7.210   2.994   1.644  1.00  0.00           C  
HETATM   22  C3* UNL     1       4.755  -3.432  -0.242  1.00  0.00           C  
HETATM   23  C4* UNL     1       4.720  -2.812  -1.652  1.00  0.00           C  
HETATM   24  C5* UNL     1       3.324  -2.974  -2.258  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.712  -0.954   0.206  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.483  -0.494   0.523  1.00  0.00           C  
HETATM   27  N   UNL     1      -6.183  -0.082   0.369  1.00  0.00           N  
HETATM   28  N   UNL     1       5.795   0.089   0.186  1.00  0.00           N  
HETATM   29  N   UNL     1       6.764   4.252   2.008  1.00  0.00           N  
HETATM   30  N   UNL     1      -6.329  -0.961   2.362  1.00  0.00           N  
HETATM   31  N   UNL     1      -8.935  -2.142   3.486  1.00  0.00           N  
HETATM   32  N   UNL     1      -9.834  -1.495   1.404  1.00  0.00           N  
HETATM   33  N   UNL     1      -8.574  -0.461  -0.235  1.00  0.00           N  
HETATM   34  N   UNL     1      -1.321   0.707  -1.381  1.00  0.00           N  
HETATM   35  N   UNL     1       5.021   2.067   0.739  1.00  0.00           N  
HETATM   36  O   UNL     1      -7.031   2.529  -1.222  1.00  0.00           O  
HETATM   37  O   UNL     1      -4.185   0.367  -0.866  1.00  0.00           O  
HETATM   38  O2* UNL     1       6.105  -2.696   1.669  1.00  0.00           O  
HETATM   39  O3* UNL     1       5.721  -4.484  -0.182  1.00  0.00           O  
HETATM   40  O5* UNL     1       3.332  -2.501  -3.606  1.00  0.00           O  
HETATM   41  O4* UNL     1       5.037  -1.417  -1.513  1.00  0.00           O  
HETATM   42  O   UNL     1      -5.112   2.915  -2.939  1.00  0.00           O  
HETATM   43  H   UNL     1      -4.119   3.464  -1.198  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.572   1.043  -2.734  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.087   0.190  -1.722  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.474  -0.185   1.704  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.918   2.685  -1.762  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.328   2.072  -0.142  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.028   1.322   0.157  1.00  0.00           H  
HETATM   50  H   UNL     1       0.382   1.934  -1.464  1.00  0.00           H  
HETATM   51  H   UNL     1       0.610  -0.969  -0.548  1.00  0.00           H  
HETATM   52  H   UNL     1       1.020  -0.356  -2.168  1.00  0.00           H  
HETATM   53  H   UNL     1       9.950   1.198   1.658  1.00  0.00           H  
HETATM   54  H1* UNL     1       6.872  -1.584  -0.519  1.00  0.00           H  
HETATM   55  H2* UNL     1       4.299  -1.801   1.143  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.615   2.450   0.303  1.00  0.00           H  
HETATM   57  H3* UNL     1       3.769  -3.805   0.037  1.00  0.00           H  
HETATM   58  H4* UNL     1       5.459  -3.298  -2.289  1.00  0.00           H  
HETATM   59 H5*1 UNL     1       3.042  -4.027  -2.243  1.00  0.00           H  
HETATM   60 H5*2 UNL     1       2.606  -2.397  -1.675  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.580  -0.912  -0.436  1.00  0.00           H  
HETATM   62  H   UNL     1       7.378   4.889   2.405  1.00  0.00           H  
HETATM   63  H   UNL     1       5.836   4.498   1.866  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.171  -2.192   4.082  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.794  -2.492   3.769  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.653  -0.128  -0.923  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.136   3.489  -1.268  1.00  0.00           H  
HETATM   68  H2* UNL     1       5.732  -3.308   2.318  1.00  0.00           H  
HETATM   69  H3* UNL     1       5.510  -5.245  -0.740  1.00  0.00           H  
HETATM   70  H5* UNL     1       2.478  -2.574  -4.054  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.726   3.662  -2.954  1.00  0.00           H  
CONECT    1   18   42    2   43                                       
CONECT    2    1   37    9   44                                       
CONECT    3   18   27   37   45                                       
CONECT    4   30   30   27   46                                       
CONECT    5   30    6    6   26                                       
CONECT    6   31    5    5   32                                       
CONECT    7   21   21   14                                            
CONECT    8   14   14   15                                            
CONECT    9    2   34   47   48                                       
CONECT   10   34   11   49   50                                       
CONECT   11   10   19   51   52                                       
CONECT   12   20   19   19   19                                       
CONECT   13   21   35   15   15                                       
CONECT   14    7    8    8   53                                       
CONECT   15   13   13    8   28                                       
CONECT   16   41   28   17   54                                       
CONECT   17   16   22   38   55                                       
CONECT   18   36    1    3   56                                       
CONECT   19   12   12   12   11                                       
CONECT   20   35   35   12   28                                       
CONECT   21   29    7    7   13                                       
CONECT   22   23   17   39   57                                       
CONECT   23   41   24   22   58                                       
CONECT   24   23   40   59   60                                       
CONECT   25   32   32   33   61                                       
CONECT   26    5   27   33   33                                       
CONECT   27    4   26    3                                            
CONECT   28   20   15   16                                            
CONECT   29   21   62   63                                            
CONECT   30    4    4    5                                            
CONECT   31    6   64   65                                            
CONECT   32    6   25   25                                            
CONECT   33   26   26   25                                            
CONECT   34    9   10   66                                            
CONECT   35   13   20   20                                            
CONECT   36   18   67                                                 
CONECT   37    3    2                                                 
CONECT   38   17   68                                                 
CONECT   39   22   69                                                 
CONECT   40   24   70                                                 
CONECT   41   23   16                                                 
CONECT   42    1   71                                                 
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   14                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   34                                                      
CONECT   67   36                                                      
CONECT   68   38                                                      
CONECT   69   39                                                      
CONECT   70   40                                                      
CONECT   71   42                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
