COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.856   0.526   0.674  1.00  0.00           C  
HETATM    2  C   UNL     1       0.247  -0.223   1.647  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.022  -0.550   0.848  1.00  0.00           C  
HETATM    4  C   UNL     1       1.571  -1.543   0.002  1.00  0.00           C  
HETATM    5  C   UNL     1       0.916  -1.916  -1.160  1.00  0.00           C  
HETATM    6  C   UNL     1       1.173  -3.199  -1.611  1.00  0.00           C  
HETATM    7  C   UNL     1       2.089  -4.001  -0.950  1.00  0.00           C  
HETATM    8  C   UNL     1       2.828  -3.564   0.192  1.00  0.00           C  
HETATM    9  C   UNL     1       2.549  -2.274   0.660  1.00  0.00           C  
HETATM   10  C   UNL     1     -11.061   0.613   0.386  1.00  0.00           C  
HETATM   11  N   UNL     1     -11.065   0.976   1.638  1.00  0.00           N  
HETATM   12  C   UNL     1      -8.602   0.627   0.437  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.436   0.351  -0.514  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.113   0.566   0.225  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.947   0.290  -0.726  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.624   0.504   0.012  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.458   0.228  -0.939  1.00  0.00           C  
HETATM   18  C   UNL     1       1.227   0.812  -0.420  1.00  0.00           C  
HETATM   19  C   UNL     1       1.441  -0.211   0.700  1.00  0.00           C  
HETATM   20  C   UNL     1       2.757  -0.139   1.454  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.056   0.411  -1.162  1.00  0.00           C  
HETATM   22  C   UNL     1       0.027  -0.938  -1.857  1.00  0.00           C  
HETATM   23  N   UNL     1      -9.868   0.422  -0.270  1.00  0.00           N  
HETATM   24  N   UNL     1      -1.188   0.434  -0.229  1.00  0.00           N  
HETATM   25  N   UNL     1       5.004   0.719   1.300  1.00  0.00           N  
HETATM   26  N   UNL     1     -12.249   0.420  -0.278  1.00  0.00           N  
HETATM   27  O   UNL     1       1.104   2.129   0.120  1.00  0.00           O  
HETATM   28  O   UNL     1       3.744  -4.368   0.797  1.00  0.00           O  
HETATM   29  C   UNL     1       6.048   1.300   0.710  1.00  0.00           C  
HETATM   30  C   UNL     1       7.261   1.491   1.396  1.00  0.00           C  
HETATM   31  C   UNL     1       8.308   2.088   0.764  1.00  0.00           C  
HETATM   32  C   UNL     1       8.200   2.517  -0.557  1.00  0.00           C  
HETATM   33  C   UNL     1       7.042   2.350  -1.254  1.00  0.00           C  
HETATM   34  C   UNL     1       5.943   1.736  -0.634  1.00  0.00           C  
HETATM   35  C   UNL     1       4.728   1.537  -1.312  1.00  0.00           C  
HETATM   36  C   UNL     1       3.695   0.934  -0.645  1.00  0.00           C  
HETATM   37  C   UNL     1       2.405   0.714  -1.392  1.00  0.00           C  
HETATM   38  O   UNL     1       3.102  -1.538   1.646  1.00  0.00           O  
HETATM   39  H   UNL     1       0.139   0.754   2.118  1.00  0.00           H  
HETATM   40  H   UNL     1       0.399  -0.983   2.414  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.933  -1.547   0.418  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.888  -0.514   1.509  1.00  0.00           H  
HETATM   43  H   UNL     1       0.658  -3.576  -2.482  1.00  0.00           H  
HETATM   44  H   UNL     1       2.259  -5.001  -1.321  1.00  0.00           H  
HETATM   45  H   UNL     1     -11.907   1.111   2.101  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.546  -0.052   1.287  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.546   1.657   0.791  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.491  -0.678  -0.868  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.491   1.031  -1.364  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.057   1.595   0.578  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.057  -0.114   1.075  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.003  -0.740  -1.080  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.003   0.970  -1.577  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.569   1.534   0.366  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.569  -0.175   0.863  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.514  -0.801  -1.293  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.514   0.908  -1.789  1.00  0.00           H  
HETATM   58  H   UNL     1       2.626   0.355   2.417  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.243   1.159  -1.932  1.00  0.00           H  
HETATM   60  H   UNL     1       0.406  -0.781  -2.867  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.974  -1.363  -1.926  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.865   0.151  -1.202  1.00  0.00           H  
HETATM   63  H   UNL     1     -13.091   0.554   0.185  1.00  0.00           H  
HETATM   64  H   UNL     1     -12.246   0.149  -1.209  1.00  0.00           H  
HETATM   65  H   UNL     1       0.966   2.816  -0.546  1.00  0.00           H  
HETATM   66  H   UNL     1       4.639  -4.281   0.442  1.00  0.00           H  
HETATM   67  H   UNL     1       7.361   1.165   2.421  1.00  0.00           H  
HETATM   68  H   UNL     1       9.237   2.232   1.295  1.00  0.00           H  
HETATM   69  H   UNL     1       9.046   2.990  -1.035  1.00  0.00           H  
HETATM   70  H   UNL     1       6.970   2.688  -2.277  1.00  0.00           H  
HETATM   71  H   UNL     1       4.610   1.858  -2.337  1.00  0.00           H  
HETATM   72  H   UNL     1       2.416  -0.274  -1.852  1.00  0.00           H  
HETATM   73  H   UNL     1       2.301   1.474  -2.167  1.00  0.00           H  
CONECT    1   25   25   36   20                                       
CONECT    2   19    3   39   40                                       
CONECT    3    2   24   41   42                                       
CONECT    4    9    9    5   19                                       
CONECT    5    6    6    4   22                                       
CONECT    6    7    5    5   43                                       
CONECT    7    8    8    6   44                                       
CONECT    8   28    7    7    9                                       
CONECT    9    8   38    4    4                                       
CONECT   10   23   11   11   26                                       
CONECT   11   10   10   45                                            
CONECT   12   13   23   46   47                                       
CONECT   13   14   12   48   49                                       
CONECT   14   15   13   50   51                                       
CONECT   15   16   14   52   53                                       
CONECT   16   17   15   54   55                                       
CONECT   17   24   16   56   57                                       
CONECT   18   37   27   19   21                                       
CONECT   19   20   18    4    2                                       
CONECT   20    1   38   19   58                                       
CONECT   21   18   22   24   59                                       
CONECT   22    5   21   60   61                                       
CONECT   23   12   10   62                                            
CONECT   24   21    3   17                                            
CONECT   25   29    1    1                                            
CONECT   26   10   63   64                                            
CONECT   27   18   65                                                 
CONECT   28    8   66                                                 
CONECT   29   30   30   34   25                                       
CONECT   30   31   29   29   67                                       
CONECT   31   32   32   30   68                                       
CONECT   32   31   31   33   69                                       
CONECT   33   32   34   34   70                                       
CONECT   34   33   33   29   35                                       
CONECT   35   34   36   36   71                                       
CONECT   36   35   35    1   37                                       
CONECT   37   36   18   72   73                                       
CONECT   38   20    9                                                 
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   35                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
