COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.644  -2.363   0.449  1.00  0.00           N  
HETATM    2  C   UNL     1       4.376  -1.225   0.336  1.00  0.00           C  
HETATM    3  C   UNL     1       5.746  -1.322  -0.015  1.00  0.00           C  
HETATM    4  C   UNL     1       6.525  -0.173  -0.139  1.00  0.00           C  
HETATM    5  C   UNL     1       5.954   1.063   0.083  1.00  0.00           C  
HETATM    6  N   UNL     1       6.442   2.363   0.041  1.00  0.00           N  
HETATM    7  C   UNL     1       5.406   3.194   0.355  1.00  0.00           C  
HETATM    8  N   UNL     1       5.487   4.566   0.421  1.00  0.00           N  
HETATM    9  C   UNL     1       6.758   5.240   0.142  1.00  0.00           C  
HETATM   10  N   UNL     1       4.323   2.492   0.584  1.00  0.00           N  
HETATM   11  C   UNL     1       4.591   1.170   0.433  1.00  0.00           C  
HETATM   12  C   UNL     1       3.808   0.023   0.558  1.00  0.00           C  
HETATM   13  C   UNL     1       2.352   0.137   0.932  1.00  0.00           C  
HETATM   14  C   UNL     1       1.508   0.263  -0.337  1.00  0.00           C  
HETATM   15  N   UNL     1       0.089   0.374   0.027  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.754   0.497  -1.169  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.221   0.610  -0.750  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.661  -0.692  -0.077  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.128  -0.579   0.342  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.994  -0.326  -0.894  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.405  -0.217  -0.491  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.531  -0.130  -0.169  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.554   0.976  -1.567  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.087   0.863  -1.986  1.00  0.00           C  
HETATM   25  C   UNL     1       6.310  -2.659  -0.242  1.00  0.00           C  
HETATM   26  O   UNL     1       7.479  -2.806  -0.546  1.00  0.00           O  
HETATM   27  N   UNL     1       5.483  -3.720  -0.101  1.00  0.00           N  
HETATM   28  C   UNL     1       4.173  -3.541   0.241  1.00  0.00           C  
HETATM   29  N   UNL     1       3.374  -4.649   0.372  1.00  0.00           N  
HETATM   30  H   UNL     1       7.568  -0.249  -0.407  1.00  0.00           H  
HETATM   31  H   UNL     1       7.351   2.630  -0.171  1.00  0.00           H  
HETATM   32  H   UNL     1       4.702   5.088   0.652  1.00  0.00           H  
HETATM   33  H   UNL     1       7.513   4.897   0.849  1.00  0.00           H  
HETATM   34  H   UNL     1       7.078   5.006  -0.873  1.00  0.00           H  
HETATM   35  H   UNL     1       6.628   6.317   0.243  1.00  0.00           H  
HETATM   36  H   UNL     1       2.048  -0.753   1.484  1.00  0.00           H  
HETATM   37  H   UNL     1       2.205   1.019   1.556  1.00  0.00           H  
HETATM   38  H   UNL     1       1.812   1.153  -0.889  1.00  0.00           H  
HETATM   39  H   UNL     1       1.655  -0.619  -0.961  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.063   1.147   0.658  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.466   1.388  -1.727  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.623  -0.383  -1.798  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.336   1.438  -0.050  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.546  -1.519  -0.777  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.044  -0.872   0.803  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.441  -1.506   0.821  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.243   0.249   1.042  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.878  -1.153  -1.594  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.170   1.157  -2.447  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.669   1.804  -0.867  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.773   1.791  -2.465  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.971   0.036  -2.686  1.00  0.00           H  
HETATM   53  H   UNL     1       2.440  -4.548   0.614  1.00  0.00           H  
HETATM   54  H   UNL     1       3.743  -5.534   0.223  1.00  0.00           H  
HETATM   55  C   UNL     1      -8.904  -0.025   0.223  1.00  0.00           C  
HETATM   56  C   UNL     1      -9.898   0.207  -0.728  1.00  0.00           C  
HETATM   57  N   UNL     1     -11.161   0.305  -0.368  1.00  0.00           N  
HETATM   58  C   UNL     1     -11.536   0.189   0.892  1.00  0.00           C  
HETATM   59  C   UNL     1     -10.612  -0.042   1.894  1.00  0.00           C  
HETATM   60  C   UNL     1      -9.272  -0.158   1.567  1.00  0.00           C  
HETATM   61  H   UNL     1      -9.629   0.308  -1.770  1.00  0.00           H  
HETATM   62  H   UNL     1     -12.583   0.275   1.144  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.933  -0.134   2.921  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.529  -0.338   2.329  1.00  0.00           H  
HETATM   65  H   UNL     1       5.824  -4.617  -0.244  1.00  0.00           H  
CONECT    1    2   28   28                                            
CONECT    2   12   12    3    1                                       
CONECT    3    4    4    2   25                                       
CONECT    4    5    3    3   30                                       
CONECT    5    6   11   11    4                                       
CONECT    6    7    5   31                                            
CONECT    7    8   10   10    6                                       
CONECT    8    9    7   32                                            
CONECT    9    8   33   34   35                                       
CONECT   10    7    7   11                                            
CONECT   11   10    5    5   12                                       
CONECT   12   11   13    2    2                                       
CONECT   13   14   12   36   37                                       
CONECT   14   15   13   38   39                                       
CONECT   15   16   14   40                                            
CONECT   16   17   15   41   42                                       
CONECT   17   18   24   16   43                                       
CONECT   18   19   17   44   45                                       
CONECT   19   20   18   46   47                                       
CONECT   20   21   19   23   48                                       
CONECT   21   22   22   22   20                                       
CONECT   22   21   21   21   55                                       
CONECT   23   20   24   49   50                                       
CONECT   24   23   17   51   52                                       
CONECT   25    3   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   65                                            
CONECT   28    1    1   27   29                                       
CONECT   29   28   53   54                                            
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
CONECT   55   22   56   60   60                                       
CONECT   56   55   57   57   61                                       
CONECT   57   56   56   58                                            
CONECT   58   57   59   59   62                                       
CONECT   59   58   58   60   63                                       
CONECT   60   59   55   55   64                                       
CONECT   61   56                                                      
CONECT   62   58                                                      
CONECT   63   59                                                      
CONECT   64   60                                                      
CONECT   65   27                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
