COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.951   1.811  -0.375  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.152   2.547  -0.436  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.159   3.810  -0.038  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.785   1.550   0.073  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.243   0.347  -0.422  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.608   0.499  -0.712  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.509  -0.531  -1.266  1.00  0.00           C  
HETATM    8  C   UNL     1       0.601   1.831   0.502  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.915   3.777   0.501  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.973  -1.618  -2.565  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.818   2.437   0.101  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.058   4.402   0.419  1.00  0.00           C  
HETATM   13  N   UNL     1      -5.309   1.957  -0.906  1.00  0.00           N  
HETATM   14  N   UNL     1      -3.742  -1.769  -0.745  1.00  0.00           N  
HETATM   15  N   UNL     1      -4.659  -2.420  -1.580  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.278  -0.419  -2.404  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.140  -2.321   0.471  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.247  -3.512   0.106  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.685  -4.130   1.389  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.764  -4.523   2.240  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.605  -3.444   2.652  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.244  -2.797   1.420  1.00  0.00           C  
HETATM   23  C   UNL     1       0.918   3.059   1.087  1.00  0.00           C  
HETATM   24  C   UNL     1       2.213   3.320   1.486  1.00  0.00           C  
HETATM   25  C   UNL     1       3.201   2.368   1.309  1.00  0.00           C  
HETATM   26  C   UNL     1       2.896   1.143   0.727  1.00  0.00           C  
HETATM   27  C   UNL     1       1.597   0.870   0.328  1.00  0.00           C  
HETATM   28  N   UNL     1       3.898   0.186   0.549  1.00  0.00           N  
HETATM   29  C   UNL     1       5.190   0.678   1.045  1.00  0.00           C  
HETATM   30  C   UNL     1       6.217  -0.458   1.000  1.00  0.00           C  
HETATM   31  N   UNL     1       6.243  -1.011  -0.363  1.00  0.00           N  
HETATM   32  C   UNL     1       4.966  -1.400  -0.980  1.00  0.00           C  
HETATM   33  C   UNL     1       3.988  -0.227  -0.858  1.00  0.00           C  
HETATM   34  C   UNL     1       7.406  -1.157  -1.028  1.00  0.00           C  
HETATM   35  C   UNL     1       7.409  -1.725  -2.424  1.00  0.00           C  
HETATM   36  O   UNL     1       8.449  -0.831  -0.504  1.00  0.00           O  
HETATM   37  H   UNL     1      -0.656  -0.549  -0.564  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.659  -1.845  -3.368  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.113   5.434   0.732  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.331   1.002  -1.078  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.099   2.497  -1.065  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.328   0.440  -3.058  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.541  -1.554   0.962  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.835  -4.257  -0.430  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.426  -3.172  -0.524  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.084  -5.004   1.138  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.064  -3.398   1.904  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.386  -3.822   3.310  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.009  -2.702   3.184  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.851  -1.946   1.729  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.872  -3.528   0.910  1.00  0.00           H  
HETATM   52  H   UNL     1       0.150   3.805   1.227  1.00  0.00           H  
HETATM   53  H   UNL     1       2.456   4.270   1.939  1.00  0.00           H  
HETATM   54  H   UNL     1       4.213   2.578   1.623  1.00  0.00           H  
HETATM   55  H   UNL     1       1.357  -0.083  -0.120  1.00  0.00           H  
HETATM   56  H   UNL     1       5.531   1.501   0.417  1.00  0.00           H  
HETATM   57  H   UNL     1       5.077   1.026   2.072  1.00  0.00           H  
HETATM   58  H   UNL     1       7.203  -0.071   1.257  1.00  0.00           H  
HETATM   59  H   UNL     1       5.931  -1.238   1.706  1.00  0.00           H  
HETATM   60  H   UNL     1       5.124  -1.636  -2.033  1.00  0.00           H  
HETATM   61  H   UNL     1       4.561  -2.273  -0.467  1.00  0.00           H  
HETATM   62  H   UNL     1       3.004  -0.534  -1.210  1.00  0.00           H  
HETATM   63  H   UNL     1       4.346   0.609  -1.459  1.00  0.00           H  
HETATM   64  H   UNL     1       7.308  -0.916  -3.146  1.00  0.00           H  
HETATM   65  H   UNL     1       8.346  -2.253  -2.599  1.00  0.00           H  
HETATM   66  H   UNL     1       6.575  -2.419  -2.536  1.00  0.00           H  
CONECT    1    6    6    2   11                                       
CONECT    2   13    1    3    3                                       
CONECT    3    2    2   12                                            
CONECT    4    5    5    8   11                                       
CONECT    5    6    4    4   37                                       
CONECT    6    7    5    1    1                                       
CONECT    7   16   16   14    6                                       
CONECT    8   23    4   27   27                                       
CONECT    9   11   12   12                                            
CONECT   10   15   15   16   38                                       
CONECT   11    1    4    9                                            
CONECT   12    3    9    9   39                                       
CONECT   13    2   40   41                                            
CONECT   14   15    7   17                                            
CONECT   15   10   10   14                                            
CONECT   16   10    7    7   42                                       
CONECT   17   22   14   18   43                                       
CONECT   18   17   19   44   45                                       
CONECT   19   20   18   46   47                                       
CONECT   20   21   19                                                 
CONECT   21   22   20   48   49                                       
CONECT   22   21   17   50   51                                       
CONECT   23   24   24    8   52                                       
CONECT   24   23   23   25   53                                       
CONECT   25   24   26   26   54                                       
CONECT   26   25   25   27   28                                       
CONECT   27    8    8   26   55                                       
CONECT   28   26   29   33                                            
CONECT   29   28   30   56   57                                       
CONECT   30   29   31   58   59                                       
CONECT   31   30   32   34                                            
CONECT   32   33   31   60   61                                       
CONECT   33   28   32   62   63                                       
CONECT   34   31   36   36   35                                       
CONECT   35   34   64   65   66                                       
CONECT   36   34   34                                                 
CONECT   37    5                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   27                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   30                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   33                                                      
CONECT   64   35                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
