COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.073   1.318  -0.583  1.00  0.00           C  
HETATM    2  N   UNL     1       1.358   0.260   0.135  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.033   0.465   0.546  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.113  -0.519   0.284  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.967   0.043  -0.590  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.589   0.796  -1.867  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.835  -1.463  -0.827  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.412   0.374  -0.212  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.794  -0.385   1.062  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.259  -0.097   1.402  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.535  -0.386   0.630  1.00  0.00           C  
HETATM   12  O   UNL     1       1.366  -1.807   0.943  1.00  0.00           O  
HETATM   13  C   UNL     1       1.980  -0.902   0.417  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.348  -0.047  -1.348  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.797   0.230  -0.938  1.00  0.00           C  
HETATM   16  H   UNL     1       2.876   0.877  -1.174  1.00  0.00           H  
HETATM   17  H   UNL     1       1.381   1.841  -1.242  1.00  0.00           H  
HETATM   18  H   UNL     1      -0.243  -0.136   1.431  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.193   1.518   0.775  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.598   1.868  -1.673  1.00  0.00           H  
HETATM   21  H   UNL     1       0.407   0.492  -2.187  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.309   0.563  -2.653  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.500  -1.763  -1.637  1.00  0.00           H  
HETATM   24  H   UNL     1       0.195  -1.699  -1.097  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.104  -1.999   0.083  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.507   1.446  -0.040  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.661  -1.455   0.902  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.159  -0.058   1.885  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.388   0.971   1.575  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.538  -0.647   2.300  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.145  -0.774  -0.186  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.742  -0.950   1.539  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.773   0.665   0.793  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.109   0.521  -2.246  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.467  -0.082  -1.739  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.924   1.297  -0.754  1.00  0.00           H  
HETATM   37  C   UNL     1       2.665   2.307   0.424  1.00  0.00           C  
HETATM   38  C   UNL     1       3.528   3.444  -0.127  1.00  0.00           C  
HETATM   39  C   UNL     1       3.439  -1.077   0.081  1.00  0.00           C  
HETATM   40  N   UNL     1       3.732  -2.506  -0.097  1.00  0.00           N  
HETATM   41  C   UNL     1       4.900  -2.700  -0.966  1.00  0.00           C  
HETATM   42  C   UNL     1       2.125   3.738   0.409  1.00  0.00           C  
HETATM   43  H   UNL     1      -3.224  -1.112  -1.546  1.00  0.00           H  
HETATM   44  H   UNL     1       2.945   1.884   1.389  1.00  0.00           H  
HETATM   45  H   UNL     1       4.375   3.770   0.476  1.00  0.00           H  
HETATM   46  H   UNL     1       3.674   3.488  -1.206  1.00  0.00           H  
HETATM   47  H   UNL     1       3.665  -0.543  -0.842  1.00  0.00           H  
HETATM   48  H   UNL     1       3.865  -2.961   0.794  1.00  0.00           H  
HETATM   49  H   UNL     1       5.095  -3.766  -1.080  1.00  0.00           H  
HETATM   50  H   UNL     1       4.703  -2.259  -1.943  1.00  0.00           H  
HETATM   51  H   UNL     1       5.769  -2.217  -0.519  1.00  0.00           H  
HETATM   52  H   UNL     1       1.348   3.975  -0.318  1.00  0.00           H  
HETATM   53  H   UNL     1       2.050   4.258   1.364  1.00  0.00           H  
HETATM   54  C   UNL     1       4.296  -0.518   1.218  1.00  0.00           C  
HETATM   55  H   UNL     1       4.078   0.542   1.349  1.00  0.00           H  
HETATM   56  H   UNL     1       4.068  -1.052   2.141  1.00  0.00           H  
HETATM   57  H   UNL     1       5.350  -0.646   0.975  1.00  0.00           H  
CONECT    1    2   16   17   37                                       
CONECT    2    1    3   13                                            
CONECT    3    5    2   18   19                                       
CONECT    4   10   11   15                                            
CONECT    5    6    8    7    3                                       
CONECT    6    5   20   21   22                                       
CONECT    7    5   23   24   25                                       
CONECT    8    9    5   14   26                                       
CONECT    9   10    8   27   28                                       
CONECT   10    9    4   29   30                                       
CONECT   11    4   31   32   33                                       
CONECT   12   13   13                                                 
CONECT   13    2   12   12   39                                       
CONECT   14    8   15   34   43                                       
CONECT   15    4   14   35   36                                       
CONECT   16    1                                                      
CONECT   17    1                                                      
CONECT   18    3                                                      
CONECT   19    3                                                      
CONECT   20    6                                                      
CONECT   21    6                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    7                                                      
CONECT   25    7                                                      
CONECT   26    8                                                      
CONECT   27    9                                                      
CONECT   28    9                                                      
CONECT   29   10                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37    1   38   42   44                                       
CONECT   38   37   42   45   46                                       
CONECT   39   13   40   47   54                                       
CONECT   40   39   41   48                                            
CONECT   41   40   49   50   51                                       
CONECT   42   37   38   52   53                                       
CONECT   43   14                                                      
CONECT   44   37                                                      
CONECT   45   38                                                      
CONECT   46   38                                                      
CONECT   47   39                                                      
CONECT   48   40                                                      
CONECT   49   41                                                      
CONECT   50   41                                                      
CONECT   51   41                                                      
CONECT   52   42                                                      
CONECT   53   42                                                      
CONECT   54   39   55   56   57                                       
CONECT   55   54                                                      
CONECT   56   54                                                      
CONECT   57   54                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
