COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.911  -0.590   3.207  1.00  0.00           C  
HETATM    2  C   UNL     1       0.613  -0.074   3.211  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.138  -0.079   2.038  1.00  0.00           C  
HETATM    4  C   UNL     1       0.406  -0.609   0.870  1.00  0.00           C  
HETATM    5  C   UNL     1       1.705  -1.121   0.880  1.00  0.00           C  
HETATM    6  C   UNL     1       2.447  -1.109   2.045  1.00  0.00           C  
HETATM    7  C   UNL     1       0.041   0.480   4.456  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.728   1.577   4.570  1.00  0.00           O  
HETATM    9  N   UNL     1      -1.047   1.783   5.717  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.554   0.880   6.529  1.00  0.00           C  
HETATM   11  C   UNL     1       0.183  -0.022   5.719  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.735   0.811   7.998  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.473   1.743   8.630  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.219  -0.086   8.632  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.385  -0.622  -0.376  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.764  -0.425  -4.878  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.958  -1.129  -4.869  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.745  -1.180  -6.004  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.354  -0.527  -7.159  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.168   0.187  -7.189  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.361   0.245  -6.042  1.00  0.00           C  
HETATM   22  C   UNL     1       0.900   1.001  -6.062  1.00  0.00           C  
HETATM   23  O   UNL     1       0.910   2.176  -5.755  1.00  0.00           O  
HETATM   24  O   UNL     1       2.046   0.389  -6.422  1.00  0.00           O  
HETATM   25  C   UNL     1       3.292   1.134  -6.441  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.787   0.826  -8.323  1.00  0.00           O  
HETATM   27  O   UNL     1       0.005  -0.376  -3.763  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.671  -1.136  -2.760  1.00  0.00           C  
HETATM   29  C   UNL     1       0.136  -1.122  -1.488  1.00  0.00           C  
HETATM   30  C   UNL     1       0.952  -1.244   6.151  1.00  0.00           C  
HETATM   31  O   UNL     1       0.090  -2.384   6.121  1.00  0.00           O  
HETATM   32  H   UNL     1       2.496  -0.584   4.114  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.142   0.318   2.035  1.00  0.00           H  
HETATM   34  H   UNL     1       2.131  -1.528  -0.024  1.00  0.00           H  
HETATM   35  H   UNL     1       3.451  -1.507   2.047  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.591   1.698   9.589  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.390  -0.226  -0.383  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.273  -1.642  -3.973  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.671  -1.734  -5.990  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.977  -0.573  -8.040  1.00  0.00           H  
HETATM   41  H   UNL     1       4.104   0.477  -6.755  1.00  0.00           H  
HETATM   42  H   UNL     1       3.207   1.965  -7.141  1.00  0.00           H  
HETATM   43  H   UNL     1       3.501   1.519  -5.443  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.258   0.198  -8.834  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.652  -0.698  -2.572  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.792  -2.164  -3.102  1.00  0.00           H  
HETATM   47  H   UNL     1       1.140  -1.519  -1.482  1.00  0.00           H  
HETATM   48  H   UNL     1       1.790  -1.405   5.473  1.00  0.00           H  
HETATM   49  H   UNL     1       1.326  -1.098   7.164  1.00  0.00           H  
HETATM   50  H   UNL     1       0.619  -3.142   6.404  1.00  0.00           H  
CONECT    1    2    2    6   32                                       
CONECT    2    1    1    3    7                                       
CONECT    3    2    4    4   33                                       
CONECT    4    3    3    5   15                                       
CONECT    5    4    6    6   34                                       
CONECT    6    1    5    5   35                                       
CONECT    7    2    8   11   11                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   10                                            
CONECT   10    9    9   11   12                                       
CONECT   11    7    7   10   30                                       
CONECT   12   10   13   14   14                                       
CONECT   13   12   36                                                 
CONECT   14   12   12                                                 
CONECT   15    4   29   29   37                                       
CONECT   16   17   17   21   27                                       
CONECT   17   16   16   18   38                                       
CONECT   18   17   19   19   39                                       
CONECT   19   18   18   20   40                                       
CONECT   20   19   21   21   26                                       
CONECT   21   16   20   20   22                                       
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25                                                 
CONECT   25   24   41   42   43                                       
CONECT   26   20   44                                                 
CONECT   27   16   28                                                 
CONECT   28   27   29   45   46                                       
CONECT   29   15   15   28   47                                       
CONECT   30   11   31   48   49                                       
CONECT   31   30   50                                                 
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   25                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   28                                                      
CONECT   46   28                                                      
CONECT   47   29                                                      
CONECT   48   30                                                      
CONECT   49   30                                                      
CONECT   50   31                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
