COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.477   1.519   0.033  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.026   0.308   0.010  1.00  0.00           N  
HETATM    3  N   UNL     1      -1.423   0.383  -0.024  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.783   1.701  -0.022  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.589   2.449   0.014  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.391  -0.582  -0.057  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.718  -0.196  -0.087  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.028   1.160  -0.083  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.066   2.061  -0.051  1.00  0.00           N  
HETATM   10  C   UNL     1      -5.469   1.601  -0.116  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.050  -1.916  -0.060  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.097  -2.940  -0.095  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.453  -4.328  -0.091  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.379  -5.536  -0.243  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.733  -5.233   1.110  1.00  0.00           C  
HETATM   16  N   UNL     1       1.832   1.836   0.075  1.00  0.00           N  
HETATM   17  C   UNL     1       2.791   0.822  -0.026  1.00  0.00           C  
HETATM   18  C   UNL     1       2.507  -0.335  -0.740  1.00  0.00           C  
HETATM   19  C   UNL     1       3.454  -1.335  -0.839  1.00  0.00           C  
HETATM   20  C   UNL     1       4.689  -1.185  -0.225  1.00  0.00           C  
HETATM   21  C   UNL     1       4.973  -0.030   0.489  1.00  0.00           C  
HETATM   22  C   UNL     1       4.030   0.974   0.584  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.475   3.906   0.035  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.398   4.525  -1.011  1.00  0.00           O  
HETATM   25  N   UNL     1      -0.454   4.564   1.211  1.00  0.00           N  
HETATM   26  O   UNL     1       5.621  -2.170  -0.323  1.00  0.00           O  
HETATM   27  C   UNL     1       6.871  -1.949   0.334  1.00  0.00           C  
HETATM   28  H   UNL     1      -4.503  -0.937  -0.114  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.842   1.698   0.903  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.543   2.562  -0.624  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.063   0.860  -0.651  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.116  -2.178  -0.039  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.738  -2.834   0.780  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.693  -2.819  -0.999  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.466  -4.390  -0.549  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.447  -5.343  -0.346  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.001  -6.393  -0.801  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.930  -5.891   1.443  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.376  -4.840   1.898  1.00  0.00           H  
HETATM   40  H   UNL     1       2.111   2.760   0.174  1.00  0.00           H  
HETATM   41  H   UNL     1       1.546  -0.452  -1.218  1.00  0.00           H  
HETATM   42  H   UNL     1       3.234  -2.235  -1.394  1.00  0.00           H  
HETATM   43  H   UNL     1       5.935   0.086   0.968  1.00  0.00           H  
HETATM   44  H   UNL     1       4.252   1.873   1.140  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.515   4.070   2.044  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.378   5.531   1.224  1.00  0.00           H  
HETATM   47  H   UNL     1       6.700  -1.811   1.402  1.00  0.00           H  
HETATM   48  H   UNL     1       7.521  -2.809   0.178  1.00  0.00           H  
HETATM   49  H   UNL     1       7.344  -1.056  -0.076  1.00  0.00           H  
CONECT    1    2    2    5   16                                       
CONECT    2    1    1    3                                            
CONECT    3    2    6    4                                            
CONECT    4    3    9    5    5                                       
CONECT    5    1    4    4   23                                       
CONECT    6    3   11    7    7                                       
CONECT    7    6    6    8   28                                       
CONECT    8    7   10    9    9                                       
CONECT    9    4    8    8                                            
CONECT   10    8   29   30   31                                       
CONECT   11    6   12   32                                            
CONECT   12   11   13   33   34                                       
CONECT   13   12   14   15   35                                       
CONECT   14   13   15   36   37                                       
CONECT   15   13   14   38   39                                       
CONECT   16    1   17   40                                            
CONECT   17   16   22   22   18                                       
CONECT   18   17   19   19   41                                       
CONECT   19   18   18   20   42                                       
CONECT   20   19   26   21   21                                       
CONECT   21   20   20   22   43                                       
CONECT   22   17   17   21   44                                       
CONECT   23    5   25   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   23   45   46                                            
CONECT   26   20   27                                                 
CONECT   27   26   47   48   49                                       
CONECT   28    7                                                      
CONECT   29   10                                                      
CONECT   30   10                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
