COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.252   0.326  -1.288  1.00  0.00           C  
HETATM    2  N   UNL     1       3.532  -0.797  -0.680  1.00  0.00           N  
HETATM    3  C   UNL     1       2.180  -0.872  -0.457  1.00  0.00           C  
HETATM    4  C   UNL     1       1.947  -2.073   0.118  1.00  0.00           C  
HETATM    5  N   UNL     1       0.696  -2.570   0.518  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.414  -1.826   0.336  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.757  -2.359   0.765  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.823  -1.341   0.453  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.157  -0.382   1.392  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.135   0.552   1.109  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.782   0.528  -0.118  1.00  0.00           C  
HETATM   12  O   UNL     1      -5.744   1.446  -0.398  1.00  0.00           O  
HETATM   13  C   UNL     1      -6.367   1.360  -1.681  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.445  -0.435  -1.058  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.463  -1.364  -0.772  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.331  -0.728  -0.172  1.00  0.00           O  
HETATM   17  N   UNL     1       3.125  -2.708   0.240  1.00  0.00           N  
HETATM   18  C   UNL     1       4.075  -1.952  -0.241  1.00  0.00           C  
HETATM   19  C   UNL     1       4.870   1.289  -0.262  1.00  0.00           C  
HETATM   20  C   UNL     1       3.539   2.057  -0.297  1.00  0.00           C  
HETATM   21  N   UNL     1       2.555   1.572   0.675  1.00  0.00           N  
HETATM   22  C   UNL     1       1.515   2.353   1.028  1.00  0.00           C  
HETATM   23  C   UNL     1       0.504   1.854   2.027  1.00  0.00           C  
HETATM   24  O   UNL     1       1.393   3.457   0.541  1.00  0.00           O  
HETATM   25  C   UNL     1       3.339   1.488  -1.712  1.00  0.00           C  
HETATM   26  H   UNL     1       4.947   0.011  -2.066  1.00  0.00           H  
HETATM   27  H   UNL     1       1.444  -0.117  -0.695  1.00  0.00           H  
HETATM   28  H   UNL     1       0.629  -3.448   0.924  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.969  -3.283   0.227  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.744  -2.556   1.836  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.653  -0.363   2.347  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.395   1.301   1.843  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.614   1.478  -2.460  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.850   0.389  -1.786  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.114   2.149  -1.776  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.947  -0.457  -2.014  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.198  -2.112  -1.505  1.00  0.00           H  
HETATM   38  H   UNL     1       5.124  -2.206  -0.275  1.00  0.00           H  
HETATM   39  H   UNL     1       5.081   0.825   0.702  1.00  0.00           H  
HETATM   40  H   UNL     1       5.715   1.858  -0.651  1.00  0.00           H  
HETATM   41  H   UNL     1       3.658   3.140  -0.274  1.00  0.00           H  
HETATM   42  H   UNL     1       2.653   0.689   1.064  1.00  0.00           H  
HETATM   43  H   UNL     1       0.778   0.850   2.351  1.00  0.00           H  
HETATM   44  H   UNL     1       0.485   2.522   2.889  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.483   1.830   1.565  1.00  0.00           H  
HETATM   46  H   UNL     1       3.763   2.113  -2.498  1.00  0.00           H  
HETATM   47  H   UNL     1       2.312   1.184  -1.919  1.00  0.00           H  
CONECT    1    2   25   19   26                                       
CONECT    2    1   18    3                                            
CONECT    3    2    4    4   27                                       
CONECT    4    3    3   17    5                                       
CONECT    5    4    6   28                                            
CONECT    6    5    7   16   16                                       
CONECT    7    6    8   29   30                                       
CONECT    8    7    9    9   15                                       
CONECT    9    8    8   10   31                                       
CONECT   10    9   11   11   32                                       
CONECT   11   10   10   12   14                                       
CONECT   12   11   13                                                 
CONECT   13   12   33   34   35                                       
CONECT   14   11   15   15   36                                       
CONECT   15    8   14   14   37                                       
CONECT   16    6    6                                                 
CONECT   17    4   18   18                                            
CONECT   18    2   17   17   38                                       
CONECT   19    1   20   39   40                                       
CONECT   20   19   25   21   41                                       
CONECT   21   20   22   42                                            
CONECT   22   21   23   24   24                                       
CONECT   23   22   43   44   45                                       
CONECT   24   22   22                                                 
CONECT   25    1   20   46   47                                       
CONECT   26    1                                                      
CONECT   27    3                                                      
CONECT   28    5                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
