COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.561   0.303  -0.205  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.849   0.616  -0.597  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.673   1.336   0.248  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.209   1.742   1.485  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.922   1.428   1.878  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.097   0.710   1.032  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.664  -0.487  -1.123  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.630  -1.970  -0.702  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.211  -2.190  -0.374  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.538  -1.022  -0.575  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.268  -0.050  -0.984  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.057  -0.883  -0.336  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.622  -3.450   0.089  1.00  0.00           C  
HETATM   14  C   UNL     1       0.379   0.548  -0.654  1.00  0.00           C  
HETATM   15  C   UNL     1       1.861   0.687  -0.415  1.00  0.00           C  
HETATM   16  N   UNL     1       2.532  -0.351   0.001  1.00  0.00           N  
HETATM   17  N   UNL     1       2.450   1.878  -0.643  1.00  0.00           N  
HETATM   18  C   UNL     1       3.777   2.025  -0.436  1.00  0.00           C  
HETATM   19  O   UNL     1       4.327   3.096  -0.637  1.00  0.00           O  
HETATM   20  C   UNL     1       3.857  -0.281   0.230  1.00  0.00           C  
HETATM   21  C   UNL     1       4.504   0.923   0.015  1.00  0.00           C  
HETATM   22  C   UNL     1       5.957   0.698   0.352  1.00  0.00           C  
HETATM   23  N   UNL     1       6.018  -0.718   0.767  1.00  0.00           N  
HETATM   24  N   UNL     1       4.758  -1.225   0.664  1.00  0.00           N  
HETATM   25  C   UNL     1       4.404  -2.610   0.985  1.00  0.00           C  
HETATM   26  H   UNL     1      -6.211   0.299  -1.564  1.00  0.00           H  
HETATM   27  H   UNL     1      -7.679   1.581  -0.059  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.853   2.305   2.145  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.559   1.746   2.844  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.091   0.465   1.339  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.997  -0.391  -2.157  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.258  -2.137   0.174  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.939  -2.612  -1.526  1.00  0.00           H  
HETATM   34  H   UNL     1       0.165  -1.107   0.708  1.00  0.00           H  
HETATM   35  H   UNL     1       0.481  -1.579  -0.979  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.294  -4.034  -0.771  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.768  -3.237   0.732  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.367  -4.014   0.649  1.00  0.00           H  
HETATM   39  H   UNL     1       0.157   0.772  -1.698  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.159   1.244  -0.011  1.00  0.00           H  
HETATM   41  H   UNL     1       1.921   2.628  -0.957  1.00  0.00           H  
HETATM   42  H   UNL     1       6.582   0.866  -0.525  1.00  0.00           H  
HETATM   43  H   UNL     1       6.263   1.349   1.171  1.00  0.00           H  
HETATM   44  H   UNL     1       6.660  -1.237   0.186  1.00  0.00           H  
HETATM   45  H   UNL     1       4.498  -3.226   0.091  1.00  0.00           H  
HETATM   46  H   UNL     1       5.073  -2.986   1.758  1.00  0.00           H  
HETATM   47  H   UNL     1       3.375  -2.648   1.345  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    1    1    3   26                                       
CONECT    3    2    4    4   27                                       
CONECT    4    3    3    5   28                                       
CONECT    5    4    6    6   29                                       
CONECT    6    1    5    5   30                                       
CONECT    7    1    8   11   31                                       
CONECT    8    7    9   32   33                                       
CONECT    9    8   10   13                                            
CONECT   10    9   11   11   12                                       
CONECT   11    7   10   10                                            
CONECT   12   10   14   34   35                                       
CONECT   13    9   36   37   38                                       
CONECT   14   12   15   39   40                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15   20                                            
CONECT   17   15   18   41                                            
CONECT   18   17   19   19   21                                       
CONECT   19   18   18                                                 
CONECT   20   16   21   21   24                                       
CONECT   21   18   20   20   22                                       
CONECT   22   21   23   42   43                                       
CONECT   23   22   24   44                                            
CONECT   24   20   23   25                                            
CONECT   25   24   45   46   47                                       
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   17                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
