COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.371   0.432   5.218  1.00  0.00           C  
HETATM    2  C   UNL     1       0.810  -0.645   3.546  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.278  -0.316   2.625  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.261  -0.352   0.562  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.350   0.360   1.062  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.383   0.408   3.138  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.237  -0.756  -0.889  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.772  -0.008  -3.004  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.568  -1.208  -3.343  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.840  -1.495  -4.595  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.351  -0.617  -5.672  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.641   0.447  -5.373  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.332   0.766  -3.964  1.00  0.00           C  
HETATM   14  C   UNL     1       0.475   1.955  -3.671  1.00  0.00           C  
HETATM   15  C   UNL     1       1.389   2.008  -2.755  1.00  0.00           C  
HETATM   16  C   UNL     1       1.747   0.887  -1.878  1.00  0.00           C  
HETATM   17  C   UNL     1       3.170   0.673  -1.545  1.00  0.00           C  
HETATM   18  C   UNL     1       3.527  -0.323  -0.766  1.00  0.00           C  
HETATM   19  C   UNL     1       2.500  -1.230  -0.224  1.00  0.00           C  
HETATM   20  C   UNL     1       1.235  -1.037  -0.519  1.00  0.00           C  
HETATM   21  C   UNL     1       0.833   0.084  -1.394  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.380   0.750   4.433  1.00  0.00           N  
HETATM   23  N   UNL     1      -0.426   0.818   6.544  1.00  0.00           N  
HETATM   24  N   UNL     1       0.695  -0.245   4.804  1.00  0.00           N  
HETATM   25  N   UNL     1       1.916  -1.347   3.120  1.00  0.00           N  
HETATM   26  N   UNL     1      -0.254  -0.674   1.345  1.00  0.00           N  
HETATM   27  N   UNL     1      -2.394   0.724   2.326  1.00  0.00           N  
HETATM   28  N   UNL     1      -0.514   0.257  -1.668  1.00  0.00           N  
HETATM   29  H   UNL     1      -3.167   0.616   0.404  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.734  -1.718  -0.989  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.258  -0.840  -1.260  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.928  -1.853  -2.555  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.421  -2.373  -4.835  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.575  -0.847  -6.703  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.281   1.091  -6.161  1.00  0.00           H  
HETATM   36  H   UNL     1       0.297   2.844  -4.257  1.00  0.00           H  
HETATM   37  H   UNL     1       1.922   2.938  -2.629  1.00  0.00           H  
HETATM   38  H   UNL     1       3.922   1.339  -1.943  1.00  0.00           H  
HETATM   39  H   UNL     1       4.568  -0.477  -0.525  1.00  0.00           H  
HETATM   40  H   UNL     1       2.788  -2.052   0.414  1.00  0.00           H  
HETATM   41  H   UNL     1       0.484  -1.704  -0.121  1.00  0.00           H  
HETATM   42  H   UNL     1       0.300   0.594   7.145  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.191   1.317   6.872  1.00  0.00           H  
HETATM   44  H   UNL     1       2.661  -1.493   3.725  1.00  0.00           H  
HETATM   45  H   UNL     1       1.951  -1.696   2.216  1.00  0.00           H  
CONECT    1   22   22   23   24                                       
CONECT    2    3   24   24   25                                       
CONECT    3    2    6    6   26                                       
CONECT    4    5    7   26   26                                       
CONECT    5    4   27   27   29                                       
CONECT    6    3    3   22   27                                       
CONECT    7    4   28   30   31                                       
CONECT    8    9    9   13   28                                       
CONECT    9    8    8   10   32                                       
CONECT   10    9   11   11   33                                       
CONECT   11   10   10   12   34                                       
CONECT   12   11   13   13   35                                       
CONECT   13    8   12   12   14                                       
CONECT   14   13   15   15   36                                       
CONECT   15   14   14   16   37                                       
CONECT   16   15   17   17   21                                       
CONECT   17   16   16   18   38                                       
CONECT   18   17   19   19   39                                       
CONECT   19   18   18   20   40                                       
CONECT   20   19   21   21   41                                       
CONECT   21   16   20   20   28                                       
CONECT   22    1    1    6                                            
CONECT   23    1   42   43                                            
CONECT   24    1    2    2                                            
CONECT   25    2   44   45                                            
CONECT   26    3    4    4                                            
CONECT   27    5    5    6                                            
CONECT   28    7    8   21                                            
CONECT   29    5                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
