COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.545   1.073  -0.200  1.00  0.00           C  
HETATM    2  C   UNL     1       1.359   1.776  -0.261  1.00  0.00           C  
HETATM    3  C   UNL     1       1.376  -0.831   0.692  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.776  -0.877  -0.092  1.00  0.00           N  
HETATM    5  C   UNL     1       0.190  -0.129   0.645  1.00  0.00           C  
HETATM    6  C   UNL     1       0.174   1.178   0.162  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.753  -4.614  -0.135  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.103   1.931   0.098  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.324   3.188   0.570  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.225   2.466  -0.320  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.320   1.480  -0.472  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.558   0.144  -1.127  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.022  -0.622   0.644  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.776  -2.225  -0.674  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.754  -3.265   0.447  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.623   3.512   0.315  1.00  0.00           N  
HETATM   17  C   UNL     1       2.557  -0.231   0.276  1.00  0.00           C  
HETATM   18  O   UNL     1       3.726  -0.921   0.335  1.00  0.00           O  
HETATM   19  C   UNL     1       4.919  -0.206   0.005  1.00  0.00           C  
HETATM   20  C   UNL     1       6.116  -0.868   0.688  1.00  0.00           C  
HETATM   21  C   UNL     1       5.122  -0.226  -1.512  1.00  0.00           C  
HETATM   22  H   UNL     1       3.464   1.536  -0.527  1.00  0.00           H  
HETATM   23  H   UNL     1       1.350   2.789  -0.635  1.00  0.00           H  
HETATM   24  H   UNL     1       1.390  -1.844   1.066  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.726  -0.592   0.981  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.980  -4.732  -0.771  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.740  -5.319   0.587  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.598   3.818   1.062  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.253   2.435  -0.650  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.689  -0.127  -1.726  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.437   0.204  -1.768  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.123  -1.350   1.449  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.996   0.384   1.065  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.870  -0.710  -0.035  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.673  -2.361  -1.278  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.893  -2.349  -1.302  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.637  -3.141   1.075  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.857  -3.130   1.051  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.050   4.352   0.547  1.00  0.00           H  
HETATM   40  H   UNL     1       4.830   0.826   0.346  1.00  0.00           H  
HETATM   41  H   UNL     1       6.205  -1.900   0.347  1.00  0.00           H  
HETATM   42  H   UNL     1       7.026  -0.323   0.437  1.00  0.00           H  
HETATM   43  H   UNL     1       5.972  -0.854   1.769  1.00  0.00           H  
HETATM   44  H   UNL     1       5.210  -1.257  -1.853  1.00  0.00           H  
HETATM   45  H   UNL     1       4.268   0.246  -1.999  1.00  0.00           H  
HETATM   46  H   UNL     1       6.031   0.320  -1.763  1.00  0.00           H  
CONECT    1   17   17    2   22                                       
CONECT    2    1    6    6   23                                       
CONECT    3   17    5    5   24                                       
CONECT    4   12   13   14                                            
CONECT    5    3    3    6   25                                       
CONECT    6    2    2    5    8                                       
CONECT    7   15   26   27                                            
CONECT    8    6    9    9   11                                       
CONECT    9    8    8   16   28                                       
CONECT   10   16   11   11   29                                       
CONECT   11    8   10   10   12                                       
CONECT   12   11    4   30   31                                       
CONECT   13    4   32   33   34                                       
CONECT   14    4   15   35   36                                       
CONECT   15   14    7   37   38                                       
CONECT   16    9   10   39                                            
CONECT   17   18    1    1    3                                       
CONECT   18   19   17                                                 
CONECT   19   20   21   18   40                                       
CONECT   20   19   41   42   43                                       
CONECT   21   19   44   45   46                                       
CONECT   22    1                                                      
CONECT   23    2                                                      
CONECT   24    3                                                      
CONECT   25    5                                                      
CONECT   26    7                                                      
CONECT   27    7                                                      
CONECT   28    9                                                      
CONECT   29   10                                                      
CONECT   30   12                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
