COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.782   0.270  -0.426  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.812  -1.053   0.209  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.697  -1.002   1.160  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.165   0.154  -1.903  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.410   0.879  -0.293  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.296   0.064  -0.254  1.00  0.00           C  
HETATM    7  C   UNL     1       0.972   0.628  -0.131  1.00  0.00           C  
HETATM    8  C   UNL     1       1.108   2.013  -0.049  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.012   2.818  -0.089  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.268   2.253  -0.216  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.025  -2.046   1.998  1.00  0.00           N  
HETATM   12  C   UNL     1      -5.359   0.792   2.174  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.396  -1.250  -2.464  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.584  -0.314  -2.230  1.00  0.00           C  
HETATM   15  C   UNL     1       2.173  -0.242  -0.088  1.00  0.00           C  
HETATM   16  C   UNL     1       3.446   0.315   0.034  1.00  0.00           C  
HETATM   17  C   UNL     1       4.544  -0.549   0.070  1.00  0.00           C  
HETATM   18  C   UNL     1       4.326  -1.925  -0.018  1.00  0.00           C  
HETATM   19  C   UNL     1       2.045  -1.628  -0.164  1.00  0.00           C  
HETATM   20  C   UNL     1       5.873  -0.031   0.194  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.770   1.088   0.289  1.00  0.00           N  
HETATM   22  N   UNL     1       3.106  -2.409  -0.133  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.295   0.348   1.204  1.00  0.00           C  
HETATM   24  C   UNL     1       6.963   0.394   0.296  1.00  0.00           C  
HETATM   25  C   UNL     1       8.329   0.927   0.424  1.00  0.00           C  
HETATM   26  H   UNL     1      -2.714   0.894  -2.565  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.583  -2.904   1.901  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.700  -1.924   2.684  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.245  -0.540  -1.393  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.067   0.116  -3.107  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.097  -1.434  -3.496  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.275  -2.091  -1.782  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.407  -1.008  -0.318  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.142   2.886  -0.251  1.00  0.00           H  
HETATM   35  H   UNL     1       2.089   2.455   0.047  1.00  0.00           H  
HETATM   36  H   UNL     1       0.092   3.891  -0.024  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.618  -0.035   2.835  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.985   1.627   2.766  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.245   1.107   1.622  1.00  0.00           H  
HETATM   40  H   UNL     1       3.580   1.384   0.100  1.00  0.00           H  
HETATM   41  H   UNL     1       1.062  -2.068  -0.255  1.00  0.00           H  
HETATM   42  H   UNL     1       5.167  -2.601   0.008  1.00  0.00           H  
HETATM   43  H   UNL     1       9.041   0.102   0.433  1.00  0.00           H  
HETATM   44  H   UNL     1       8.544   1.582  -0.420  1.00  0.00           H  
HETATM   45  H   UNL     1       8.414   1.490   1.353  1.00  0.00           H  
CONECT    1    2    4    5   21                                       
CONECT    2    1    3    3                                            
CONECT    3    2    2   11   23                                       
CONECT    4    1   14   13   26                                       
CONECT    5    1    6   10   10                                       
CONECT    6    5    7    7   33                                       
CONECT    7    6    6    8   15                                       
CONECT    8    7    9    9   35                                       
CONECT    9    8    8   10   36                                       
CONECT   10    5    5    9   34                                       
CONECT   11    3   27   28                                            
CONECT   12   23   37   38   39                                       
CONECT   13    4   14   31   32                                       
CONECT   14    4   13   29   30                                       
CONECT   15    7   16   16   19                                       
CONECT   16   15   15   17   40                                       
CONECT   17   16   18   18   20                                       
CONECT   18   17   17   22   42                                       
CONECT   19   15   22   22   41                                       
CONECT   20   17   24   24   24                                       
CONECT   21    1   23   23                                            
CONECT   22   18   19   19                                            
CONECT   23    3   12   21   21                                       
CONECT   24   20   20   20   25                                       
CONECT   25   24   43   44   45                                       
CONECT   26    4                                                      
CONECT   27   11                                                      
CONECT   28   11                                                      
CONECT   29   14                                                      
CONECT   30   14                                                      
CONECT   31   13                                                      
CONECT   32   13                                                      
CONECT   33    6                                                      
CONECT   34   10                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   16                                                      
CONECT   41   19                                                      
CONECT   42   18                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
