COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.803   3.736   0.176  1.00  0.00           N  
HETATM    2  O   UNL     1      -6.096  -0.185  -0.853  1.00  0.00           O  
HETATM    3  N   UNL     1       3.270   1.480   0.092  1.00  0.00           N  
HETATM    4  C   UNL     1       2.383   0.384   0.489  1.00  0.00           C  
HETATM    5  N   UNL     1       2.098   2.960   1.544  1.00  0.00           N  
HETATM    6  C   UNL     1       3.071   2.743   0.596  1.00  0.00           C  
HETATM    7  N   UNL     1       4.360  -3.320  -0.102  1.00  0.00           N  
HETATM    8  C   UNL     1       3.085  -0.932   0.279  1.00  0.00           C  
HETATM    9  C   UNL     1       3.055  -1.917   1.255  1.00  0.00           C  
HETATM   10  C   UNL     1       3.711  -3.111   1.027  1.00  0.00           C  
HETATM   11  C   UNL     1       4.410  -2.407  -1.051  1.00  0.00           C  
HETATM   12  C   UNL     1       3.778  -1.188  -0.895  1.00  0.00           C  
HETATM   13  C   UNL     1       1.130   0.424  -0.348  1.00  0.00           C  
HETATM   14  C   UNL     1       1.213   0.697  -1.702  1.00  0.00           C  
HETATM   15  C   UNL     1       0.067   0.735  -2.476  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.166   0.501  -1.901  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.255   0.226  -0.538  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.097   0.184   0.236  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.965  -0.222  -0.100  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.577  -0.025   0.086  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.666  -0.300   1.450  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.897  -0.539   2.027  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.331  -0.443  -0.182  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.044  -0.501   1.257  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.733   0.013  -0.689  1.00  0.00           C  
HETATM   26  H   UNL     1       3.662   4.628   0.532  1.00  0.00           H  
HETATM   27  H   UNL     1      -7.304  -1.440   0.258  1.00  0.00           H  
HETATM   28  H   UNL     1      -7.479   0.297   0.604  1.00  0.00           H  
HETATM   29  H   UNL     1      -8.152  -0.383  -0.896  1.00  0.00           H  
HETATM   30  H   UNL     1       3.999   1.314  -0.526  1.00  0.00           H  
HETATM   31  H   UNL     1       2.120   0.492   1.541  1.00  0.00           H  
HETATM   32  H   UNL     1       1.905   3.862   1.843  1.00  0.00           H  
HETATM   33  H   UNL     1       1.606   2.210   1.914  1.00  0.00           H  
HETATM   34  H   UNL     1       3.692  -3.883   1.782  1.00  0.00           H  
HETATM   35  H   UNL     1       4.952  -2.614  -1.963  1.00  0.00           H  
HETATM   36  H   UNL     1       2.525  -1.752   2.182  1.00  0.00           H  
HETATM   37  H   UNL     1       3.822  -0.444  -1.676  1.00  0.00           H  
HETATM   38  H   UNL     1       2.175   0.881  -2.156  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.160  -0.033   1.293  1.00  0.00           H  
HETATM   40  H   UNL     1       0.138   0.948  -3.532  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.059   0.532  -2.506  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.771  -0.331   2.054  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.670   0.226  -1.746  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.964  -0.752   3.084  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.005  -0.688   1.714  1.00  0.00           H  
CONECT    1    6    6   26                                            
CONECT    2   19   23                                                 
CONECT    3    4    6   30                                            
CONECT    4    3    8   13   31                                       
CONECT    5    6   32   33                                            
CONECT    6    1    1    3    5                                       
CONECT    7   10   11   11                                            
CONECT    8    4    9   12   12                                       
CONECT    9    8   10   10   36                                       
CONECT   10    7    9    9   34                                       
CONECT   11    7    7   12   35                                       
CONECT   12    8    8   11   37                                       
CONECT   13    4   14   18   18                                       
CONECT   14   13   15   15   38                                       
CONECT   15   14   14   16   40                                       
CONECT   16   15   17   17   41                                       
CONECT   17   16   16   18   20                                       
CONECT   18   13   13   17   39                                       
CONECT   19    2   24   24   25                                       
CONECT   20   17   21   25   25                                       
CONECT   21   20   22   22   42                                       
CONECT   22   21   21   24   44                                       
CONECT   23    2   27   28   29                                       
CONECT   24   19   19   22   45                                       
CONECT   25   20   20   19   43                                       
CONECT   26    1                                                      
CONECT   27   23                                                      
CONECT   28   23                                                      
CONECT   29   23                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36    9                                                      
CONECT   37   12                                                      
CONECT   38   14                                                      
CONECT   39   18                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   21                                                      
CONECT   43   25                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
