COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.870   0.135  -0.297  1.00  0.00           C  
HETATM    2  N   UNL     1       2.563  -1.366  -0.807  1.00  0.00           N  
HETATM    3  C   UNL     1       1.515  -2.127  -1.064  1.00  0.00           C  
HETATM    4  N   UNL     1       0.278  -1.698  -0.924  1.00  0.00           N  
HETATM    5  C   UNL     1       0.034  -0.460  -0.510  1.00  0.00           C  
HETATM    6  C   UNL     1       1.115   0.391  -0.222  1.00  0.00           C  
HETATM    7  C   UNL     1       2.417  -0.113  -0.388  1.00  0.00           C  
HETATM    8  N   UNL     1       3.521   0.677  -0.119  1.00  0.00           N  
HETATM    9  N   UNL     1       0.596   1.577   0.173  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.703   1.512   0.147  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.099   0.275  -0.268  1.00  0.00           N  
HETATM   12  C1* UNL     1      -2.481  -0.185  -0.426  1.00  0.00           C  
HETATM   13  C2* UNL     1      -2.958  -0.929   0.848  1.00  0.00           C  
HETATM   14  O2* UNL     1      -2.597  -2.310   0.797  1.00  0.00           O  
HETATM   15  C   UNL     1       5.868   1.278  -0.555  1.00  0.00           C  
HETATM   16  C   UNL     1       6.900   1.229   0.590  1.00  0.00           C  
HETATM   17  C   UNL     1       6.841  -0.235   1.092  1.00  0.00           C  
HETATM   18  C   UNL     1       5.331  -0.568   0.996  1.00  0.00           C  
HETATM   19  C3* UNL     1      -4.495  -0.756   0.767  1.00  0.00           C  
HETATM   20  O3* UNL     1      -5.100  -1.922   0.204  1.00  0.00           O  
HETATM   21  C4* UNL     1      -4.690   0.457  -0.163  1.00  0.00           C  
HETATM   22  O4* UNL     1      -3.384   0.938  -0.518  1.00  0.00           O  
HETATM   23  C5* UNL     1      -5.468   1.553   0.569  1.00  0.00           C  
HETATM   24  O5* UNL     1      -5.746   2.624  -0.336  1.00  0.00           O  
HETATM   25  H   UNL     1       4.883  -0.568  -1.130  1.00  0.00           H  
HETATM   26  H   UNL     1       1.679  -3.139  -1.403  1.00  0.00           H  
HETATM   27  H   UNL     1       3.401   1.590   0.186  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.370   2.318   0.416  1.00  0.00           H  
HETATM   29  H1* UNL     1      -2.572  -0.827  -1.302  1.00  0.00           H  
HETATM   30  H2* UNL     1      -2.560  -0.457   1.746  1.00  0.00           H  
HETATM   31  H2* UNL     1      -2.874  -2.818   1.572  1.00  0.00           H  
HETATM   32  H   UNL     1       6.365   1.129  -1.514  1.00  0.00           H  
HETATM   33  H   UNL     1       5.348   2.236  -0.549  1.00  0.00           H  
HETATM   34  H   UNL     1       7.897   1.464   0.215  1.00  0.00           H  
HETATM   35  H   UNL     1       6.619   1.918   1.386  1.00  0.00           H  
HETATM   36  H   UNL     1       7.423  -0.890   0.444  1.00  0.00           H  
HETATM   37  H   UNL     1       7.187  -0.303   2.124  1.00  0.00           H  
HETATM   38  H   UNL     1       4.797  -0.170   1.859  1.00  0.00           H  
HETATM   39  H   UNL     1       5.183  -1.645   0.919  1.00  0.00           H  
HETATM   40  H3* UNL     1      -4.908  -0.553   1.755  1.00  0.00           H  
HETATM   41  H3* UNL     1      -6.062  -1.868   0.130  1.00  0.00           H  
HETATM   42  H4* UNL     1      -5.230   0.152  -1.060  1.00  0.00           H  
HETATM   43 H5*1 UNL     1      -6.405   1.144   0.946  1.00  0.00           H  
HETATM   44 H5*2 UNL     1      -4.872   1.926   1.402  1.00  0.00           H  
HETATM   45  H5* UNL     1      -6.237   3.356   0.061  1.00  0.00           H  
CONECT    1    8   15   18   25                                       
CONECT    2    3    3    7                                            
CONECT    3    2    2    4   26                                       
CONECT    4    3    5    5                                            
CONECT    5    4    4    6   11                                       
CONECT    6    5    7    7    9                                       
CONECT    7    2    6    6    8                                       
CONECT    8    1    7   27                                            
CONECT    9    6   10   10                                            
CONECT   10    9    9   11   28                                       
CONECT   11    5   10   12                                            
CONECT   12   11   13   22   29                                       
CONECT   13   12   14   19   30                                       
CONECT   14   13   31                                                 
CONECT   15    1   16   32   33                                       
CONECT   16   15   17   34   35                                       
CONECT   17   16   18   36   37                                       
CONECT   18    1   17   38   39                                       
CONECT   19   13   20   21   40                                       
CONECT   20   19   41                                                 
CONECT   21   19   22   23   42                                       
CONECT   22   12   21                                                 
CONECT   23   21   24   43   44                                       
CONECT   24   23   45                                                 
CONECT   25    1                                                      
CONECT   26    3                                                      
CONECT   27    8                                                      
CONECT   28   10                                                      
CONECT   29   12                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   15                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
