COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -9.626  -1.543  -0.398  1.00  0.00           O  
HETATM    2  C   UNL     1       5.306   0.903  -0.190  1.00  0.00           C  
HETATM    3  C   UNL     1       2.918   0.593  -0.039  1.00  0.00           C  
HETATM    4  C   UNL     1       1.760  -1.190   0.398  1.00  0.00           C  
HETATM    5  N   UNL     1       4.017   1.429  -0.230  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.462  -0.264   0.109  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.597   0.767  -0.108  1.00  0.00           C  
HETATM    8  N   UNL     1       2.977  -0.701   0.300  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.314   1.880   0.310  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.692   1.825   0.384  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.359   0.658   0.043  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.338  -0.629  -0.250  1.00  0.00           C  
HETATM   13  N   UNL     1       1.430  -2.489   0.726  1.00  0.00           N  
HETATM   14  C   UNL     1      -8.832  -0.500  -0.106  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.643  -0.454  -0.374  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.265  -0.401  -0.449  1.00  0.00           C  
HETATM   17  N   UNL     1       0.883  -0.184   0.119  1.00  0.00           N  
HETATM   18  N   UNL     1      10.247  -1.114  -0.027  1.00  0.00           N  
HETATM   19  C   UNL     1       9.196  -0.685  -0.060  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.010  -1.317   0.369  1.00  0.00           O  
HETATM   21  C   UNL     1       7.870  -0.145  -0.101  1.00  0.00           C  
HETATM   22  C   UNL     1       6.378   1.720   0.155  1.00  0.00           C  
HETATM   23  C   UNL     1       7.653   1.203   0.201  1.00  0.00           C  
HETATM   24  C   UNL     1       6.791  -0.962  -0.452  1.00  0.00           C  
HETATM   25  C   UNL     1       5.518  -0.439  -0.491  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.199   0.824  -0.189  1.00  0.00           N  
HETATM   27  N   UNL     1       1.662   0.951  -0.157  1.00  0.00           N  
HETATM   28  O   UNL     1      -6.716   0.605   0.116  1.00  0.00           O  
HETATM   29  O   UNL     1      -9.316   0.540   0.271  1.00  0.00           O  
HETATM   30  H   UNL     1     -10.578  -1.412  -0.290  1.00  0.00           H  
HETATM   31  H   UNL     1       3.884   2.376  -0.390  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.795   2.789   0.576  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.250   2.691   0.709  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.977  -1.425   0.401  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.091  -0.866  -1.285  1.00  0.00           H  
HETATM   36  H   UNL     1       0.499  -2.756   0.774  1.00  0.00           H  
HETATM   37  H   UNL     1       2.130  -3.136   0.909  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.163  -1.363  -0.640  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.708  -1.267  -0.774  1.00  0.00           H  
HETATM   40  H   UNL     1       6.210   2.762   0.387  1.00  0.00           H  
HETATM   41  H   UNL     1       8.485   1.838   0.469  1.00  0.00           H  
HETATM   42  H   UNL     1       6.956  -2.001  -0.693  1.00  0.00           H  
HETATM   43  H   UNL     1       4.683  -1.071  -0.755  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.762   1.647  -0.460  1.00  0.00           H  
CONECT    1   14   30                                                 
CONECT    2    5   22   22   25                                       
CONECT    3    8    5   27   27                                       
CONECT    4   13    8    8   17                                       
CONECT    5    3    2   31                                            
CONECT    6   20   20   17   26                                       
CONECT    7   16   26    9    9                                       
CONECT    8    4    4    3                                            
CONECT    9    7    7   10   32                                       
CONECT   10   11   11    9   33                                       
CONECT   11   15   28   10   10                                       
CONECT   12   28   14   34   35                                       
CONECT   13    4   36   37                                            
CONECT   14   12   29   29    1                                       
CONECT   15   16   16   11   38                                       
CONECT   16   15   15    7   39                                       
CONECT   17    4    6   27                                            
CONECT   18   19   19   19                                            
CONECT   19   21   18   18   18                                       
CONECT   20    6    6                                                 
CONECT   21   23   23   24   19                                       
CONECT   22    2    2   23   40                                       
CONECT   23   22   21   21   41                                       
CONECT   24   25   25   21   42                                       
CONECT   25    2   24   24   43                                       
CONECT   26    6    7   44                                            
CONECT   27    3    3   17                                            
CONECT   28   12   11                                                 
CONECT   29   14   14                                                 
CONECT   30    1                                                      
CONECT   31    5                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
