COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.169   0.021  -0.040  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.748   2.534   0.649  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.444   0.283  -0.128  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.298  -0.927   0.133  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.058  -2.208   0.362  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.904   0.251  -0.031  1.00  0.00           C  
HETATM    7  C   UNL     1       6.015   1.526  -0.012  1.00  0.00           C  
HETATM    8  C   UNL     1       8.380   1.151   0.021  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.078   0.524  -0.217  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.588   1.885  -0.452  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.182   3.007   0.401  1.00  0.00           C  
HETATM   12  C   UNL     1       4.200  -1.770   0.007  1.00  0.00           C  
HETATM   13  C   UNL     1       2.893  -2.222  -0.003  1.00  0.00           C  
HETATM   14  C   UNL     1       4.416  -0.387  -0.008  1.00  0.00           C  
HETATM   15  C   UNL     1       1.870  -1.271  -0.027  1.00  0.00           C  
HETATM   16  C   UNL     1       5.799   0.149   0.003  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.609  -1.631   0.021  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.204  -0.493  -0.086  1.00  0.00           C  
HETATM   19  C   UNL     1       7.304   2.020  -0.003  1.00  0.00           C  
HETATM   20  C   UNL     1       8.171  -0.217   0.036  1.00  0.00           C  
HETATM   21  C   UNL     1       6.886  -0.721   0.027  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.722  -0.217  -0.072  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.981  -0.879   0.078  1.00  0.00           N  
HETATM   24  N   UNL     1       3.381   0.442  -0.031  1.00  0.00           N  
HETATM   25  S   UNL     1      -5.660   1.476  -0.268  1.00  0.00           S  
HETATM   26  S   UNL     1       0.185  -1.787  -0.041  1.00  0.00           S  
HETATM   27  H   UNL     1      -1.560   1.949   1.550  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.939   3.197   0.341  1.00  0.00           H  
HETATM   29  H   UNL     1      -7.277  -2.677  -0.597  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.455  -2.884   0.969  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.991  -1.989   0.881  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.970   0.423  -0.022  1.00  0.00           H  
HETATM   33  H   UNL     1       5.175   2.206  -0.036  1.00  0.00           H  
HETATM   34  H   UNL     1       9.387   1.541   0.027  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.331   2.120  -1.485  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.937   2.733   1.138  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.316   3.981  -0.071  1.00  0.00           H  
HETATM   38  H   UNL     1       5.028  -2.462   0.027  1.00  0.00           H  
HETATM   39  H   UNL     1       2.670  -3.278   0.008  1.00  0.00           H  
HETATM   40  H   UNL     1       7.472   3.086  -0.015  1.00  0.00           H  
HETATM   41  H   UNL     1       9.015  -0.890   0.054  1.00  0.00           H  
HETATM   42  H   UNL     1       6.725  -1.789   0.039  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.449   0.343  -0.966  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.470   0.366   0.814  1.00  0.00           H  
CONECT    1   15   15   24                                            
CONECT    2   10   11   27   28                                       
CONECT    3    9   23   23   25                                       
CONECT    4    5    6    6   23                                       
CONECT    5    4   29   30   31                                       
CONECT    6    4    4   25   32                                       
CONECT    7   16   16   19   33                                       
CONECT    8   19   19   20   34                                       
CONECT    9    3   10   18                                            
CONECT   10    2    9   11   35                                       
CONECT   11    2   10   36   37                                       
CONECT   12   13   13   14   38                                       
CONECT   13   12   12   15   39                                       
CONECT   14   12   16   24   24                                       
CONECT   15    1    1   13   26                                       
CONECT   16    7    7   14   21                                       
CONECT   17   18   18                                                 
CONECT   18    9   17   17   22                                       
CONECT   19    7    8    8   40                                       
CONECT   20    8   21   21   41                                       
CONECT   21   16   20   20   42                                       
CONECT   22   18   26   43   44                                       
CONECT   23    3    3    4                                            
CONECT   24    1   14   14                                            
CONECT   25    3    6                                                 
CONECT   26   15   22                                                 
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
