COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.484  -3.018  -0.412  1.00  0.00           N  
HETATM    2  C   UNL     1       1.176  -2.655  -0.430  1.00  0.00           C  
HETATM    3  N   UNL     1       0.780  -1.424  -0.283  1.00  0.00           N  
HETATM    4  C   UNL     1       1.647  -0.417  -0.101  1.00  0.00           C  
HETATM    5  C   UNL     1       3.023  -0.695  -0.074  1.00  0.00           C  
HETATM    6  C   UNL     1       3.449  -2.085  -0.236  1.00  0.00           C  
HETATM    7  N   UNL     1       1.519   0.926   0.075  1.00  0.00           N  
HETATM    8  N   UNL     1       2.800   1.475   0.215  1.00  0.00           N  
HETATM    9  C   UNL     1       3.692   0.526   0.131  1.00  0.00           C  
HETATM   10  O   UNL     1       4.628  -2.391  -0.217  1.00  0.00           O  
HETATM   11  C   UNL     1       0.313   1.639   0.110  1.00  0.00           C  
HETATM   12  C   UNL     1       0.219   2.880  -0.507  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.794   1.102   0.757  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.973   3.580  -0.471  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.981   1.809   0.794  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.071   3.045   0.179  1.00  0.00           C  
HETATM   17 CL   UNL     1      -3.566   3.927   0.222  1.00  0.00          Cl  
HETATM   18  C   UNL     1       5.185   0.708   0.232  1.00  0.00           C  
HETATM   19  C   UNL     1       5.618   0.575   1.693  1.00  0.00           C  
HETATM   20  C   UNL     1       0.136  -3.726  -0.629  1.00  0.00           C  
HETATM   21 CL   UNL     1       1.596   3.551  -1.322  1.00  0.00          Cl  
HETATM   22 CL   UNL     1      -0.681  -0.449   1.529  1.00  0.00          Cl  
HETATM   23  C   UNL     1      -1.236  -3.103  -0.615  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.928  -2.984   0.576  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.187  -2.407   0.591  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.758  -1.957  -0.595  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.061  -2.084  -1.787  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.803  -2.656  -1.794  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.867  -2.284   1.763  1.00  0.00           O  
HETATM   30  O   UNL     1      -4.996  -1.394  -0.586  1.00  0.00           O  
HETATM   31  H   UNL     1       2.728  -3.950  -0.526  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.046   4.545  -0.949  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.840   1.394   1.301  1.00  0.00           H  
HETATM   34  H   UNL     1       5.457   1.696  -0.139  1.00  0.00           H  
HETATM   35  H   UNL     1       5.685  -0.055  -0.366  1.00  0.00           H  
HETATM   36  H   UNL     1       5.118   1.338   2.291  1.00  0.00           H  
HETATM   37  H   UNL     1       5.346  -0.413   2.064  1.00  0.00           H  
HETATM   38  H   UNL     1       6.697   0.707   1.766  1.00  0.00           H  
HETATM   39  H   UNL     1       0.301  -4.219  -1.587  1.00  0.00           H  
HETATM   40  H   UNL     1       0.210  -4.459   0.174  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.483  -3.334   1.496  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.502  -1.735  -2.709  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.262  -2.754  -2.724  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.386  -3.093   1.871  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.630  -2.112  -0.718  1.00  0.00           H  
CONECT    1    2    6   31                                            
CONECT    2    1    3    3   20                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    5    7                                       
CONECT    5    4    4    6    9                                       
CONECT    6    1    5   10   10                                       
CONECT    7    4    8   11                                            
CONECT    8    7    9    9                                            
CONECT    9    5    8    8   18                                       
CONECT   10    6    6                                                 
CONECT   11    7   12   13   13                                       
CONECT   12   11   14   14   21                                       
CONECT   13   11   11   15   22                                       
CONECT   14   12   12   16   32                                       
CONECT   15   13   16   16   33                                       
CONECT   16   14   15   15   17                                       
CONECT   17   16                                                      
CONECT   18    9   19   34   35                                       
CONECT   19   18   36   37   38                                       
CONECT   20    2   23   39   40                                       
CONECT   21   12                                                      
CONECT   22   13                                                      
CONECT   23   20   24   24   28                                       
CONECT   24   23   23   25   41                                       
CONECT   25   24   26   26   29                                       
CONECT   26   25   25   27   30                                       
CONECT   27   26   28   28   42                                       
CONECT   28   23   27   27   43                                       
CONECT   29   25   44                                                 
CONECT   30   26   45                                                 
CONECT   31    1                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   18                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   24                                                      
CONECT   42   27                                                      
CONECT   43   28                                                      
CONECT   44   29                                                      
CONECT   45   30                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
