COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.773   0.762  -0.122  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.041  -0.364  -0.235  1.00  0.00           N  
HETATM    3  O   UNL     1      -4.131   1.357  -1.118  1.00  0.00           O  
HETATM    4 CL   UNL     1       3.619   3.072  -1.273  1.00  0.00          Cl  
HETATM    5  C   UNL     1      -1.664  -0.415  -0.275  1.00  0.00           C  
HETATM    6  N   UNL     1       1.683   1.072  -0.238  1.00  0.00           N  
HETATM    7  O   UNL     1       7.831  -0.309  -0.896  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.657   0.539  -0.221  1.00  0.00           C  
HETATM    9  N   UNL     1       7.510  -1.283   1.074  1.00  0.00           N  
HETATM   10  O   UNL     1      -6.024  -1.123  -0.299  1.00  0.00           O  
HETATM   11  C   UNL     1       0.665   0.123  -0.291  1.00  0.00           C  
HETATM   12  N   UNL     1       0.979  -1.161  -0.407  1.00  0.00           N  
HETATM   13  O   UNL     1      -4.114   1.223   1.096  1.00  0.00           O  
HETATM   14  C   UNL     1       3.013   0.664  -0.176  1.00  0.00           C  
HETATM   15  N   UNL     1      -6.855  -3.111  -0.283  1.00  0.00           N  
HETATM   16  C   UNL     1       3.331  -0.591   0.333  1.00  0.00           C  
HETATM   17  C   UNL     1       4.644  -0.998   0.395  1.00  0.00           C  
HETATM   18  C   UNL     1       5.660  -0.150  -0.055  1.00  0.00           C  
HETATM   19  C   UNL     1       7.068  -0.583   0.010  1.00  0.00           C  
HETATM   20  C   UNL     1       8.929  -1.628   1.186  1.00  0.00           C  
HETATM   21  C   UNL     1       6.570  -1.699   2.118  1.00  0.00           C  
HETATM   22  C   UNL     1       5.338   1.111  -0.567  1.00  0.00           C  
HETATM   23  C   UNL     1       4.022   1.510  -0.631  1.00  0.00           C  
HETATM   24  C   UNL     1       0.060  -2.104  -0.463  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.292  -1.772  -0.399  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.537  -2.538  -0.431  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.556  -1.647  -0.324  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.987  -1.990  -0.307  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.521  -3.242  -0.297  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.156  -1.842  -0.284  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.904   2.441   1.143  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.225   2.220   0.403  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.190   2.807   2.601  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.128   3.578   0.475  1.00  0.00           C  
HETATM   35  H   UNL     1       1.466   2.017  -0.243  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.898   1.588  -0.127  1.00  0.00           H  
HETATM   37  H   UNL     1       2.546  -1.247   0.681  1.00  0.00           H  
HETATM   38  H   UNL     1       4.890  -1.972   0.792  1.00  0.00           H  
HETATM   39  H   UNL     1       9.455  -0.836   1.719  1.00  0.00           H  
HETATM   40  H   UNL     1       9.033  -2.565   1.733  1.00  0.00           H  
HETATM   41  H   UNL     1       9.356  -1.740   0.189  1.00  0.00           H  
HETATM   42  H   UNL     1       6.144  -2.668   1.859  1.00  0.00           H  
HETATM   43  H   UNL     1       7.096  -1.776   3.070  1.00  0.00           H  
HETATM   44  H   UNL     1       5.772  -0.962   2.203  1.00  0.00           H  
HETATM   45  H   UNL     1       6.120   1.769  -0.915  1.00  0.00           H  
HETATM   46  H   UNL     1       0.356  -3.139  -0.558  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.629  -3.610  -0.520  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.971  -4.172  -0.299  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.156  -1.435  -0.274  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.777   1.410   0.879  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.817   3.134   0.438  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.020   1.959  -0.635  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.249   2.964   3.128  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.783   3.721   2.636  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.743   1.997   3.077  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.924   3.317  -0.564  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.721   4.492   0.510  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.187   3.735   1.002  1.00  0.00           H  
CONECT    1    2    3    3   13                                       
CONECT    2    1    5   27                                            
CONECT    3    1    1                                                 
CONECT    4   23                                                      
CONECT    5    2    8    8   25                                       
CONECT    6   11   14   35                                            
CONECT    7   19   19                                                 
CONECT    8    5    5   11   36                                       
CONECT    9   19   20   21                                            
CONECT   10   28   30                                                 
CONECT   11    6    8   12   12                                       
CONECT   12   11   11   24                                            
CONECT   13    1   31                                                 
CONECT   14    6   16   16   23                                       
CONECT   15   29   30   30                                            
CONECT   16   14   14   17   37                                       
CONECT   17   16   18   18   38                                       
CONECT   18   17   17   19   22                                       
CONECT   19    7    7    9   18                                       
CONECT   20    9   39   40   41                                       
CONECT   21    9   42   43   44                                       
CONECT   22   18   23   23   45                                       
CONECT   23    4   14   22   22                                       
CONECT   24   12   25   25   46                                       
CONECT   25    5   24   24   26                                       
CONECT   26   25   27   27   47                                       
CONECT   27    2   26   26   28                                       
CONECT   28   10   27   29   29                                       
CONECT   29   15   28   28   48                                       
CONECT   30   10   15   15   49                                       
CONECT   31   13   32   33   34                                       
CONECT   32   31   50   51   52                                       
CONECT   33   31   53   54   55                                       
CONECT   34   31   56   57   58                                       
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   26                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
CONECT   50   32                                                      
CONECT   51   32                                                      
CONECT   52   32                                                      
CONECT   53   33                                                      
CONECT   54   33                                                      
CONECT   55   33                                                      
CONECT   56   34                                                      
CONECT   57   34                                                      
CONECT   58   34                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
