COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.474   4.143   0.894  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.516   1.977  -1.032  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.307   1.464  -0.616  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.956   1.745   0.829  1.00  0.00           C  
HETATM    5  C   UNL     1       0.180   2.522   0.844  1.00  0.00           C  
HETATM    6  C   UNL     1       1.393   1.990   0.419  1.00  0.00           C  
HETATM    7  N   UNL     1       2.865  -1.187  -0.911  1.00  0.00           N  
HETATM    8  C   UNL     1       3.724   2.259   0.022  1.00  0.00           C  
HETATM    9  C   UNL     1       3.844   0.936  -0.437  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.069  -0.356   0.389  1.00  0.00           N  
HETATM   11  C   UNL     1       5.654  -0.550  -0.047  1.00  0.00           C  
HETATM   12  C   UNL     1       5.146  -1.937  -0.419  1.00  0.00           C  
HETATM   13  C   UNL     1       3.909  -4.674   0.389  1.00  0.00           C  
HETATM   14  C   UNL     1       2.444  -4.306   0.631  1.00  0.00           C  
HETATM   15  C   UNL     1       3.258  -3.554  -0.425  1.00  0.00           C  
HETATM   16  O   UNL     1       4.714   2.972   0.050  1.00  0.00           O  
HETATM   17  C   UNL     1       3.672  -2.116  -0.107  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.477  -0.515   0.088  1.00  0.00           C  
HETATM   19  O   UNL     1       5.052   0.454  -0.861  1.00  0.00           O  
HETATM   20  C   UNL     1      -5.659   0.088  -0.352  1.00  0.00           C  
HETATM   21  C   UNL     1       2.738   0.118  -0.468  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.499  -1.823   0.670  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.516  -2.861   1.131  1.00  0.00           N  
HETATM   24  C   UNL     1       1.448   0.655  -0.024  1.00  0.00           C  
HETATM   25  C   UNL     1       0.290  -0.125  -0.035  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.905   0.421   0.397  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.266   0.194  -0.042  1.00  0.00           C  
HETATM   28  N   UNL     1       2.543   2.756   0.429  1.00  0.00           N  
HETATM   29  N   UNL     1      -5.637   1.290  -0.892  1.00  0.00           N  
HETATM   30 CL   UNL     1      -7.167  -0.756  -0.192  1.00  0.00          Cl  
HETATM   31  H   UNL     1       2.657   4.176   1.969  1.00  0.00           H  
HETATM   32  H   UNL     1       3.230   4.737   0.380  1.00  0.00           H  
HETATM   33  H   UNL     1       1.485   4.549   0.681  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.550   2.960  -1.477  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.400   2.039  -0.734  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.895   2.163   1.161  1.00  0.00           H  
HETATM   37  H   UNL     1       0.130   3.546   1.184  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.038  -1.279   0.686  1.00  0.00           H  
HETATM   39  H   UNL     1       5.418  -0.352   0.999  1.00  0.00           H  
HETATM   40  H   UNL     1       6.735  -0.519  -0.181  1.00  0.00           H  
HETATM   41  H   UNL     1       5.303  -2.095  -1.486  1.00  0.00           H  
HETATM   42  H   UNL     1       5.716  -2.682   0.135  1.00  0.00           H  
HETATM   43  H   UNL     1       4.633  -4.386   1.151  1.00  0.00           H  
HETATM   44  H   UNL     1       4.114  -5.615  -0.123  1.00  0.00           H  
HETATM   45  H   UNL     1       1.685  -5.004   0.278  1.00  0.00           H  
HETATM   46  H   UNL     1       2.204  -3.776   1.552  1.00  0.00           H  
HETATM   47  H   UNL     1       3.033  -3.758  -1.472  1.00  0.00           H  
HETATM   48  H   UNL     1       3.503  -1.918   0.952  1.00  0.00           H  
HETATM   49  H   UNL     1       0.329  -1.149  -0.374  1.00  0.00           H  
HETATM   50  H   UNL     1       2.434  -1.480  -1.730  1.00  0.00           H  
CONECT    1   28   31   32   33                                       
CONECT    2   29    3    3   34                                       
CONECT    3    2    2   27   35                                       
CONECT    4   26    5    5   36                                       
CONECT    5    4    4    6   37                                       
CONECT    6    5   24   24   28                                       
CONECT    7   21   17   50                                            
CONECT    8   28    9   16   16                                       
CONECT    9   21   21    8   19                                       
CONECT   10   27   26   38                                            
CONECT   11   12   19   39   40                                       
CONECT   12   17   11   41   42                                       
CONECT   13   14   15   43   44                                       
CONECT   14   13   15   45   46                                       
CONECT   15   14   13   17   47                                       
CONECT   16    8    8                                                 
CONECT   17   15    7   12   48                                       
CONECT   18   20   22   27   27                                       
CONECT   19    9   11                                                 
CONECT   20   30   29   29   18                                       
CONECT   21   24    7    9    9                                       
CONECT   22   18   23   23   23                                       
CONECT   23   22   22   22                                            
CONECT   24   25    6    6   21                                       
CONECT   25   26   26   24   49                                       
CONECT   26   10    4   25   25                                       
CONECT   27   18   18    3   10                                       
CONECT   28    6    1    8                                            
CONECT   29   20   20    2                                            
CONECT   30   20                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   17                                                      
CONECT   49   25                                                      
CONECT   50    7                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
