COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.363   1.360   0.605  1.00  0.00           O  
HETATM    2  C   UNL     1       4.946   0.338   0.103  1.00  0.00           C  
HETATM    3  C   UNL     1       5.673  -0.963   0.328  1.00  0.00           C  
HETATM    4  N   UNL     1       3.830   0.364  -0.652  1.00  0.00           N  
HETATM    5  C   UNL     1       3.081  -0.604  -1.469  1.00  0.00           C  
HETATM    6  C   UNL     1       1.827   0.230  -1.206  1.00  0.00           C  
HETATM    7  C   UNL     1       0.917   0.387  -2.421  1.00  0.00           C  
HETATM    8  C   UNL     1       0.152  -0.923  -2.647  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.503  -1.310  -1.390  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.833  -1.525  -1.351  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.482  -1.500  -2.375  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.514  -1.795  -0.034  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.010  -0.863   0.978  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.168   0.514   0.801  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.816   1.392   1.818  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.973   2.752   1.640  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.481   3.241   0.449  1.00  0.00           C  
HETATM   18 CL   UNL     1      -2.676   4.952   0.228  1.00  0.00          Cl  
HETATM   19  C   UNL     1      -2.832   2.369  -0.566  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.672   1.008  -0.396  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.226  -3.234   0.406  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.985  -3.524   1.703  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.382  -3.306   1.495  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.716  -1.966   1.128  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.026  -1.611  -0.192  1.00  0.00           C  
HETATM   26  C   UNL     1       0.312  -1.461  -0.178  1.00  0.00           C  
HETATM   27  C   UNL     1       1.079  -0.155   0.067  1.00  0.00           C  
HETATM   28  C   UNL     1       2.822   1.372  -1.016  1.00  0.00           C  
HETATM   29  H   UNL     1       4.978  -1.702   0.729  1.00  0.00           H  
HETATM   30  H   UNL     1       6.079  -1.321  -0.618  1.00  0.00           H  
HETATM   31 CL   UNL     1       7.018  -0.705   1.500  1.00  0.00          Cl  
HETATM   32  H   UNL     1       3.384  -0.615  -2.516  1.00  0.00           H  
HETATM   33  H   UNL     1       3.039  -1.602  -1.031  1.00  0.00           H  
HETATM   34  H   UNL     1       0.209   1.196  -2.244  1.00  0.00           H  
HETATM   35  H   UNL     1       1.520   0.614  -3.300  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.601  -0.777  -3.422  1.00  0.00           H  
HETATM   37  H   UNL     1       0.848  -1.705  -2.953  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.567  -1.202   1.772  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.420   1.011   2.748  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.700   3.435   2.430  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.229   2.753  -1.495  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.942   0.328  -1.190  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.555  -3.924  -0.371  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.156  -3.356   0.575  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.819  -4.560   1.998  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.628  -2.860   2.490  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.796  -1.880   1.009  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.381  -1.282   1.908  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.242  -0.575  -0.450  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.392  -2.268  -0.981  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.335  -1.669   0.674  1.00  0.00           H  
HETATM   52  H   UNL     1       1.018  -2.280  -0.312  1.00  0.00           H  
HETATM   53  H   UNL     1       1.791  -0.298   0.879  1.00  0.00           H  
HETATM   54  H   UNL     1       0.377   0.636   0.330  1.00  0.00           H  
HETATM   55  H   UNL     1       2.561   2.042  -0.196  1.00  0.00           H  
HETATM   56  H   UNL     1       3.053   1.905  -1.939  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    4    1    1                                       
CONECT    3    2   29   30   31                                       
CONECT    4    5    2   28                                            
CONECT    5    4    6   32   33                                       
CONECT    6    5    7   27   28                                       
CONECT    7    8    6   34   35                                       
CONECT    8    7    9   36   37                                       
CONECT    9    8   26   10                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   21   10   13   25                                       
CONECT   13   12   14   38                                            
CONECT   14   13   15   15   20                                       
CONECT   15   14   14   16   39                                       
CONECT   16   15   17   17   40                                       
CONECT   17   16   16   19   18                                       
CONECT   18   17                                                      
CONECT   19   20   20   17   41                                       
CONECT   20   14   19   19   42                                       
CONECT   21   22   12   43   44                                       
CONECT   22   21   23   45   46                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   47   48                                       
CONECT   25   12   24   49   50                                       
CONECT   26    9   27   51   52                                       
CONECT   27   26    6   53   54                                       
CONECT   28    4    6   55   56                                       
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
