COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.392   0.962   0.251  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.968   0.120   1.237  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.635  -0.324   1.252  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.751   0.112   0.235  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.213   0.979  -0.767  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.514   1.393  -0.754  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.197  -1.150   2.209  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.955  -1.574   2.237  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.029  -1.190   1.276  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.412  -0.338   0.255  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.530   0.054  -0.697  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.238  -0.354  -0.577  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.883  -1.644  -0.943  1.00  0.00           C  
HETATM   14  C   UNL     1       0.433  -2.061  -0.822  1.00  0.00           C  
HETATM   15  C   UNL     1       1.393  -1.178  -0.333  1.00  0.00           C  
HETATM   16  C   UNL     1       1.035   0.109   0.033  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.278   0.523  -0.093  1.00  0.00           C  
HETATM   18  O   UNL     1       0.772  -3.328  -1.179  1.00  0.00           O  
HETATM   19  C   UNL     1       2.147  -3.596  -1.463  1.00  0.00           C  
HETATM   20  C   UNL     1       3.007  -3.042  -0.319  1.00  0.00           C  
HETATM   21  N   UNL     1       2.731  -1.598  -0.214  1.00  0.00           N  
HETATM   22  O   UNL     1      -6.962   2.233  -1.725  1.00  0.00           O  
HETATM   23  O   UNL     1      -8.684   1.385   0.239  1.00  0.00           O  
HETATM   24  C   UNL     1       3.725  -0.711  -0.013  1.00  0.00           C  
HETATM   25  O   UNL     1       3.481   0.480   0.015  1.00  0.00           O  
HETATM   26  N   UNL     1       4.990  -1.144   0.159  1.00  0.00           N  
HETATM   27  C   UNL     1       6.043  -0.223   0.219  1.00  0.00           C  
HETATM   28  C   UNL     1       5.800   1.086   0.614  1.00  0.00           C  
HETATM   29  C   UNL     1       6.840   1.992   0.673  1.00  0.00           C  
HETATM   30  C   UNL     1       8.124   1.597   0.340  1.00  0.00           C  
HETATM   31  C   UNL     1       8.369   0.293  -0.053  1.00  0.00           C  
HETATM   32  C   UNL     1       7.333  -0.619  -0.109  1.00  0.00           C  
HETATM   33 CL   UNL     1       9.429   2.739   0.416  1.00  0.00          Cl  
HETATM   34  C   UNL     1      -6.019   2.636  -2.721  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.531   0.912   1.288  1.00  0.00           C  
HETATM   36  H   UNL     1      -7.655  -0.204   2.005  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.544   1.316  -1.544  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.645  -2.240   3.028  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.013  -1.555   1.325  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.632  -2.323  -1.322  1.00  0.00           H  
HETATM   41  H   UNL     1       1.782   0.790   0.414  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.557   1.527   0.188  1.00  0.00           H  
HETATM   43  H   UNL     1       2.300  -4.672  -1.547  1.00  0.00           H  
HETATM   44  H   UNL     1       2.427  -3.114  -2.400  1.00  0.00           H  
HETATM   45  H   UNL     1       2.743  -3.537   0.616  1.00  0.00           H  
HETATM   46  H   UNL     1       4.062  -3.203  -0.537  1.00  0.00           H  
HETATM   47  H   UNL     1       5.171  -2.093   0.240  1.00  0.00           H  
HETATM   48  H   UNL     1       4.798   1.395   0.873  1.00  0.00           H  
HETATM   49  H   UNL     1       6.652   3.011   0.979  1.00  0.00           H  
HETATM   50  H   UNL     1       9.371  -0.013  -0.313  1.00  0.00           H  
HETATM   51  H   UNL     1       7.525  -1.638  -0.412  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.188   3.156  -2.244  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.644   1.756  -3.244  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.505   3.303  -3.433  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.578  -0.176   1.254  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.128   1.229   2.250  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.532   1.324   1.160  1.00  0.00           H  
CONECT    1   23    2    2    6                                       
CONECT    2    1    1    3   36                                       
CONECT    3    2    7    7    4                                       
CONECT    4    3    5   10   10                                       
CONECT    5    4    6    6   37                                       
CONECT    6    1    5    5   22                                       
CONECT    7    3    3    8                                            
CONECT    8    7    9    9   38                                       
CONECT    9    8    8   10   39                                       
CONECT   10    4    4    9   11                                       
CONECT   11   10   12                                                 
CONECT   12   11   17   17   13                                       
CONECT   13   12   14   14   40                                       
CONECT   14   13   13   15   18                                       
CONECT   15   14   16   16   21                                       
CONECT   16   15   15   17   41                                       
CONECT   17   12   12   16   42                                       
CONECT   18   14   19                                                 
CONECT   19   18   20   43   44                                       
CONECT   20   19   21   45   46                                       
CONECT   21   15   20   24                                            
CONECT   22    6   34                                                 
CONECT   23    1   35                                                 
CONECT   24   21   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   47                                            
CONECT   27   26   28   28   32                                       
CONECT   28   27   27   29   48                                       
CONECT   29   28   30   30   49                                       
CONECT   30   29   29   33   31                                       
CONECT   31   30   32   32   50                                       
CONECT   32   27   31   31   51                                       
CONECT   33   30                                                      
CONECT   34   22   52   53   54                                       
CONECT   35   23   55   56   57                                       
CONECT   36    2                                                      
CONECT   37    5                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   13                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   26                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
CONECT   50   31                                                      
CONECT   51   32                                                      
CONECT   52   34                                                      
CONECT   53   34                                                      
CONECT   54   34                                                      
CONECT   55   35                                                      
CONECT   56   35                                                      
CONECT   57   35                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
