COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1      -5.324   2.608  -2.319  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.932   2.718  -1.122  1.00  0.00           C  
HETATM    3  O   UNL     1      -6.522   3.739  -0.832  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.881   1.596  -0.162  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.323   0.375  -0.540  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.387   1.757   1.130  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.987   3.075   1.546  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.338   0.707   2.024  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.789  -0.504   1.647  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.279  -0.672   0.366  1.00  0.00           C  
HETATM   11  O   UNL     1      -4.735  -1.863   0.002  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.387  -1.957  -0.050  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.692  -3.100  -0.309  1.00  0.00           N  
HETATM   14  N   UNL     1      -2.557  -0.962   0.136  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.279  -1.402   0.014  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.098  -0.799   0.110  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.347  -2.778  -0.273  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.175  -3.500  -0.454  1.00  0.00           C  
HETATM   19  C   UNL     1       1.032  -2.833  -0.341  1.00  0.00           C  
HETATM   20 CL   UNL     1       2.529  -3.686  -0.557  1.00  0.00          Cl  
HETATM   21  C   UNL     1       1.035  -1.466  -0.055  1.00  0.00           C  
HETATM   22  C   UNL     1       2.326  -0.748   0.062  1.00  0.00           C  
HETATM   23  C   UNL     1       3.437  -1.395   0.604  1.00  0.00           C  
HETATM   24  C   UNL     1       4.637  -0.729   0.712  1.00  0.00           C  
HETATM   25  C   UNL     1       2.433   0.572  -0.376  1.00  0.00           C  
HETATM   26  C   UNL     1       3.633   1.239  -0.268  1.00  0.00           C  
HETATM   27  C   UNL     1       4.742   0.594   0.280  1.00  0.00           C  
HETATM   28  C   UNL     1       6.034   1.311   0.397  1.00  0.00           C  
HETATM   29  C   UNL     1       6.729   1.308   1.605  1.00  0.00           C  
HETATM   30  C   UNL     1       7.931   1.978   1.708  1.00  0.00           C  
HETATM   31  C   UNL     1       8.450   2.654   0.617  1.00  0.00           C  
HETATM   32  C   UNL     1       7.768   2.663  -0.585  1.00  0.00           C  
HETATM   33  C   UNL     1       6.563   1.990  -0.706  1.00  0.00           C  
HETATM   34  O   UNL     1       5.896   1.993  -1.889  1.00  0.00           O  
HETATM   35  H   UNL     1      -5.384   3.368  -2.914  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.926   0.246  -1.536  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.025   3.123   1.215  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.948   3.165   2.632  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.424   3.890   1.093  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.730   0.832   3.023  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.753  -1.322   2.351  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.069  -3.976  -0.486  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.205  -4.557  -0.677  1.00  0.00           H  
HETATM   44  H   UNL     1       3.355  -2.418   0.939  1.00  0.00           H  
HETATM   45  H   UNL     1       5.497  -1.229   1.132  1.00  0.00           H  
HETATM   46  H   UNL     1       1.574   1.072  -0.800  1.00  0.00           H  
HETATM   47  H   UNL     1       3.716   2.261  -0.607  1.00  0.00           H  
HETATM   48  H   UNL     1       6.328   0.783   2.458  1.00  0.00           H  
HETATM   49  H   UNL     1       8.469   1.975   2.645  1.00  0.00           H  
HETATM   50  H   UNL     1       9.391   3.176   0.706  1.00  0.00           H  
HETATM   51  H   UNL     1       8.178   3.192  -1.433  1.00  0.00           H  
HETATM   52  H   UNL     1       5.273   2.727  -1.987  1.00  0.00           H  
CONECT    1    2   35                                                 
CONECT    2    3    3    4    1                                       
CONECT    3    2    2                                                 
CONECT    4    2    6    6    5                                       
CONECT    5    4   10   10   36                                       
CONECT    6    7    4    4    8                                       
CONECT    7    6   37   38   39                                       
CONECT    8    6    9    9   40                                       
CONECT    9    8    8   10   41                                       
CONECT   10    5    5    9   11                                       
CONECT   11   10   12                                                 
CONECT   12   11   14   14   13                                       
CONECT   13   12   17   42                                            
CONECT   14   12   12   15                                            
CONECT   15   14   17   17   16                                       
CONECT   16   15   21   21                                            
CONECT   17   13   15   15   18                                       
CONECT   18   17   19   19   43                                       
CONECT   19   18   18   21   20                                       
CONECT   20   19                                                      
CONECT   21   16   16   19   22                                       
CONECT   22   21   23   23   25                                       
CONECT   23   22   22   24   44                                       
CONECT   24   23   27   27   45                                       
CONECT   25   22   26   26   46                                       
CONECT   26   25   25   27   47                                       
CONECT   27   24   24   26   28                                       
CONECT   28   27   33   33   29                                       
CONECT   29   28   30   30   48                                       
CONECT   30   29   29   31   49                                       
CONECT   31   32   32   30   50                                       
CONECT   32   33   31   31   51                                       
CONECT   33   34   28   28   32                                       
CONECT   34   33   52                                                 
CONECT   35    1                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   13                                                      
CONECT   43   18                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
CONECT   50   31                                                      
CONECT   51   32                                                      
CONECT   52   34                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
