COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.563  -3.103   0.693  1.00  0.00           C  
HETATM    2  C   UNL     1       7.420  -2.238   0.229  1.00  0.00           C  
HETATM    3  C   UNL     1       7.597  -1.344  -0.819  1.00  0.00           C  
HETATM    4  C   UNL     1       6.521  -0.569  -1.214  1.00  0.00           C  
HETATM    5  C   UNL     1       5.307  -0.709  -0.552  1.00  0.00           C  
HETATM    6  N   UNL     1       5.178  -1.572   0.444  1.00  0.00           N  
HETATM    7  C   UNL     1       6.184  -2.329   0.838  1.00  0.00           C  
HETATM    8  N   UNL     1       4.215   0.066  -0.939  1.00  0.00           N  
HETATM    9  C   UNL     1       3.009  -0.137  -0.373  1.00  0.00           C  
HETATM   10  O   UNL     1       2.893  -0.929   0.539  1.00  0.00           O  
HETATM   11  C   UNL     1       1.805   0.620  -0.871  1.00  0.00           C  
HETATM   12  C   UNL     1       2.043   2.122  -0.706  1.00  0.00           C  
HETATM   13  O   UNL     1       2.371   2.406   0.656  1.00  0.00           O  
HETATM   14  C   UNL     1       2.614   3.789   0.919  1.00  0.00           C  
HETATM   15  C   UNL     1       1.301   4.472   1.311  1.00  0.00           C  
HETATM   16  C   UNL     1       3.619   3.921   2.065  1.00  0.00           C  
HETATM   17  O   UNL     1       0.654   0.234  -0.117  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.541   0.285  -0.751  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.724  -0.071  -0.084  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.053  -0.533   1.257  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.343  -0.709   1.310  1.00  0.00           N  
HETATM   22  N   UNL     1      -3.921  -0.393   0.075  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.942   0.000  -0.791  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.921   0.400  -2.061  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.786   0.723  -2.643  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.624   0.677  -2.016  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.283  -0.469  -0.224  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.182  -0.882   0.755  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.530  -0.952   0.445  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.933  -0.605  -0.838  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.985  -0.205  -1.759  1.00  0.00           C  
HETATM   32  N   UNL     1      -5.708  -0.143  -1.434  1.00  0.00           N  
HETATM   33 CL   UNL     1      -5.621  -1.304   2.343  1.00  0.00          Cl  
HETATM   34  H   UNL     1       8.561  -4.038   0.132  1.00  0.00           H  
HETATM   35  H   UNL     1       9.505  -2.581   0.525  1.00  0.00           H  
HETATM   36  H   UNL     1       8.450  -3.316   1.755  1.00  0.00           H  
HETATM   37  H   UNL     1       8.552  -1.257  -1.314  1.00  0.00           H  
HETATM   38  H   UNL     1       6.623   0.137  -2.025  1.00  0.00           H  
HETATM   39  H   UNL     1       6.040  -3.025   1.651  1.00  0.00           H  
HETATM   40  H   UNL     1       4.323   0.752  -1.617  1.00  0.00           H  
HETATM   41  H   UNL     1       1.643   0.392  -1.924  1.00  0.00           H  
HETATM   42  H   UNL     1       2.866   2.433  -1.350  1.00  0.00           H  
HETATM   43  H   UNL     1       1.140   2.666  -0.983  1.00  0.00           H  
HETATM   44  H   UNL     1       3.018   4.264   0.025  1.00  0.00           H  
HETATM   45  H   UNL     1       0.898   3.997   2.205  1.00  0.00           H  
HETATM   46  H   UNL     1       1.487   5.527   1.512  1.00  0.00           H  
HETATM   47  H   UNL     1       0.585   4.378   0.495  1.00  0.00           H  
HETATM   48  H   UNL     1       4.554   3.435   1.787  1.00  0.00           H  
HETATM   49  H   UNL     1       3.804   4.976   2.266  1.00  0.00           H  
HETATM   50  H   UNL     1       3.215   3.446   2.960  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.354  -0.700   2.063  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.806   1.044  -3.674  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.251  -1.269   1.184  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.976  -0.650  -1.112  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.294   0.066  -2.758  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4   37                                       
CONECT    4    3    5    5   38                                       
CONECT    5    4    4    6    8                                       
CONECT    6    7    7    5                                            
CONECT    7    2    6    6   39                                       
CONECT    8    5    9   40                                            
CONECT    9   10   10    8   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   17   41                                       
CONECT   12   11   13   42   43                                       
CONECT   13   12   14                                                 
CONECT   14   15   13   16   44                                       
CONECT   15   14   45   46   47                                       
CONECT   16   14   48   49   50                                       
CONECT   17   11   18                                                 
CONECT   18   17   19   19   26                                       
CONECT   19   20   18   18   23                                       
CONECT   20   21   21   19   51                                       
CONECT   21   20   20   22                                            
CONECT   22   21   23   27                                            
CONECT   23   19   22   24   24                                       
CONECT   24   23   23   25                                            
CONECT   25   26   26   24   52                                       
CONECT   26   18   25   25                                            
CONECT   27   22   28   32   32                                       
CONECT   28   33   29   29   27                                       
CONECT   29   28   28   30   53                                       
CONECT   30   29   31   31   54                                       
CONECT   31   32   30   30   55                                       
CONECT   32   27   27   31                                            
CONECT   33   28                                                      
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   20                                                      
CONECT   52   25                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
