COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.084   0.268  -0.661  1.00  0.00           C  
HETATM    2  C   UNL     1       7.611   0.414  -1.048  1.00  0.00           C  
HETATM    3  C   UNL     1       6.782   0.607   0.196  1.00  0.00           C  
HETATM    4  O   UNL     1       7.316   0.626   1.284  1.00  0.00           O  
HETATM    5  N   UNL     1       5.446   0.758   0.098  1.00  0.00           N  
HETATM    6  C   UNL     1       4.777   0.731  -1.211  1.00  0.00           C  
HETATM    7  C   UNL     1       3.618  -0.270  -1.145  1.00  0.00           C  
HETATM    8  N   UNL     1       2.749   0.067  -0.010  1.00  0.00           N  
HETATM    9  C   UNL     1       3.466  -0.056   1.265  1.00  0.00           C  
HETATM   10  C   UNL     1       4.618   0.947   1.299  1.00  0.00           C  
HETATM   11  C   UNL     1       1.604  -0.714  -0.013  1.00  0.00           C  
HETATM   12  N   UNL     1       1.692  -2.033  -0.026  1.00  0.00           N  
HETATM   13  N   UNL     1       0.672  -2.808  -0.030  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.574  -2.367  -0.021  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.709  -3.318  -0.025  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.804  -3.098  -0.860  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.858  -3.988  -0.860  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.831  -5.096  -0.033  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.748  -5.320   0.799  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.685  -4.440   0.803  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.806  -0.968  -0.006  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.089  -0.419   0.004  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.237   0.958   0.019  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.110   1.798   0.022  1.00  0.00           C  
HETATM   25 CL   UNL     1      -1.325   3.520   0.040  1.00  0.00          Cl  
HETATM   26  C   UNL     1       0.149   1.277   0.012  1.00  0.00           C  
HETATM   27  C   UNL     1       0.325  -0.112   0.004  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.595   1.552   0.029  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.234   1.821   1.243  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.613   1.540   2.418  1.00  0.00           O  
HETATM   31  C   UNL     1      -5.504   2.377   1.244  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.136   2.663   0.049  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.508   2.398  -1.155  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.240   1.850  -1.172  1.00  0.00           C  
HETATM   35  F   UNL     1      -3.629   1.593  -2.350  1.00  0.00           F  
HETATM   36  H   UNL     1       9.204  -0.595  -0.006  1.00  0.00           H  
HETATM   37  H   UNL     1       9.684   0.129  -1.560  1.00  0.00           H  
HETATM   38  H   UNL     1       9.413   1.168  -0.140  1.00  0.00           H  
HETATM   39  H   UNL     1       7.490   1.277  -1.702  1.00  0.00           H  
HETATM   40  H   UNL     1       7.281  -0.486  -1.568  1.00  0.00           H  
HETATM   41  H   UNL     1       4.391   1.723  -1.446  1.00  0.00           H  
HETATM   42  H   UNL     1       5.486   0.420  -1.979  1.00  0.00           H  
HETATM   43  H   UNL     1       3.043  -0.222  -2.070  1.00  0.00           H  
HETATM   44  H   UNL     1       4.014  -1.277  -1.014  1.00  0.00           H  
HETATM   45  H   UNL     1       2.782   0.147   2.089  1.00  0.00           H  
HETATM   46  H   UNL     1       3.864  -1.066   1.363  1.00  0.00           H  
HETATM   47  H   UNL     1       5.222   0.780   2.191  1.00  0.00           H  
HETATM   48  H   UNL     1       4.216   1.961   1.311  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.827  -2.232  -1.506  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.707  -3.818  -1.507  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.659  -5.790  -0.036  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.733  -6.187   1.443  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.838  -4.618   1.449  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.958  -1.062   0.001  1.00  0.00           H  
HETATM   55  H   UNL     1       1.007   1.933   0.014  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.079   2.268   2.764  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.000   2.586   2.180  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.126   3.095   0.055  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.009   2.625  -2.085  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    1    3   39   40                                       
CONECT    3    4    4    2    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   10                                            
CONECT    6    5    7   41   42                                       
CONECT    7    6    8   43   44                                       
CONECT    8    7    9   11                                            
CONECT    9   10    8   45   46                                       
CONECT   10    5    9   47   48                                       
CONECT   11    8   27   27   12                                       
CONECT   12   11   13   13                                            
CONECT   13   12   12   14                                            
CONECT   14   21   21   13   15                                       
CONECT   15   14   20   20   16                                       
CONECT   16   15   17   17   49                                       
CONECT   17   16   16   18   50                                       
CONECT   18   19   19   17   51                                       
CONECT   19   20   18   18   52                                       
CONECT   20   15   15   19   53                                       
CONECT   21   27   22   14   14                                       
CONECT   22   23   23   21   54                                       
CONECT   23   24   28   22   22                                       
CONECT   24   25   26   26   23                                       
CONECT   25   24                                                      
CONECT   26   24   24   27   55                                       
CONECT   27   26   11   11   21                                       
CONECT   28   34   23   29   29                                       
CONECT   29   28   28   31   30                                       
CONECT   30   29   56                                                 
CONECT   31   32   32   29   57                                       
CONECT   32   33   31   31   58                                       
CONECT   33   34   34   32   59                                       
CONECT   34   35   33   33   28                                       
CONECT   35   34                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   22                                                      
CONECT   55   26                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
CONECT   59   33                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
