COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.124  -3.740  -1.069  1.00  0.00           C  
HETATM    2  C   UNL     1       3.507  -5.221  -1.014  1.00  0.00           C  
HETATM    3  N   UNL     1       3.465  -5.688   0.378  1.00  0.00           N  
HETATM    4  C   UNL     1       4.429  -4.959   1.212  1.00  0.00           C  
HETATM    5  C   UNL     1       4.073  -3.470   1.224  1.00  0.00           C  
HETATM    6  C   UNL     1       4.101  -2.933  -0.210  1.00  0.00           C  
HETATM    7  N   UNL     1       3.704  -1.523  -0.212  1.00  0.00           N  
HETATM    8  C   UNL     1       4.622  -0.564   0.021  1.00  0.00           C  
HETATM    9  O   UNL     1       5.780  -0.869   0.233  1.00  0.00           O  
HETATM   10  C   UNL     1       4.222   0.859   0.019  1.00  0.00           C  
HETATM   11  C   UNL     1       2.893   1.212  -0.217  1.00  0.00           C  
HETATM   12  C   UNL     1       5.171   1.855   0.260  1.00  0.00           C  
HETATM   13  C   UNL     1       4.794   3.182   0.259  1.00  0.00           C  
HETATM   14  C   UNL     1       5.821   4.254   0.520  1.00  0.00           C  
HETATM   15  C   UNL     1       6.447   4.694  -0.805  1.00  0.00           C  
HETATM   16  C   UNL     1       3.479   3.532   0.019  1.00  0.00           C  
HETATM   17  C   UNL     1       2.525   2.549  -0.217  1.00  0.00           C  
HETATM   18  N   UNL     1       1.195   2.908  -0.453  1.00  0.00           N  
HETATM   19  C   UNL     1       0.178   2.024  -0.154  1.00  0.00           C  
HETATM   20  S   UNL     1      -1.469   2.267  -0.540  1.00  0.00           S  
HETATM   21  N   UNL     1       0.341   0.886   0.458  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.728   0.160   0.667  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.883   0.722   0.197  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.222   0.142   0.289  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.382  -0.940   0.824  1.00  0.00           O  
HETATM   26  N   UNL     1      -4.280   0.805  -0.218  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.574   0.308  -0.029  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.869  -1.009  -0.360  1.00  0.00           C  
HETATM   29 CL   UNL     1      -4.633  -2.041  -1.008  1.00  0.00          Cl  
HETATM   30  C   UNL     1      -7.148  -1.496  -0.171  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.134  -0.674   0.346  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.843   0.636   0.675  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.564   1.128   0.495  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.247   2.555   0.860  1.00  0.00           C  
HETATM   35  H   UNL     1       3.170  -3.390  -2.100  1.00  0.00           H  
HETATM   36  H   UNL     1       2.111  -3.612  -0.686  1.00  0.00           H  
HETATM   37  H   UNL     1       2.805  -5.801  -1.613  1.00  0.00           H  
HETATM   38  H   UNL     1       4.515  -5.350  -1.410  1.00  0.00           H  
HETATM   39  H   UNL     1       2.532  -5.615   0.756  1.00  0.00           H  
HETATM   40  H   UNL     1       4.396  -5.348   2.230  1.00  0.00           H  
HETATM   41  H   UNL     1       5.432  -5.089   0.806  1.00  0.00           H  
HETATM   42  H   UNL     1       3.076  -3.338   1.643  1.00  0.00           H  
HETATM   43  H   UNL     1       4.798  -2.928   1.831  1.00  0.00           H  
HETATM   44  H   UNL     1       5.108  -3.028  -0.616  1.00  0.00           H  
HETATM   45  H   UNL     1       2.780  -1.279  -0.380  1.00  0.00           H  
HETATM   46  H   UNL     1       2.154   0.447  -0.400  1.00  0.00           H  
HETATM   47  H   UNL     1       6.200   1.585   0.448  1.00  0.00           H  
HETATM   48  H   UNL     1       5.341   5.109   0.997  1.00  0.00           H  
HETATM   49  H   UNL     1       6.598   3.861   1.176  1.00  0.00           H  
HETATM   50  H   UNL     1       7.189   5.470  -0.617  1.00  0.00           H  
HETATM   51  H   UNL     1       6.927   3.840  -1.282  1.00  0.00           H  
HETATM   52  H   UNL     1       5.670   5.087  -1.461  1.00  0.00           H  
HETATM   53  H   UNL     1       3.190   4.573   0.019  1.00  0.00           H  
HETATM   54  H   UNL     1       0.986   3.778  -0.827  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.700  -0.798   1.165  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.144   1.628  -0.715  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.379  -2.520  -0.428  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.133  -1.058   0.492  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.615   1.275   1.077  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.424   3.199  -0.001  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.885   2.869   1.686  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.201   2.630   1.160  1.00  0.00           H  
CONECT    1    2    6   35   36                                       
CONECT    2    1    3   37   38                                       
CONECT    3    2    4   39                                            
CONECT    4    3    5   40   41                                       
CONECT    5    6    4   42   43                                       
CONECT    6    1    7    5   44                                       
CONECT    7    6    8   45                                            
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   11   12                                       
CONECT   11   10   10   17   46                                       
CONECT   12   10   13   13   47                                       
CONECT   13   12   12   16   14                                       
CONECT   14   13   15   48   49                                       
CONECT   15   14   50   51   52                                       
CONECT   16   17   17   13   53                                       
CONECT   17   11   18   16   16                                       
CONECT   18   17   19   54                                            
CONECT   19   18   21   21   20                                       
CONECT   20   19   23                                                 
CONECT   21   19   19   22                                            
CONECT   22   21   23   23   55                                       
CONECT   23   22   22   20   24                                       
CONECT   24   23   26   25   25                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   56                                            
CONECT   27   26   33   33   28                                       
CONECT   28   27   29   30   30                                       
CONECT   29   28                                                      
CONECT   30   28   28   31   57                                       
CONECT   31   32   32   30   58                                       
CONECT   32   33   31   31   59                                       
CONECT   33   34   27   27   32                                       
CONECT   34   33   60   61   62                                       
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   18                                                      
CONECT   55   22                                                      
CONECT   56   26                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   34                                                      
CONECT   61   34                                                      
CONECT   62   34                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
