COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.604   4.965  -2.249  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.743   4.589  -0.772  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.336   3.254  -0.662  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.462   2.670   0.546  1.00  0.00           C  
HETATM    5  O   UNL     1      -1.166   3.283   1.550  1.00  0.00           O  
HETATM    6  C   UNL     1      -1.972   1.256   0.650  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.495   1.272   0.792  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.113   1.787  -0.482  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.977   1.051  -1.136  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.353   0.579   1.875  1.00  0.00           C  
HETATM   11  N   UNL     1       0.104   0.506   1.719  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.873  -0.831   1.997  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.547  -1.344   2.986  1.00  0.00           N  
HETATM   14  N   UNL     1      -2.780  -2.588   2.751  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.275  -2.925   1.593  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.317  -4.292   0.959  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.707  -1.807   1.070  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.105  -1.658  -0.181  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.628  -2.373  -1.254  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.091  -2.235  -2.517  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.020  -1.375  -2.725  1.00  0.00           C  
HETATM   22  O   UNL     1       0.499  -1.227  -3.972  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.106  -1.986  -5.021  1.00  0.00           C  
HETATM   24  C   UNL     1       0.517  -0.670  -1.666  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.009  -0.814  -0.374  1.00  0.00           C  
HETATM   26  C   UNL     1       0.653  -0.099   0.723  1.00  0.00           C  
HETATM   27  C   UNL     1       2.133  -0.068   0.680  1.00  0.00           C  
HETATM   28  C   UNL     1       2.830   0.964   1.306  1.00  0.00           C  
HETATM   29  C   UNL     1       4.209   0.988   1.263  1.00  0.00           C  
HETATM   30  C   UNL     1       4.900  -0.012   0.599  1.00  0.00           C  
HETATM   31 CL   UNL     1       6.635   0.028   0.541  1.00  0.00          Cl  
HETATM   32  C   UNL     1       4.213  -1.039  -0.025  1.00  0.00           C  
HETATM   33  C   UNL     1       2.834  -1.076   0.017  1.00  0.00           C  
HETATM   34  H   UNL     1      -0.162   5.958  -2.331  1.00  0.00           H  
HETATM   35  H   UNL     1       0.038   4.240  -2.750  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.588   4.965  -2.718  1.00  0.00           H  
HETATM   37  H   UNL     1       0.241   4.589  -0.303  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.384   5.314  -0.271  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.638   2.790  -1.459  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.696   0.703  -0.248  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.853   0.261   0.986  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.776   1.922   1.620  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.843   2.764  -0.857  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.247   0.075  -0.762  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.420   1.420  -2.049  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.601   1.144   2.773  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.216  -4.382   0.350  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.437  -4.427   0.331  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.327  -5.054   1.739  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.461  -3.041  -1.096  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.503  -2.795  -3.343  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.024  -3.049  -4.794  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.158  -1.714  -5.107  1.00  0.00           H  
HETATM   54  H   UNL     1       0.402  -1.775  -5.962  1.00  0.00           H  
HETATM   55  H   UNL     1       1.349  -0.002  -1.835  1.00  0.00           H  
HETATM   56  H   UNL     1       2.292   1.745   1.824  1.00  0.00           H  
HETATM   57  H   UNL     1       4.750   1.787   1.748  1.00  0.00           H  
HETATM   58  H   UNL     1       4.757  -1.816  -0.542  1.00  0.00           H  
HETATM   59  H   UNL     1       2.299  -1.878  -0.470  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    1    3   37   38                                       
CONECT    3    4    2   39                                            
CONECT    4    5    5    3    6                                       
CONECT    5    4    4                                                 
CONECT    6    4   10    7   40                                       
CONECT    7    6    8   41   42                                       
CONECT    8    7    9    9   43                                       
CONECT    9    8    8   44   45                                       
CONECT   10   11    6   12   46                                       
CONECT   11   26   26   10                                            
CONECT   12   10   17   13   13                                       
CONECT   13   12   12   14                                            
CONECT   14   13   15   15                                            
CONECT   15   17   14   14   16                                       
CONECT   16   15   47   48   49                                       
CONECT   17   12   18   15                                            
CONECT   18   25   17   19   19                                       
CONECT   19   18   18   20   50                                       
CONECT   20   21   21   19   51                                       
CONECT   21   24   22   20   20                                       
CONECT   22   21   23                                                 
CONECT   23   22   52   53   54                                       
CONECT   24   25   25   21   55                                       
CONECT   25   26   24   24   18                                       
CONECT   26   27   11   11   25                                       
CONECT   27   33   33   28   26                                       
CONECT   28   29   29   27   56                                       
CONECT   29   30   28   28   57                                       
CONECT   30   31   32   32   29                                       
CONECT   31   30                                                      
CONECT   32   30   30   33   58                                       
CONECT   33   32   27   27   59                                       
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   23                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   32                                                      
CONECT   59   33                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
