COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -6.228   2.393  -1.191  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -4.684   1.731  -0.752  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.943   2.324   0.258  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.719   1.799   0.607  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.227   0.673  -0.056  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.974   0.081  -1.069  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.204   0.611  -1.409  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.888   2.418   1.700  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.114   1.324   2.434  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.404   0.459   1.498  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.908   0.134   0.343  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.217  -0.706  -0.503  1.00  0.00           N  
HETATM   13  C   UNL     1       1.040  -1.317  -0.063  1.00  0.00           C  
HETATM   14  C   UNL     1       1.256  -2.635  -0.810  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.102   1.975   3.380  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.093   0.480   3.253  1.00  0.00           C  
HETATM   17  C   UNL     1       2.183  -0.380  -0.356  1.00  0.00           C  
HETATM   18  N   UNL     1       3.217  -0.346   0.506  1.00  0.00           N  
HETATM   19  C   UNL     1       3.104   1.212  -1.766  1.00  0.00           C  
HETATM   20  N   UNL     1       2.122   0.351  -1.434  1.00  0.00           N  
HETATM   21  O   UNL     1       3.032   1.888  -2.777  1.00  0.00           O  
HETATM   22  C   UNL     1       0.185  -3.618  -0.413  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.947  -3.759  -1.194  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.929  -4.661  -0.830  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.780  -5.422   0.314  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.647  -5.281   1.095  1.00  0.00           C  
HETATM   27  C   UNL     1       0.337  -4.383   0.728  1.00  0.00           C  
HETATM   28  C   UNL     1       4.272   1.303  -0.874  1.00  0.00           C  
HETATM   29  C   UNL     1       4.285   0.489   0.277  1.00  0.00           C  
HETATM   30  C   UNL     1       5.383   0.566   1.128  1.00  0.00           C  
HETATM   31  C   UNL     1       6.407   1.432   0.806  1.00  0.00           C  
HETATM   32  N   UNL     1       6.363   2.182  -0.282  1.00  0.00           N  
HETATM   33  C   UNL     1       5.347   2.148  -1.122  1.00  0.00           C  
HETATM   34  H   UNL     1      -4.324   3.195   0.770  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.597  -0.790  -1.585  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.790   0.153  -2.192  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.186   3.129   1.264  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.539   2.936   2.403  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.563  -0.893  -1.390  1.00  0.00           H  
HETATM   40  H   UNL     1       0.994  -1.510   1.009  1.00  0.00           H  
HETATM   41  H   UNL     1       1.205  -2.456  -1.884  1.00  0.00           H  
HETATM   42  H   UNL     1       2.234  -3.041  -0.555  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.628   2.599   4.102  1.00  0.00           H  
HETATM   44  H   UNL     1       0.454   1.199   3.907  1.00  0.00           H  
HETATM   45  H   UNL     1       0.590   2.589   2.804  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.870   0.088   2.597  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.558  -0.347   3.719  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.549   1.099   4.025  1.00  0.00           H  
HETATM   49  H   UNL     1       3.207  -0.913   1.293  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.064  -3.165  -2.088  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.814  -4.772  -1.440  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.547  -6.127   0.599  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.530  -5.875   1.989  1.00  0.00           H  
HETATM   54  H   UNL     1       1.224  -4.276   1.335  1.00  0.00           H  
HETATM   55  H   UNL     1       5.432  -0.040   2.020  1.00  0.00           H  
HETATM   56  H   UNL     1       7.264   1.501   1.459  1.00  0.00           H  
HETATM   57  H   UNL     1       5.350   2.777  -2.001  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    7    7    3                                       
CONECT    3    2    4    4   34                                       
CONECT    4    3    3    5    8                                       
CONECT    5    6    6    4   11                                       
CONECT    6    7    5    5   35                                       
CONECT    7    2    2    6   36                                       
CONECT    8    4    9   37   38                                       
CONECT    9    8   10   16   15                                       
CONECT   10   11   11    9                                            
CONECT   11    5   12   10   10                                       
CONECT   12   11   13   39                                            
CONECT   13   17   12   14   40                                       
CONECT   14   13   22   41   42                                       
CONECT   15    9   43   44   45                                       
CONECT   16    9   46   47   48                                       
CONECT   17   18   20   20   13                                       
CONECT   18   29   17   49                                            
CONECT   19   28   21   21   20                                       
CONECT   20   19   17   17                                            
CONECT   21   19   19                                                 
CONECT   22   14   27   27   23                                       
CONECT   23   22   24   24   50                                       
CONECT   24   23   23   25   51                                       
CONECT   25   26   26   24   52                                       
CONECT   26   27   25   25   53                                       
CONECT   27   22   22   26   54                                       
CONECT   28   33   33   29   19                                       
CONECT   29   30   30   28   18                                       
CONECT   30   31   29   29   55                                       
CONECT   31   32   32   30   56                                       
CONECT   32   31   31   33                                            
CONECT   33   32   28   28   57                                       
CONECT   34    3                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   18                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
CONECT   57   33                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
