COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.698  -0.673   1.402  1.00  0.00           C  
HETATM    2  C   UNL     1       1.672  -0.900   0.179  1.00  0.00           C  
HETATM    3  C   UNL     1       1.032  -0.270   1.238  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.327  -0.045   1.189  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.060  -0.451   0.072  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.412  -1.083  -0.991  1.00  0.00           C  
HETATM    7  C   UNL     1       0.947  -1.305  -0.934  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.519  -0.212   0.016  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.998   1.057  -0.002  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.069   2.193  -0.109  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.090   2.209  -1.108  1.00  0.00           C  
HETATM   12 CL   UNL     1      -4.707   1.341   0.103  1.00  0.00          Cl  
HETATM   13  C   UNL     1      -2.164   3.266   0.784  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.290   4.327   0.676  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.321   4.332  -0.312  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.224   3.277  -1.203  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.455  -1.357  -0.022  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.551  -2.220   1.070  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.425  -3.286   1.028  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.207  -3.500  -0.093  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.116  -2.648  -1.180  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.250  -1.575  -1.148  1.00  0.00           C  
HETATM   23  O   UNL     1       3.013  -1.115   0.228  1.00  0.00           O  
HETATM   24  H   UNL     1       3.569   0.403   1.514  1.00  0.00           H  
HETATM   25  H   UNL     1       3.287  -1.181   2.275  1.00  0.00           H  
HETATM   26  H   UNL     1       1.600   0.043   2.102  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.824   0.444   2.013  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.976  -1.398  -1.857  1.00  0.00           H  
HETATM   29  H   UNL     1       1.448  -1.794  -1.756  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.013   1.386  -1.803  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.920   3.263   1.555  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.362   5.156   1.364  1.00  0.00           H  
HETATM   33  H   UNL     1       0.360   5.167  -0.392  1.00  0.00           H  
HETATM   34  H   UNL     1       0.533   3.291  -1.973  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.941  -2.055   1.946  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.501  -3.955   1.873  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.890  -4.336  -0.121  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.729  -2.821  -2.052  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.184  -0.908  -1.995  1.00  0.00           H  
HETATM   40  C   UNL     1       5.187  -0.999   1.277  1.00  0.00           C  
HETATM   41  N   UNL     1       5.785  -0.163   0.227  1.00  0.00           N  
HETATM   42  C   UNL     1       7.249  -0.141   0.341  1.00  0.00           C  
HETATM   43  C   UNL     1       7.808   1.020  -0.484  1.00  0.00           C  
HETATM   44  C   UNL     1       5.367  -0.616  -1.107  1.00  0.00           C  
HETATM   45  C   UNL     1       5.768  -2.080  -1.297  1.00  0.00           C  
HETATM   46  H   UNL     1       5.684  -0.800   2.226  1.00  0.00           H  
HETATM   47  H   UNL     1       5.308  -2.051   1.017  1.00  0.00           H  
HETATM   48  H   UNL     1       7.530  -0.013   1.386  1.00  0.00           H  
HETATM   49  H   UNL     1       7.657  -1.081  -0.032  1.00  0.00           H  
HETATM   50  H   UNL     1       8.897   0.990  -0.462  1.00  0.00           H  
HETATM   51  H   UNL     1       7.463   0.932  -1.515  1.00  0.00           H  
HETATM   52  H   UNL     1       7.461   1.964  -0.064  1.00  0.00           H  
HETATM   53  H   UNL     1       4.286  -0.520  -1.201  1.00  0.00           H  
HETATM   54  H   UNL     1       5.854  -0.004  -1.867  1.00  0.00           H  
HETATM   55  H   UNL     1       6.834  -2.194  -1.102  1.00  0.00           H  
HETATM   56  H   UNL     1       5.203  -2.704  -0.605  1.00  0.00           H  
HETATM   57  H   UNL     1       5.552  -2.386  -2.321  1.00  0.00           H  
CONECT    1   23   24   25   40                                       
CONECT    2   23    7    7    3                                       
CONECT    3    2    4    4   26                                       
CONECT    4    3    3    5   27                                       
CONECT    5    6    6    4    8                                       
CONECT    6    7    5    5   28                                       
CONECT    7    2    2    6   29                                       
CONECT    8    5   17    9    9                                       
CONECT    9    8    8   10   12                                       
CONECT   10    9   11   11   13                                       
CONECT   11   10   10   16   30                                       
CONECT   12    9                                                      
CONECT   13   10   14   14   31                                       
CONECT   14   13   13   15   32                                       
CONECT   15   16   16   14   33                                       
CONECT   16   11   15   15   34                                       
CONECT   17   18    8   22   22                                       
CONECT   18   19   19   17   35                                       
CONECT   19   18   18   20   36                                       
CONECT   20   19   21   21   37                                       
CONECT   21   20   20   22   38                                       
CONECT   22   17   17   21   39                                       
CONECT   23    1    2                                                 
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30   11                                                      
CONECT   31   13                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40    1   41   46   47                                       
CONECT   41   40   42   44                                            
CONECT   42   41   43   48   49                                       
CONECT   43   42   50   51   52                                       
CONECT   44   41   45   53   54                                       
CONECT   45   44   55   56   57                                       
CONECT   46   40                                                      
CONECT   47   40                                                      
CONECT   48   42                                                      
CONECT   49   42                                                      
CONECT   50   43                                                      
CONECT   51   43                                                      
CONECT   52   43                                                      
CONECT   53   44                                                      
CONECT   54   44                                                      
CONECT   55   45                                                      
CONECT   56   45                                                      
CONECT   57   45                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
