COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.943  -0.931  -0.130  1.00  0.00           C  
HETATM    2  C   UNL     1       5.633   2.318  -0.452  1.00  0.00           C  
HETATM    3  C   UNL     1       4.379   1.968   0.074  1.00  0.00           C  
HETATM    4  C   UNL     1       3.783   0.661  -0.240  1.00  0.00           C  
HETATM    5  C   UNL     1       2.536   0.369   0.183  1.00  0.00           C  
HETATM    6  C   UNL     1       6.185   3.553  -0.149  1.00  0.00           C  
HETATM    7  C   UNL     1       5.503   4.435   0.667  1.00  0.00           C  
HETATM    8  C   UNL     1       4.265   4.095   1.189  1.00  0.00           C  
HETATM    9  C   UNL     1       3.700   2.871   0.899  1.00  0.00           C  
HETATM   10  C   UNL     1       2.874  -2.978   1.683  1.00  0.00           C  
HETATM   11  C   UNL     1       2.019  -3.761   0.930  1.00  0.00           C  
HETATM   12  C   UNL     1       6.884   1.677  -2.478  1.00  0.00           C  
HETATM   13  C   UNL     1       3.897  -4.932   0.017  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.667  -0.976   1.000  1.00  0.00           C  
HETATM   15 CL   UNL     1       3.422   5.215   2.213  1.00  0.00          Cl  
HETATM   16 CL   UNL     1      -4.947  -3.867  -0.266  1.00  0.00          Cl  
HETATM   17  C   UNL     1      -1.403  -2.400  -0.027  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.244  -3.388  -0.174  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.498  -2.922  -0.119  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.435  -1.575   0.072  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.097  -1.252   0.135  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.577  -0.644   0.193  1.00  0.00           C  
HETATM   23  C   UNL     1       0.099  -2.521  -0.030  1.00  0.00           C  
HETATM   24  C   UNL     1       0.530  -3.549   1.017  1.00  0.00           C  
HETATM   25  N   UNL     1       0.695  -1.221   0.288  1.00  0.00           N  
HETATM   26  O   UNL     1       2.575  -1.750  -0.771  1.00  0.00           O  
HETATM   27  N   UNL     1       6.325   1.422  -1.274  1.00  0.00           N  
HETATM   28  C   UNL     1       4.240  -3.172   1.603  1.00  0.00           C  
HETATM   29  C   UNL     1       4.752  -4.150   0.770  1.00  0.00           C  
HETATM   30  C   UNL     1       2.531  -4.738   0.097  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.568   0.568  -0.499  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.635   1.434  -0.384  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.718   1.100   0.421  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.730  -0.106   1.111  1.00  0.00           C  
HETATM   35  N   UNL     1       7.423   0.562  -2.898  1.00  0.00           N  
HETATM   36  N   UNL     1       7.242  -0.379  -2.044  1.00  0.00           N  
HETATM   37  N   UNL     1       6.587   0.063  -1.025  1.00  0.00           N  
HETATM   38  N   UNL     1      -7.799   1.982   0.536  1.00  0.00           N  
HETATM   39  C   UNL     1      -8.184   2.719  -0.525  1.00  0.00           C  
HETATM   40  O   UNL     1      -7.543   2.679  -1.557  1.00  0.00           O  
HETATM   41  O   UNL     1      -9.277   3.500  -0.441  1.00  0.00           O  
HETATM   42  C   UNL     1      -9.632   4.266  -1.622  1.00  0.00           C  
HETATM   43  H   UNL     1       4.345  -0.065  -0.809  1.00  0.00           H  
HETATM   44  H   UNL     1       1.974   1.096   0.752  1.00  0.00           H  
HETATM   45  H   UNL     1       7.149   3.826  -0.552  1.00  0.00           H  
HETATM   46  H   UNL     1       5.938   5.396   0.900  1.00  0.00           H  
HETATM   47  H   UNL     1       2.735   2.610   1.307  1.00  0.00           H  
HETATM   48  H   UNL     1       2.474  -2.212   2.331  1.00  0.00           H  
HETATM   49  H   UNL     1       6.883   2.624  -2.997  1.00  0.00           H  
HETATM   50  H   UNL     1       4.297  -5.696  -0.634  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.679  -1.915   1.533  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.724  -0.367   0.268  1.00  0.00           H  
HETATM   53  H   UNL     1       0.435  -2.843  -1.016  1.00  0.00           H  
HETATM   54  H   UNL     1       0.017  -4.493   0.832  1.00  0.00           H  
HETATM   55  H   UNL     1       0.272  -3.185   2.012  1.00  0.00           H  
HETATM   56  H   UNL     1       0.190  -0.568   0.799  1.00  0.00           H  
HETATM   57  H   UNL     1       4.908  -2.560   2.191  1.00  0.00           H  
HETATM   58  H   UNL     1       5.819  -4.301   0.708  1.00  0.00           H  
HETATM   59  H   UNL     1       1.863  -5.350  -0.492  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.726   0.828  -1.123  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.628   2.372  -0.919  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.574  -0.362   1.734  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.271   2.062   1.379  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.530   4.851  -1.420  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.813   4.937  -1.880  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.821   3.586  -2.453  1.00  0.00           H  
CONECT    1   25    5   26   26                                       
CONECT    2   27    6    6    3                                       
CONECT    3    2    4    9    9                                       
CONECT    4    3    5    5   43                                       
CONECT    5    4    4    1   44                                       
CONECT    6    2    2    7   45                                       
CONECT    7    6    8    8   46                                       
CONECT    8    7    7    9   15                                       
CONECT    9    3    3    8   47                                       
CONECT   10   28   28   11   48                                       
CONECT   11   10   24   30   30                                       
CONECT   12   35   35   27   49                                       
CONECT   13   29   29   30   50                                       
CONECT   14   22   22   34   51                                       
CONECT   15    8                                                      
CONECT   16   19                                                      
CONECT   17   18   18   23   21                                       
CONECT   18   19   17   17                                            
CONECT   19   16   18   20   20                                       
CONECT   20   19   19   21   22                                       
CONECT   21   17   20   52                                            
CONECT   22   20   14   14   31                                       
CONECT   23   24   25   17   53                                       
CONECT   24   11   23   54   55                                       
CONECT   25   23    1   56                                            
CONECT   26    1    1                                                 
CONECT   27   12   37    2                                            
CONECT   28   10   10   29   57                                       
CONECT   29   28   13   13   58                                       
CONECT   30   11   11   13   59                                       
CONECT   31   22   32   32   60                                       
CONECT   32   31   31   33   61                                       
CONECT   33   34   34   32   38                                       
CONECT   34   14   33   33   62                                       
CONECT   35   12   12   36                                            
CONECT   36   35   37   37                                            
CONECT   37   36   36   27                                            
CONECT   38   33   39   63                                            
CONECT   39   40   40   38   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   42                                                 
CONECT   42   41   64   65   66                                       
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   21                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
CONECT   59   30                                                      
CONECT   60   31                                                      
CONECT   61   32                                                      
CONECT   62   34                                                      
CONECT   63   38                                                      
CONECT   64   42                                                      
CONECT   65   42                                                      
CONECT   66   42                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
