COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.120   1.477  -1.849  1.00  0.00           C  
HETATM    2  C   UNL     1       0.463  -0.049  -1.007  1.00  0.00           C  
HETATM    3  C   UNL     1       0.631   0.365  -3.364  1.00  0.00           C  
HETATM    4  C   UNL     1       2.902   2.022   0.671  1.00  0.00           C  
HETATM    5  C   UNL     1       4.194   1.653   1.017  1.00  0.00           C  
HETATM    6  C   UNL     1       5.161   2.622   1.203  1.00  0.00           C  
HETATM    7  C   UNL     1       4.842   3.959   1.045  1.00  0.00           C  
HETATM    8  C   UNL     1       3.554   4.328   0.700  1.00  0.00           C  
HETATM    9  C   UNL     1       1.679   1.239  -3.138  1.00  0.00           C  
HETATM   10  C   UNL     1       1.516   0.837  -0.780  1.00  0.00           C  
HETATM   11  C   UNL     1       0.026  -0.284  -2.302  1.00  0.00           C  
HETATM   12 CL   UNL     1       0.083   0.070  -4.984  1.00  0.00          Cl  
HETATM   13  O   UNL     1       1.949   1.070   0.487  1.00  0.00           O  
HETATM   14  C   UNL     1       2.583   3.363   0.518  1.00  0.00           C  
HETATM   15 CL   UNL     1       6.061   5.174   1.273  1.00  0.00          Cl  
HETATM   16  N   UNL     1      -0.146  -0.703   0.069  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.577  -0.378   0.140  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.145  -0.895   1.437  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.450  -0.710   1.722  1.00  0.00           N  
HETATM   20  N   UNL     1      -4.257  -0.055   0.836  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.002  -1.212   2.983  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.429  -1.476   2.224  1.00  0.00           O  
HETATM   23  C   UNL     1      -5.355  -0.932   0.370  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.537  -0.018   0.140  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.300   1.173   0.805  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.956   1.074   1.489  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.709  -0.190  -0.572  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.644   0.827  -0.622  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.407   2.016   0.042  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.236   2.189   0.755  1.00  0.00           C  
HETATM   31  C   UNL     1       0.060  -2.155  -0.013  1.00  0.00           C  
HETATM   32  C   UNL     1       1.508  -2.473   0.259  1.00  0.00           C  
HETATM   33  N   UNL     1       1.933  -3.752   0.237  1.00  0.00           N  
HETATM   34  C   UNL     1       3.341  -4.060   0.501  1.00  0.00           C  
HETATM   35  C   UNL     1       3.556  -5.573   0.416  1.00  0.00           C  
HETATM   36  N   UNL     1       4.967  -5.882   0.681  1.00  0.00           N  
HETATM   37  C   UNL     1       5.212  -7.329   0.607  1.00  0.00           C  
HETATM   38  O   UNL     1       2.291  -1.578   0.497  1.00  0.00           O  
HETATM   39  H   UNL     1       2.938   2.161  -1.676  1.00  0.00           H  
HETATM   40  H   UNL     1       4.443   0.610   1.142  1.00  0.00           H  
HETATM   41  H   UNL     1       6.167   2.335   1.473  1.00  0.00           H  
HETATM   42  H   UNL     1       3.307   5.372   0.576  1.00  0.00           H  
HETATM   43  H   UNL     1       2.154   1.737  -3.971  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.789  -0.969  -2.481  1.00  0.00           H  
HETATM   45  H   UNL     1       1.578   3.652   0.248  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.707   0.703   0.092  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.098  -0.845  -0.696  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.840  -0.476   3.770  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.071  -1.389   2.866  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.507  -2.145   3.250  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.074  -1.426  -0.560  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.595  -1.673   1.133  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.089   0.871   2.552  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.393   1.997   1.349  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.894  -1.119  -1.091  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.559   0.692  -1.179  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.138   2.811   0.004  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.051   3.118   1.274  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.566  -2.654   0.727  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.208  -2.505  -1.010  1.00  0.00           H  
HETATM   61  H   UNL     1       1.307  -4.468   0.047  1.00  0.00           H  
HETATM   62  H   UNL     1       3.967  -3.562  -0.239  1.00  0.00           H  
HETATM   63  H   UNL     1       3.608  -3.711   1.498  1.00  0.00           H  
HETATM   64  H   UNL     1       2.930  -6.071   1.156  1.00  0.00           H  
HETATM   65  H   UNL     1       3.288  -5.922  -0.581  1.00  0.00           H  
HETATM   66  H   UNL     1       5.258  -5.511   1.573  1.00  0.00           H  
HETATM   67  H   UNL     1       6.264  -7.530   0.807  1.00  0.00           H  
HETATM   68  H   UNL     1       4.597  -7.839   1.349  1.00  0.00           H  
HETATM   69  H   UNL     1       4.955  -7.691  -0.388  1.00  0.00           H  
CONECT    1   10   10    9   39                                       
CONECT    2   10   16   11   11                                       
CONECT    3    9    9   11   12                                       
CONECT    4   14   14    5   13                                       
CONECT    5    6    6    4   40                                       
CONECT    6    7    5    5   41                                       
CONECT    7   15    8    8    6                                       
CONECT    8    7    7   14   42                                       
CONECT    9    1    3    3   43                                       
CONECT   10   13    1    1    2                                       
CONECT   11    2    2    3   44                                       
CONECT   12    3                                                      
CONECT   13    4   10                                                 
CONECT   14    8    4    4   45                                       
CONECT   15    7                                                      
CONECT   16   17    2   31                                            
CONECT   17   18   16   46   47                                       
CONECT   18   22   22   19   17                                       
CONECT   19   21   18   20                                            
CONECT   20   19   26   23                                            
CONECT   21   19   48   49   50                                       
CONECT   22   18   18                                                 
CONECT   23   20   24   51   52                                       
CONECT   24   23   25   25   27                                       
CONECT   25   26   24   24   30                                       
CONECT   26   20   25   53   54                                       
CONECT   27   24   28   28   55                                       
CONECT   28   27   27   29   56                                       
CONECT   29   30   30   28   57                                       
CONECT   30   25   29   29   58                                       
CONECT   31   32   16   59   60                                       
CONECT   32   33   38   38   31                                       
CONECT   33   34   32   61                                            
CONECT   34   35   33   62   63                                       
CONECT   35   36   34   64   65                                       
CONECT   36   37   35   66                                            
CONECT   37   36   67   68   69                                       
CONECT   38   32   32                                                 
CONECT   39    1                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   14                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   26                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
CONECT   61   33                                                      
CONECT   62   34                                                      
CONECT   63   34                                                      
CONECT   64   35                                                      
CONECT   65   35                                                      
CONECT   66   36                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
