COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -5.487  -3.738  -1.031  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -4.693  -2.194  -1.059  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.279  -1.651  -2.262  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.647  -0.422  -2.284  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.428   0.264  -1.104  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.837  -0.281   0.099  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.474  -1.508   0.121  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.738   1.603  -1.129  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.647   2.647  -0.532  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.297   3.266   0.445  1.00  0.00           O  
HETATM   11  O   UNL     1      -4.845   2.889  -1.086  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.501   1.530  -0.348  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.329   1.570  -0.980  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.342   1.683  -2.191  1.00  0.00           O  
HETATM   15  C   UNL     1       0.977   1.493  -0.315  1.00  0.00           C  
HETATM   16  C   UNL     1       1.979   0.730  -0.939  1.00  0.00           C  
HETATM   17  C   UNL     1       3.222   0.606  -0.365  1.00  0.00           C  
HETATM   18  I   UNL     1       4.702  -0.536  -1.310  1.00  0.00           I  
HETATM   19  C   UNL     1       3.496   1.235   0.840  1.00  0.00           C  
HETATM   20  C   UNL     1       2.526   1.988   1.463  1.00  0.00           C  
HETATM   21  C   UNL     1       1.258   2.128   0.894  1.00  0.00           C  
HETATM   22  N   UNL     1       0.339   2.905   1.578  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.951   2.623   1.732  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.641   3.367   2.396  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.580   1.408   1.108  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.843   0.170   1.552  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.306   0.105   2.824  1.00  0.00           C  
HETATM   28  C   UNL     1       0.370  -1.029   3.232  1.00  0.00           C  
HETATM   29  C   UNL     1       0.509  -2.100   2.366  1.00  0.00           C  
HETATM   30 CL   UNL     1       1.357  -3.525   2.878  1.00  0.00          Cl  
HETATM   31  C   UNL     1      -0.029  -2.034   1.093  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.709  -0.901   0.688  1.00  0.00           C  
HETATM   33  H   UNL     1      -4.451  -2.187  -3.185  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.323   0.002  -3.223  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.665   0.255   1.020  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.797  -1.931   1.061  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.503   1.872  -2.158  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.428   3.559  -0.704  1.00  0.00           H  
HETATM   39  H   UNL     1       1.770   0.239  -1.878  1.00  0.00           H  
HETATM   40  H   UNL     1       4.472   1.135   1.290  1.00  0.00           H  
HETATM   41  H   UNL     1       2.749   2.475   2.401  1.00  0.00           H  
HETATM   42  H   UNL     1       0.664   3.726   1.980  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.624   1.340   1.412  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.415   0.941   3.499  1.00  0.00           H  
HETATM   45  H   UNL     1       0.790  -1.080   4.225  1.00  0.00           H  
HETATM   46  H   UNL     1       0.080  -2.869   0.417  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.129  -0.849  -0.305  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4   33                                       
CONECT    4    3    5    5   34                                       
CONECT    5    4    4    6    8                                       
CONECT    6    5    7    7   35                                       
CONECT    7    2    6    6   36                                       
CONECT    8    5    9   12   37                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   38                                                 
CONECT   12    8   13   25                                            
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   21   21                                       
CONECT   16   15   17   17   39                                       
CONECT   17   16   16   18   19                                       
CONECT   18   17                                                      
CONECT   19   17   20   20   40                                       
CONECT   20   19   19   21   41                                       
CONECT   21   15   15   20   22                                       
CONECT   22   21   23   42                                            
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   12   23   26   43                                       
CONECT   26   25   27   32   32                                       
CONECT   27   26   28   28   44                                       
CONECT   28   27   27   29   45                                       
CONECT   29   28   30   31   31                                       
CONECT   30   29                                                      
CONECT   31   29   29   32   46                                       
CONECT   32   26   26   31   47                                       
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38   11                                                      
CONECT   39   16                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   22                                                      
CONECT   43   25                                                      
CONECT   44   27                                                      
CONECT   45   28                                                      
CONECT   46   31                                                      
CONECT   47   32                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
