COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.600  -0.843  -0.805  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.826  -0.208  -0.720  1.00  0.00           C  
HETATM    3 CL   UNL     1      -5.690   0.207  -2.167  1.00  0.00          Cl  
HETATM    4  C   UNL     1      -5.363   0.095   0.519  1.00  0.00           C  
HETATM    5 CL   UNL     1      -6.902   0.891   0.627  1.00  0.00          Cl  
HETATM    6  C   UNL     1      -4.674  -0.238   1.671  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.449  -0.872   1.585  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.912  -1.174   0.348  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.576  -1.866   0.255  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.510  -0.863   0.200  1.00  0.00           N  
HETATM   11  C   UNL     1       0.809  -1.261   0.112  1.00  0.00           C  
HETATM   12  N   UNL     1       1.219  -2.504   0.071  1.00  0.00           N  
HETATM   13  C   UNL     1       2.573  -2.530  -0.016  1.00  0.00           C  
HETATM   14  C   UNL     1       3.536  -3.548  -0.090  1.00  0.00           C  
HETATM   15  N   UNL     1       3.160  -4.882  -0.083  1.00  0.00           N  
HETATM   16  N   UNL     1       4.818  -3.204  -0.167  1.00  0.00           N  
HETATM   17  C   UNL     1       5.186  -1.936  -0.175  1.00  0.00           C  
HETATM   18  N   UNL     1       4.318  -0.948  -0.107  1.00  0.00           N  
HETATM   19  C   UNL     1       3.015  -1.196  -0.028  1.00  0.00           C  
HETATM   20  N   UNL     1       1.883  -0.417   0.049  1.00  0.00           N  
HETATM   21  C1* UNL     1       1.838   1.047   0.062  1.00  0.00           C  
HETATM   22  O4* UNL     1       2.741   1.587  -0.927  1.00  0.00           O  
HETATM   23  C4* UNL     1       2.994   2.946  -0.509  1.00  0.00           C  
HETATM   24  C5* UNL     1       4.287   3.466  -1.139  1.00  0.00           C  
HETATM   25  O5* UNL     1       4.119   3.572  -2.554  1.00  0.00           O  
HETATM   26  C3* UNL     1       3.138   2.867   1.027  1.00  0.00           C  
HETATM   27  O3* UNL     1       2.552   4.014   1.645  1.00  0.00           O  
HETATM   28  C2* UNL     1       2.360   1.588   1.412  1.00  0.00           C  
HETATM   29  O2* UNL     1       1.270   1.907   2.279  1.00  0.00           O  
HETATM   30  H   UNL     1      -3.182  -1.084  -1.771  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.093  -0.001   2.638  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.910  -1.131   2.485  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.434  -2.500   1.130  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.546  -2.478  -0.646  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.730   0.082   0.225  1.00  0.00           H  
HETATM   36  H   UNL     1       2.221  -5.120  -0.026  1.00  0.00           H  
HETATM   37  H   UNL     1       3.835  -5.576  -0.134  1.00  0.00           H  
HETATM   38  H   UNL     1       6.238  -1.700  -0.239  1.00  0.00           H  
HETATM   39  H1* UNL     1       0.822   1.396  -0.121  1.00  0.00           H  
HETATM   40  H4* UNL     1       2.156   3.589  -0.780  1.00  0.00           H  
HETATM   41 H5*1 UNL     1       4.525   4.446  -0.727  1.00  0.00           H  
HETATM   42 H5*2 UNL     1       5.101   2.773  -0.921  1.00  0.00           H  
HETATM   43  H5* UNL     1       4.902   3.896  -3.020  1.00  0.00           H  
HETATM   44  H3* UNL     1       4.187   2.777   1.308  1.00  0.00           H  
HETATM   45  H3* UNL     1       2.964   4.852   1.391  1.00  0.00           H  
HETATM   46  H2* UNL     1       3.025   0.864   1.883  1.00  0.00           H  
HETATM   47  H2* UNL     1       1.541   2.252   3.141  1.00  0.00           H  
CONECT    1    2    2    8   30                                       
CONECT    2    1    1    3    4                                       
CONECT    3    2                                                      
CONECT    4    2    5    6    6                                       
CONECT    5    4                                                      
CONECT    6    4    4    7   31                                       
CONECT    7    6    8    8   32                                       
CONECT    8    1    7    7    9                                       
CONECT    9    8   10   33   34                                       
CONECT   10    9   11   35                                            
CONECT   11   10   12   12   20                                       
CONECT   12   11   11   13                                            
CONECT   13   12   14   14   19                                       
CONECT   14   13   13   15   16                                       
CONECT   15   14   36   37                                            
CONECT   16   14   17   17                                            
CONECT   17   16   16   18   38                                       
CONECT   18   17   19   19                                            
CONECT   19   13   18   18   20                                       
CONECT   20   11   19   21                                            
CONECT   21   20   22   28   39                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   26   40                                       
CONECT   24   23   25   41   42                                       
CONECT   25   24   43                                                 
CONECT   26   23   27   28   44                                       
CONECT   27   26   45                                                 
CONECT   28   21   26   29   46                                       
CONECT   29   28   47                                                 
CONECT   30    1                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   17                                                      
CONECT   39   21                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
CONECT   47   29                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
