COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -2.644  -1.780  -2.446  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -3.593  -1.888  -0.996  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.969  -1.778  -1.060  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.726  -1.865   0.098  1.00  0.00           C  
HETATM    5  O   UNL     1      -7.080  -1.757   0.035  1.00  0.00           O  
HETATM    6  C   UNL     1      -7.797  -1.855   1.268  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.103  -2.062   1.322  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.727  -2.172   1.387  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.970  -2.091   0.228  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.616  -2.204   0.291  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.883  -1.065   0.336  1.00  0.00           C  
HETATM   12  C   UNL     1       0.504  -1.117   0.277  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.483   0.119   0.431  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.775   1.237   0.475  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.436   2.449   0.575  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.255   3.248  -0.644  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.869   2.248   0.844  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.485   3.589   1.248  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.124   4.619   0.278  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.104   4.486  -0.576  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.853   5.405  -1.328  1.00  0.00           O  
HETATM   22  N   UNL     1       0.549   1.225   0.428  1.00  0.00           N  
HETATM   23  C   UNL     1       1.216   0.079   0.320  1.00  0.00           C  
HETATM   24  N   UNL     1       2.601   0.075   0.270  1.00  0.00           N  
HETATM   25  C   UNL     1       3.325  -1.193   0.152  1.00  0.00           C  
HETATM   26  C   UNL     1       4.808  -0.923   0.119  1.00  0.00           C  
HETATM   27  N   UNL     1       5.631  -0.960   1.201  1.00  0.00           N  
HETATM   28  C   UNL     1       6.904  -0.659   0.760  1.00  0.00           C  
HETATM   29  C   UNL     1       8.139  -0.539   1.381  1.00  0.00           C  
HETATM   30  C   UNL     1       9.250  -0.210   0.633  1.00  0.00           C  
HETATM   31  C   UNL     1       9.141   0.002  -0.734  1.00  0.00           C  
HETATM   32  C   UNL     1       7.933  -0.111  -1.362  1.00  0.00           C  
HETATM   33  C   UNL     1       6.793  -0.444  -0.625  1.00  0.00           C  
HETATM   34  N   UNL     1       5.488  -0.627  -0.950  1.00  0.00           N  
HETATM   35  H   UNL     1      -5.455  -1.624  -2.013  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.471  -1.064   1.942  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.865  -1.753   1.076  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.602  -2.825   1.725  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.693  -2.130   2.224  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.242  -2.326   2.339  1.00  0.00           H  
HETATM   41  H   UNL     1       1.018  -2.064   0.199  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.207   3.532  -0.739  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.550   2.657  -1.511  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.360   1.876  -0.055  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.992   1.530   1.654  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.570   3.492   1.285  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.116   3.874   2.233  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.647   5.435   0.253  1.00  0.00           H  
HETATM   49  H   UNL     1       3.090   0.911   0.314  1.00  0.00           H  
HETATM   50  H   UNL     1       3.090  -1.827   1.007  1.00  0.00           H  
HETATM   51  H   UNL     1       3.027  -1.697  -0.767  1.00  0.00           H  
HETATM   52  H   UNL     1       5.371  -1.160   2.114  1.00  0.00           H  
HETATM   53  H   UNL     1       8.230  -0.702   2.444  1.00  0.00           H  
HETATM   54  H   UNL     1      10.212  -0.116   1.115  1.00  0.00           H  
HETATM   55  H   UNL     1      10.019   0.259  -1.307  1.00  0.00           H  
HETATM   56  H   UNL     1       7.859   0.056  -2.426  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    1    9    9                                       
CONECT    3    4    4    2   35                                       
CONECT    4    5    3    3    7                                       
CONECT    5    4    6                                                 
CONECT    6    5   36   37   38                                       
CONECT    7    4    8    8   39                                       
CONECT    8    7    7    9   40                                       
CONECT    9    2    2    8   10                                       
CONECT   10   11    9                                                 
CONECT   11   12   12   13   10                                       
CONECT   12   23   11   11   41                                       
CONECT   13   14   14   11                                            
CONECT   14   22   15   13   13                                       
CONECT   15   17   14   16                                            
CONECT   16   15   20   42   43                                       
CONECT   17   18   15   44   45                                       
CONECT   18   17   19   46   47                                       
CONECT   19   18   20   48                                            
CONECT   20   19   16   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   23   23   14                                            
CONECT   23   24   22   22   12                                       
CONECT   24   25   23   49                                            
CONECT   25   26   24   50   51                                       
CONECT   26   27   34   34   25                                       
CONECT   27   28   26   52                                            
CONECT   28   29   33   33   27                                       
CONECT   29   30   30   28   53                                       
CONECT   30   31   29   29   54                                       
CONECT   31   30   32   32   55                                       
CONECT   32   31   31   33   56                                       
CONECT   33   32   28   28   34                                       
CONECT   34   33   26   26                                            
CONECT   35    3                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41   12                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   27                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
