COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.913  -1.878  -0.767  1.00  0.00           C  
HETATM    2  C   UNL     1       8.662  -2.578   0.387  1.00  0.00           C  
HETATM    3  N   UNL     1       7.774  -2.410   1.566  1.00  0.00           N  
HETATM    4  C   UNL     1       6.405  -2.601   1.022  1.00  0.00           C  
HETATM    5  C   UNL     1       6.428  -1.893  -0.349  1.00  0.00           C  
HETATM    6  N   UNL     1       5.921  -0.524  -0.224  1.00  0.00           N  
HETATM    7  C   UNL     1       4.604  -0.278  -0.369  1.00  0.00           C  
HETATM    8  O   UNL     1       3.837  -1.191  -0.604  1.00  0.00           O  
HETATM    9  C   UNL     1       4.092   1.103  -0.242  1.00  0.00           C  
HETATM   10  C   UNL     1       2.729   1.361  -0.392  1.00  0.00           C  
HETATM   11  C   UNL     1       4.969   2.153   0.034  1.00  0.00           C  
HETATM   12  C   UNL     1       4.489   3.441   0.152  1.00  0.00           C  
HETATM   13  C   UNL     1       3.139   3.698  -0.001  1.00  0.00           C  
HETATM   14  C   UNL     1       2.256   2.658  -0.271  1.00  0.00           C  
HETATM   15  N   UNL     1       0.892   2.923  -0.426  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.036   1.939  -0.156  1.00  0.00           C  
HETATM   17  S   UNL     1      -1.713   2.072  -0.457  1.00  0.00           S  
HETATM   18  N   UNL     1       0.244   0.776   0.360  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.753  -0.049   0.554  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.968   0.445   0.169  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.251  -0.250   0.263  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.299  -1.379   0.717  1.00  0.00           O  
HETATM   23  N   UNL     1      -4.380   0.358  -0.152  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.620  -0.259   0.045  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.821  -1.569  -0.376  1.00  0.00           C  
HETATM   26 CL   UNL     1      -4.533  -2.441  -1.146  1.00  0.00          Cl  
HETATM   27  C   UNL     1      -7.047  -2.175  -0.179  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.073  -1.480   0.435  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.876  -0.177   0.854  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.651   0.433   0.665  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.436   1.851   1.128  1.00  0.00           C  
HETATM   32  H   UNL     1       8.265  -0.852  -0.879  1.00  0.00           H  
HETATM   33  H   UNL     1       8.050  -2.427  -1.698  1.00  0.00           H  
HETATM   34  H   UNL     1       8.801  -3.636   0.164  1.00  0.00           H  
HETATM   35  H   UNL     1       9.625  -2.098   0.562  1.00  0.00           H  
HETATM   36  H   UNL     1       7.878  -1.490   1.969  1.00  0.00           H  
HETATM   37  H   UNL     1       6.190  -3.663   0.898  1.00  0.00           H  
HETATM   38  H   UNL     1       5.667  -2.138   1.677  1.00  0.00           H  
HETATM   39  H   UNL     1       5.837  -2.452  -1.074  1.00  0.00           H  
HETATM   40  H   UNL     1       6.533   0.205  -0.036  1.00  0.00           H  
HETATM   41  H   UNL     1       2.045   0.552  -0.602  1.00  0.00           H  
HETATM   42  H   UNL     1       6.025   1.957   0.154  1.00  0.00           H  
HETATM   43  H   UNL     1       5.170   4.252   0.366  1.00  0.00           H  
HETATM   44  H   UNL     1       2.769   4.708   0.094  1.00  0.00           H  
HETATM   45  H   UNL     1       0.598   3.798  -0.723  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.626  -1.036   0.975  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.332   1.224  -0.587  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.204  -3.192  -0.506  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.030  -1.956   0.587  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.679   0.363   1.333  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.701   2.540   0.326  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.062   2.048   1.998  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.388   1.991   1.396  1.00  0.00           H  
CONECT    1    2    5   32   33                                       
CONECT    2    3    1   34   35                                       
CONECT    3    4    2   36                                            
CONECT    4    3    5   37   38                                       
CONECT    5    4    1    6   39                                       
CONECT    6    5    7   40                                            
CONECT    7    6    9    8    8                                       
CONECT    8    7    7                                                 
CONECT    9   11   11   10    7                                       
CONECT   10   14   14    9   41                                       
CONECT   11   12    9    9   42                                       
CONECT   12   13   13   11   43                                       
CONECT   13   12   12   14   44                                       
CONECT   14   13   15   10   10                                       
CONECT   15   16   14   45                                            
CONECT   16   17   18   18   15                                       
CONECT   17   20   16                                                 
CONECT   18   19   16   16                                            
CONECT   19   20   20   18   46                                       
CONECT   20   21   17   19   19                                       
CONECT   21   22   22   23   20                                       
CONECT   22   21   21                                                 
CONECT   23   24   21   47                                            
CONECT   24   25   23   30   30                                       
CONECT   25   26   27   27   24                                       
CONECT   26   25                                                      
CONECT   27   25   25   28   48                                       
CONECT   28   27   29   29   49                                       
CONECT   29   28   28   30   50                                       
CONECT   30   24   24   29   31                                       
CONECT   31   30   51   52   53                                       
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   15                                                      
CONECT   46   19                                                      
CONECT   47   23                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   31                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
