COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.803  -0.280  -0.276  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.590   0.380  -0.093  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.546   1.772  -0.120  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.709   2.498  -0.330  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.918   1.838  -0.512  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.964   0.450  -0.485  1.00  0.00           C  
HETATM    7  N   UNL     1      -8.181  -0.211  -0.669  1.00  0.00           N  
HETATM    8  N   UNL     1      -5.666   3.894  -0.357  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.348  -0.399   0.131  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.398  -1.797   0.158  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.263  -2.525   0.364  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.041  -1.873   0.549  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.979  -0.467   0.523  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.140   0.264   0.308  1.00  0.00           C  
HETATM   15  C   UNL     1       0.329  -2.334   0.786  1.00  0.00           C  
HETATM   16  C   UNL     1       1.100  -1.239   0.885  1.00  0.00           C  
HETATM   17  N   UNL     1       0.337  -0.115   0.731  1.00  0.00           N  
HETATM   18  C   UNL     1       0.786  -3.766   0.898  1.00  0.00           C  
HETATM   19  C   UNL     1       1.052  -4.317  -0.479  1.00  0.00           C  
HETATM   20  O   UNL     1       0.887  -3.620  -1.451  1.00  0.00           O  
HETATM   21  O   UNL     1       1.472  -5.584  -0.625  1.00  0.00           O  
HETATM   22  C   UNL     1       0.842   1.260   0.778  1.00  0.00           C  
HETATM   23  C   UNL     1       2.300   1.245   1.161  1.00  0.00           C  
HETATM   24  C   UNL     1       3.368   1.259   0.174  1.00  0.00           C  
HETATM   25  C   UNL     1       4.630   1.242   0.774  1.00  0.00           C  
HETATM   26  S   UNL     1       4.454   1.210   2.524  1.00  0.00           S  
HETATM   27  C   UNL     1       2.704   1.225   2.415  1.00  0.00           C  
HETATM   28  C   UNL     1       1.779   1.208   3.605  1.00  0.00           C  
HETATM   29  C   UNL     1       5.779   1.252  -0.023  1.00  0.00           C  
HETATM   30  C   UNL     1       5.674   1.278  -1.393  1.00  0.00           C  
HETATM   31  C   UNL     1       4.424   1.295  -1.998  1.00  0.00           C  
HETATM   32  C   UNL     1       3.283   1.286  -1.235  1.00  0.00           C  
HETATM   33 CL   UNL     1       4.303   1.328  -3.729  1.00  0.00          Cl  
HETATM   34  H   UNL     1      -5.839  -1.359  -0.260  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.606   2.285   0.022  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.822   2.405  -0.674  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.214  -1.180  -0.650  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.993   0.300  -0.815  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.822   4.355  -0.229  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.479   4.402  -0.503  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.342  -2.303   0.015  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.310  -3.604   0.384  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.105   1.343   0.285  1.00  0.00           H  
HETATM   44  H   UNL     1       2.166  -1.246   1.061  1.00  0.00           H  
HETATM   45  H   UNL     1       1.700  -3.810   1.490  1.00  0.00           H  
HETATM   46  H   UNL     1       0.010  -4.358   1.383  1.00  0.00           H  
HETATM   47  H   UNL     1       1.629  -5.893  -1.527  1.00  0.00           H  
HETATM   48  H   UNL     1       0.729   1.723  -0.202  1.00  0.00           H  
HETATM   49  H   UNL     1       0.279   1.829   1.517  1.00  0.00           H  
HETATM   50  H   UNL     1       2.366   1.273   4.522  1.00  0.00           H  
HETATM   51  H   UNL     1       1.099   2.058   3.548  1.00  0.00           H  
HETATM   52  H   UNL     1       1.205   0.282   3.606  1.00  0.00           H  
HETATM   53  H   UNL     1       6.754   1.238   0.441  1.00  0.00           H  
HETATM   54  H   UNL     1       6.567   1.286  -2.001  1.00  0.00           H  
HETATM   55  H   UNL     1       2.316   1.299  -1.715  1.00  0.00           H  
CONECT    1    6    6    2   34                                       
CONECT    2    1    9    3    3                                       
CONECT    3    2    2    4   35                                       
CONECT    4    3    5    5    8                                       
CONECT    5    4    4    6   36                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6   37   38                                            
CONECT    8    4   39   40                                            
CONECT    9    2   14   14   10                                       
CONECT   10    9   11   11   41                                       
CONECT   11   10   10   12   42                                       
CONECT   12   11   13   13   15                                       
CONECT   13   12   12   17   14                                       
CONECT   14    9    9   13   43                                       
CONECT   15   12   16   16   18                                       
CONECT   16   15   15   17   44                                       
CONECT   17   13   16   22                                            
CONECT   18   15   19   45   46                                       
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   47                                                 
CONECT   22   17   23   48   49                                       
CONECT   23   22   24   27   27                                       
CONECT   24   23   25   32   32                                       
CONECT   25   24   29   29   26                                       
CONECT   26   25   27                                                 
CONECT   27   23   23   26   28                                       
CONECT   28   27   50   51   52                                       
CONECT   29   25   25   30   53                                       
CONECT   30   29   31   31   54                                       
CONECT   31   30   30   33   32                                       
CONECT   32   24   24   31   55                                       
CONECT   33   31                                                      
CONECT   34    1                                                      
CONECT   35    3                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   32                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
