COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1 CL   UNL     1       1.265  -1.337   1.607  1.00  0.00          Cl  
HETATM    2  C   UNL     1       2.349   0.006   1.790  1.00  0.00           C  
HETATM    3  C   UNL     1       2.804   0.370   3.043  1.00  0.00           C  
HETATM    4  N   UNL     1       3.629   1.389   3.195  1.00  0.00           N  
HETATM    5  C   UNL     1       4.053   2.099   2.161  1.00  0.00           C  
HETATM    6  N   UNL     1       4.924   3.166   2.368  1.00  0.00           N  
HETATM    7  C   UNL     1       3.636   1.789   0.869  1.00  0.00           C  
HETATM    8  F   UNL     1       4.071   2.516  -0.184  1.00  0.00           F  
HETATM    9  C   UNL     1       2.774   0.722   0.678  1.00  0.00           C  
HETATM   10  C   UNL     1       2.304   0.350  -0.704  1.00  0.00           C  
HETATM   11  N   UNL     1       2.385  -1.104  -0.872  1.00  0.00           N  
HETATM   12  S   UNL     1       3.722  -1.783  -1.574  1.00  0.00           S  
HETATM   13  O   UNL     1       3.440  -3.175  -1.591  1.00  0.00           O  
HETATM   14  O   UNL     1       3.892  -1.055  -2.782  1.00  0.00           O  
HETATM   15  C   UNL     1       5.072  -1.422  -0.418  1.00  0.00           C  
HETATM   16  C   UNL     1       6.470  -1.926  -0.784  1.00  0.00           C  
HETATM   17  C   UNL     1       5.685  -2.599   0.343  1.00  0.00           C  
HETATM   18  C   UNL     1       0.877   0.798  -0.887  1.00  0.00           C  
HETATM   19  C   UNL     1       0.518   1.894  -1.525  1.00  0.00           C  
HETATM   20  S   UNL     1      -0.518  -0.076  -0.285  1.00  0.00           S  
HETATM   21  C   UNL     1      -1.632   1.121  -0.933  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.916   2.129  -1.580  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.624   3.197  -2.175  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.994   3.243  -2.119  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.708   2.244  -1.477  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.039   1.182  -0.887  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.805   0.114  -0.201  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.196   0.183  -0.153  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.160  -0.903   0.358  1.00  0.00           N  
HETATM   30  C   UNL     1      -3.804  -1.872   0.976  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.184  -1.864   1.065  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.897  -0.822   0.490  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.402  -0.783   0.569  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.947  -2.211   0.619  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.827  -0.031   1.832  1.00  0.00           C  
HETATM   36  O   UNL     1      -7.922  -0.114  -0.582  1.00  0.00           O  
HETATM   37  H   UNL     1       2.479  -0.186   3.910  1.00  0.00           H  
HETATM   38  H   UNL     1       5.217   3.385   3.266  1.00  0.00           H  
HETATM   39  H   UNL     1       5.237   3.689   1.614  1.00  0.00           H  
HETATM   40  H   UNL     1       2.936   0.837  -1.447  1.00  0.00           H  
HETATM   41  H   UNL     1       1.655  -1.668  -0.573  1.00  0.00           H  
HETATM   42  H   UNL     1       5.002  -0.467   0.104  1.00  0.00           H  
HETATM   43  H   UNL     1       6.578  -2.474  -1.719  1.00  0.00           H  
HETATM   44  H   UNL     1       7.319  -1.303  -0.504  1.00  0.00           H  
HETATM   45  H   UNL     1       6.017  -2.419   1.366  1.00  0.00           H  
HETATM   46  H   UNL     1       5.276  -3.591   0.149  1.00  0.00           H  
HETATM   47  H   UNL     1       1.235   2.567  -1.973  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.082   3.983  -2.679  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.521   4.066  -2.580  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.786   2.291  -1.439  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.720   1.009  -0.612  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.246  -2.683   1.419  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.701  -2.664   1.574  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.644  -2.747  -0.281  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.550  -2.722   1.496  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.035  -2.183   0.675  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.915  -0.002   1.889  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.430  -0.541   2.710  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.438   0.987   1.797  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.617   0.799  -0.677  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    1    9    9                                       
CONECT    3    4    4    2   37                                       
CONECT    4    3    3    5                                            
CONECT    5    4    6    7    7                                       
CONECT    6    5   38   39                                            
CONECT    7    5    5    9    8                                       
CONECT    8    7                                                      
CONECT    9    2    2    7   10                                       
CONECT   10    9   18   11   40                                       
CONECT   11   10   12   41                                            
CONECT   12   11   14   14   15                                       
CONECT   12   13   13                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15   17   12   16   42                                       
CONECT   16   17   15   43   44                                       
CONECT   17   15   16   45   46                                       
CONECT   18   20   10   19   19                                       
CONECT   19   18   18   22   47                                       
CONECT   20   21   18                                                 
CONECT   21   26   20   22   22                                       
CONECT   22   21   21   23   19                                       
CONECT   23   24   24   22   48                                       
CONECT   24   25   23   23   49                                       
CONECT   25   26   26   24   50                                       
CONECT   26   27   25   25   21                                       
CONECT   27   28   28   29   26                                       
CONECT   28   32   27   27   51                                       
CONECT   29   30   30   27                                            
CONECT   30   31   29   29   52                                       
CONECT   31   32   32   30   53                                       
CONECT   32   33   31   31   28                                       
CONECT   33   34   35   36   32                                       
CONECT   34   33   54   55   56                                       
CONECT   35   33   57   58   59                                       
CONECT   36   33   60                                                 
CONECT   37    3                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   19                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   28                                                      
CONECT   52   30                                                      
CONECT   53   31                                                      
CONECT   54   34                                                      
CONECT   55   34                                                      
CONECT   56   34                                                      
CONECT   57   35                                                      
CONECT   58   35                                                      
CONECT   59   35                                                      
CONECT   60   36                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
