COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.172  -3.510  -0.698  1.00  0.00           N  
HETATM    2  C   UNL     1       5.065  -3.669   0.578  1.00  0.00           C  
HETATM    3  C   UNL     1       4.305  -1.489  -0.278  1.00  0.00           C  
HETATM    4  C   UNL     1       3.795  -0.125  -0.547  1.00  0.00           C  
HETATM    5  C   UNL     1       4.410   0.850  -1.358  1.00  0.00           C  
HETATM    6  C   UNL     1       1.733   3.350   1.043  1.00  0.00           C  
HETATM    7  C   UNL     1       3.369   5.122   2.058  1.00  0.00           C  
HETATM    8  C   UNL     1       0.154   1.862  -0.156  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.209   0.516   0.018  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.774   1.102  -1.169  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.499  -0.213   0.069  1.00  0.00           C  
HETATM   12  C   UNL     1       4.844  -2.036  -2.667  1.00  0.00           C  
HETATM   13  C   UNL     1       2.639   0.415  -0.060  1.00  0.00           C  
HETATM   14  C   UNL     1       1.454   2.615  -0.269  1.00  0.00           C  
HETATM   15  C   UNL     1       2.987   4.213   0.888  1.00  0.00           C  
HETATM   16  C   UNL     1       4.195   3.868   1.762  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.206   1.303   1.056  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.405   0.617   1.157  1.00  0.00           C  
HETATM   19  C   UNL     1       4.776  -2.358  -1.196  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.698   0.468  -0.137  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.899  -0.219  -0.088  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.913  -1.580   0.165  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.729  -2.263   0.370  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.519  -1.590   0.319  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.167  -3.603   0.771  1.00  0.00           C  
HETATM   26  F   UNL     1      -4.688   1.796  -0.383  1.00  0.00           F  
HETATM   27  N   UNL     1       2.542   1.672  -0.541  1.00  0.00           N  
HETATM   28  N   UNL     1      -0.627   1.750  -1.215  1.00  0.00           N1+
HETATM   29  N   UNL     1      -2.319  -2.284   0.521  1.00  0.00           N  
HETATM   30  N   UNL     1      -0.885  -3.830   0.893  1.00  0.00           N  
HETATM   31  N   UNL     1      -0.216  -2.744   0.738  1.00  0.00           N  
HETATM   32  N   UNL     1      -1.015  -1.758   0.508  1.00  0.00           N  
HETATM   33  N   UNL     1       3.659   1.919  -1.348  1.00  0.00           N  
HETATM   34  O   UNL     1      -0.221   2.344  -2.435  1.00  0.00           O1-
HETATM   35  S   UNL     1       4.406  -2.267   1.300  1.00  0.00           S  
HETATM   36 CL   UNL     1      -7.392   0.629  -0.345  1.00  0.00          Cl  
HETATM   37  H   UNL     1       5.351  -4.562   1.114  1.00  0.00           H  
HETATM   38  H   UNL     1       5.340   0.733  -1.894  1.00  0.00           H  
HETATM   39  H   UNL     1       0.883   3.986   1.291  1.00  0.00           H  
HETATM   40  H   UNL     1       1.889   2.624   1.841  1.00  0.00           H  
HETATM   41  H   UNL     1       3.816   6.087   1.820  1.00  0.00           H  
HETATM   42  H   UNL     1       2.726   5.105   2.938  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.381   1.024  -2.058  1.00  0.00           H  
HETATM   44  H   UNL     1       5.766  -1.495  -2.879  1.00  0.00           H  
HETATM   45  H   UNL     1       4.825  -2.962  -3.242  1.00  0.00           H  
HETATM   46  H   UNL     1       3.989  -1.419  -2.944  1.00  0.00           H  
HETATM   47  H   UNL     1       1.931  -0.075   0.592  1.00  0.00           H  
HETATM   48  H   UNL     1       1.387   3.336  -1.083  1.00  0.00           H  
HETATM   49  H   UNL     1       3.182   4.581  -0.120  1.00  0.00           H  
HETATM   50  H   UNL     1       5.186   4.009   1.330  1.00  0.00           H  
HETATM   51  H   UNL     1       4.096   3.027   2.448  1.00  0.00           H  
HETATM   52  H   UNL     1       0.440   1.400   1.916  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.710   0.171   2.092  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.853  -2.110   0.202  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.747  -3.325   0.567  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.957  -4.334   0.859  1.00  0.00           H  
CONECT    1   19    2    2                                            
CONECT    2   35    1    1   37                                       
CONECT    3    4   19   19   35                                       
CONECT    4    5   13   13    3                                       
CONECT    5   33   33    4   38                                       
CONECT    6   15   14   39   40                                       
CONECT    7   16   15   41   42                                       
CONECT    8   17   14   28   28                                       
CONECT    9   18   11   10   10                                       
CONECT   10    9    9   28   43                                       
CONECT   11    9   20   20   24                                       
CONECT   12   19   44   45   46                                       
CONECT   13   27    4    4   47                                       
CONECT   14    6    8   27   48                                       
CONECT   15   16    6    7   49                                       
CONECT   16   15    7   50   51                                       
CONECT   17   18   18    8   52                                       
CONECT   18   17   17    9   53                                       
CONECT   19    3    3   12    1                                       
CONECT   20   26   11   11   21                                       
CONECT   21   20   36   22   22                                       
CONECT   22   21   21   23   54                                       
CONECT   23   24   24   22   55                                       
CONECT   24   11   29   23   23                                       
CONECT   25   30   30   29   56                                       
CONECT   26   20                                                      
CONECT   27   14   33   13                                            
CONECT   28    8    8   10   34                                       
CONECT   29   25   24   32                                            
CONECT   30   25   25   31                                            
CONECT   31   30   32   32                                            
CONECT   32   29   31   31                                            
CONECT   33   27    5    5                                            
CONECT   34   28                                                      
CONECT   35    3    2                                                 
CONECT   36   21                                                      
CONECT   37    2                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43   10                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   25                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
