COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.861   0.228  -0.278  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.084   0.624   0.815  1.00  0.00           C  
HETATM    3  C   UNL     1       0.158   1.183   0.570  1.00  0.00           C  
HETATM    4  C   UNL     1       0.588   1.332  -0.736  1.00  0.00           C  
HETATM    5  C   UNL     1       1.939   1.939  -1.008  1.00  0.00           C  
HETATM    6  C   UNL     1       3.541   3.729  -0.320  1.00  0.00           C  
HETATM    7  C   UNL     1       4.098  -0.874  -0.310  1.00  0.00           C  
HETATM    8  C   UNL     1       4.840  -4.105   1.799  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.437  -1.698  -0.446  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.688  -2.256  -0.250  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.704  -1.506   0.317  1.00  0.00           C  
HETATM   12  C   UNL     1       3.948   4.932   0.534  1.00  0.00           C  
HETATM   13  C   UNL     1       4.695   3.605   0.677  1.00  0.00           C  
HETATM   14  C   UNL     1       2.971  -0.143  -0.067  1.00  0.00           C  
HETATM   15  C   UNL     1       4.800  -0.237  -1.353  1.00  0.00           C  
HETATM   16  C   UNL     1       4.511  -2.108   0.397  1.00  0.00           C  
HETATM   17  C   UNL     1       5.626  -2.828   0.154  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.200  -0.376  -0.071  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.478  -0.195   0.692  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.360   0.416  -1.564  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.230   0.377   0.502  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.882   2.562   1.444  1.00  0.00           C  
HETATM   23  C   UNL     1       2.227   3.027   0.028  1.00  0.00           C  
HETATM   24  F   UNL     1      -2.446  -2.434  -0.995  1.00  0.00           F  
HETATM   25  N   UNL     1       2.968   0.900  -0.923  1.00  0.00           N  
HETATM   26  N   UNL     1       4.120   0.819  -1.715  1.00  0.00           N  
HETATM   27  N   UNL     1      -0.168   0.948  -1.749  1.00  0.00           N1+
HETATM   28  N   UNL     1       5.763  -3.887   0.924  1.00  0.00           N  
HETATM   29  N   UNL     1      -4.001   1.706   0.882  1.00  0.00           N  
HETATM   30  N   UNL     1      -4.256   3.694   1.636  1.00  0.00           N  
HETATM   31  N   UNL     1      -3.039   3.611   1.234  1.00  0.00           N  
HETATM   32  N   UNL     1      -2.804   2.435   0.762  1.00  0.00           N  
HETATM   33  O   UNL     1       0.312   1.120  -3.070  1.00  0.00           O1-
HETATM   34  S   UNL     1       3.632  -2.899   1.704  1.00  0.00           S  
HETATM   35 CL   UNL     1      -4.984  -3.901  -0.718  1.00  0.00          Cl  
HETATM   36  H   UNL     1      -1.444   0.497   1.825  1.00  0.00           H  
HETATM   37  H   UNL     1       0.785   1.500   1.390  1.00  0.00           H  
HETATM   38  H   UNL     1       1.947   2.377  -2.006  1.00  0.00           H  
HETATM   39  H   UNL     1       3.793   3.756  -1.380  1.00  0.00           H  
HETATM   40  H   UNL     1       4.830  -4.935   2.490  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.678  -1.948   0.467  1.00  0.00           H  
HETATM   42  H   UNL     1       4.467   5.751   0.035  1.00  0.00           H  
HETATM   43  H   UNL     1       3.279   5.224   1.343  1.00  0.00           H  
HETATM   44  H   UNL     1       4.517   3.023   1.582  1.00  0.00           H  
HETATM   45  H   UNL     1       5.706   3.550   0.273  1.00  0.00           H  
HETATM   46  H   UNL     1       2.218  -0.360   0.676  1.00  0.00           H  
HETATM   47  H   UNL     1       5.738  -0.564  -1.778  1.00  0.00           H  
HETATM   48  H   UNL     1       6.343  -2.559  -0.607  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.275   0.384   1.133  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.951   0.118  -2.418  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.914   2.352   1.685  1.00  0.00           H  
HETATM   52  H   UNL     1       1.415   3.755   0.027  1.00  0.00           H  
HETATM   53  H   UNL     1       2.308   2.575   1.017  1.00  0.00           H  
CONECT    1    2   18   20   20                                       
CONECT    2    3    3    1   36                                       
CONECT    3    2    2    4   37                                       
CONECT    4    3    5   27   27                                       
CONECT    5   23    4   25   38                                       
CONECT    6   13   23   12   39                                       
CONECT    7   15   14   14   16                                       
CONECT    8   34   28   28   40                                       
CONECT    9   24   18   18   10                                       
CONECT   10    9   35   11   11                                       
CONECT   11   10   10   19   41                                       
CONECT   12   13    6   42   43                                       
CONECT   13    6   12   44   45                                       
CONECT   14   25    7    7   46                                       
CONECT   15   26   26    7   47                                       
CONECT   16    7   17   17   34                                       
CONECT   17   16   16   28   48                                       
CONECT   18    1    9    9   21                                       
CONECT   19   21   21   11   49                                       
CONECT   20    1    1   27   50                                       
CONECT   21   18   29   19   19                                       
CONECT   22   30   30   29   51                                       
CONECT   23    6    5   52   53                                       
CONECT   24    9                                                      
CONECT   25    5   26   14                                            
CONECT   26   25   15   15                                            
CONECT   27    4    4   20   33                                       
CONECT   28   17    8    8                                            
CONECT   29   22   21   32                                            
CONECT   30   22   22   31                                            
CONECT   31   30   32   32                                            
CONECT   32   29   31   31                                            
CONECT   33   27                                                      
CONECT   34   16    8                                                 
CONECT   35   10                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    8                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   17                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   23                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
