COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.368  -0.314   5.281  1.00  0.00           C  
HETATM    2  C   UNL     1       2.129  -0.808   4.579  1.00  0.00           C  
HETATM    3  CA  UNL     1       0.987  -1.663   2.604  1.00  0.00           C  
HETATM    4  C   UNL     1       1.380  -2.670   1.522  1.00  0.00           C  
HETATM    5  C   UNL     1       0.260  -0.480   1.961  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.127   0.511   3.027  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.351   0.401   3.660  1.00  0.00           C  
HETATM    8  C   UNL     1       0.742   1.527   3.375  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.707   1.311   4.638  1.00  0.00           C  
HETATM   10  C   UNL     1       0.384   2.439   4.350  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.839   2.330   4.983  1.00  0.00           C  
HETATM   12  C   UNL     1       0.733  -1.356  -0.937  1.00  0.00           C  
HETATM   13  C   UNL     1       0.964  -0.872  -2.346  1.00  0.00           C  
HETATM   14  C   UNL     1       1.811   0.195  -2.578  1.00  0.00           C  
HETATM   15  C   UNL     1       0.333  -1.501  -3.404  1.00  0.00           C  
HETATM   16  C   UNL     1       2.025   0.640  -3.868  1.00  0.00           C  
HETATM   17  C   UNL     1       0.538  -1.057  -4.695  1.00  0.00           C  
HETATM   18  C   UNL     1       1.389   0.014  -4.932  1.00  0.00           C  
HETATM   19  C   UNL     1       2.803   0.968  -6.590  1.00  0.00           C  
HETATM   20  C   UNL     1       2.997   1.568  -7.959  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.492  -2.344  -0.973  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.896  -4.203  -1.686  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.077  -4.442  -2.629  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.805  -0.134  -1.950  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.900   0.562  -1.139  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.660   1.537  -2.041  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.399   3.122  -2.182  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.685   1.170  -0.891  1.00  0.00           C  
HETATM   29  N   UNL     1       2.191  -1.183   3.286  1.00  0.00           N  
HETATM   30  N   UNL     1      -1.220   3.305   6.029  1.00  0.00           N1+
HETATM   31  N   UNL     1       1.604   0.463  -6.240  1.00  0.00           N  
HETATM   32  N   UNL     1      -2.077  -1.067  -1.086  1.00  0.00           N  
HETATM   33  N   UNL     1      -3.515  -2.789  -1.728  1.00  0.00           N  
HETATM   34  N   UNL     1      -5.711   2.206  -1.263  1.00  0.00           N  
HETATM   35  O   UNL     1       1.076  -0.867   5.178  1.00  0.00           O  
HETATM   36  O   UNL     1       0.206  -3.138   0.857  1.00  0.00           O  
HETATM   37  O   UNL     1      -0.455   4.203   6.333  1.00  0.00           O1-
HETATM   38  O   UNL     1      -2.299   3.210   6.587  1.00  0.00           O  
HETATM   39  O   UNL     1      -0.914  -0.949   1.295  1.00  0.00           O  
HETATM   40  O   UNL     1      -0.631   0.911  -0.385  1.00  0.00           O  
HETATM   41  O   UNL     1      -1.943  -3.094  -0.189  1.00  0.00           O  
HETATM   42  O   UNL     1       3.726   0.940  -5.804  1.00  0.00           O  
HETATM   43 CL   UNL     1       4.625  -1.607   5.262  1.00  0.00          Cl  
HETATM   44 CL   UNL     1       2.965   0.107   6.987  1.00  0.00          Cl  
HETATM   45  F   UNL     1       4.314   2.022  -8.086  1.00  0.00           F  
HETATM   46  F   UNL     1       2.742   0.598  -8.934  1.00  0.00           F  
HETATM   47  F   UNL     1       2.116   2.642  -8.127  1.00  0.00           F  
HETATM   48  P   UNL     1      -0.757  -0.557  -0.257  1.00  0.00           P  
HETATM   49  H   UNL     1       3.748   0.569   4.768  1.00  0.00           H  
HETATM   50  HA  UNL     1       0.328  -2.145   3.327  1.00  0.00           H  
HETATM   51  H1  UNL     1       2.039  -2.188   0.800  1.00  0.00           H  
HETATM   52  H2  UNL     1       1.898  -3.512   1.981  1.00  0.00           H  
HETATM   53  H   UNL     1       0.918   0.001   1.238  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.029  -0.394   3.391  1.00  0.00           H  
HETATM   55  H   UNL     1       1.698   1.612   2.881  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.663   1.226   5.133  1.00  0.00           H  
HETATM   57  H   UNL     1       1.062   3.236   4.619  1.00  0.00           H  
HETATM   58  H   UNL     1       1.595  -1.103  -0.320  1.00  0.00           H  
HETATM   59  H   UNL     1       0.595  -2.437  -0.943  1.00  0.00           H  
HETATM   60  H   UNL     1       2.305   0.681  -1.751  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.327  -2.335  -3.219  1.00  0.00           H  
HETATM   62  H   UNL     1       2.687   1.474  -4.049  1.00  0.00           H  
HETATM   63  H   UNL     1       0.042  -1.546  -5.520  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.183  -4.472  -0.669  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.051  -4.817  -1.999  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.360  -5.494  -2.597  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.922  -3.829  -2.316  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.790  -4.174  -3.646  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.114   0.611  -2.343  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.258  -0.681  -2.776  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.591  -0.182  -0.746  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.447   1.110  -0.313  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.969   2.282  -2.434  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.113   0.989  -2.867  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.193   3.645  -1.648  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.686   3.847  -2.574  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.829   2.553  -3.007  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.489   1.620  -0.309  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.098   0.720  -1.794  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.190   0.403  -0.296  1.00  0.00           H  
HETATM   81  H   UNL     1       3.033  -1.135   2.807  1.00  0.00           H  
HETATM   82  H   UNL     1       0.890   0.410  -6.894  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.000  -2.174  -2.300  1.00  0.00           H  
HETATM   84  H   UNL     1       0.498  -3.769   0.185  1.00  0.00           H  
CONECT    1    2   43   44   49                                       
CONECT    2    1   29   35   35                                       
CONECT    3    4    5   29   50                                       
CONECT    4    3   36   51   52                                       
CONECT    5    3    6   39   53                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6    9   54                                       
CONECT    8    6   10   10   55                                       
CONECT    9    7   11   11   56                                       
CONECT   10    8    8   11   57                                       
CONECT   11    9    9   10   30                                       
CONECT   12   13   48   58   59                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13   16   60                                       
CONECT   15   13   17   17   61                                       
CONECT   16   14   18   18   62                                       
CONECT   17   15   15   18   63                                       
CONECT   18   16   16   17   31                                       
CONECT   19   20   31   42   42                                       
CONECT   20   19   45   46   47                                       
CONECT   21   32   33   41   41                                       
CONECT   22   23   33   64   65                                       
CONECT   23   22   66   67   68                                       
CONECT   24   25   32   69   70                                       
CONECT   25   24   26   71   72                                       
CONECT   26   25   34   73   74                                       
CONECT   27   34   75   76   77                                       
CONECT   28   34   78   79   80                                       
CONECT   29    2    3   81                                            
CONECT   30   11   37   38   38                                       
CONECT   31   18   19   82                                            
CONECT   32   21   24   48                                            
CONECT   33   21   22   83                                            
CONECT   34   26   27   28                                            
CONECT   35    2    2                                                 
CONECT   36    4   84                                                 
CONECT   37   30                                                      
CONECT   38   30   30                                                 
CONECT   39    5   48                                                 
CONECT   40   48   48                                                 
CONECT   41   21   21                                                 
CONECT   42   19   19                                                 
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   12   32   39   40                                       
CONECT   48   40                                                      
CONECT   49    1                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   27                                                      
CONECT   78   28                                                      
CONECT   79   28                                                      
CONECT   80   28                                                      
CONECT   81   29                                                      
CONECT   82   31                                                      
CONECT   83   33                                                      
CONECT   84   36                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
