COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.957  -9.750  -0.366  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.343  -8.558  -0.425  1.00  0.00           C  
HETATM    3  O   UNL     1      -1.137  -8.499  -0.441  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.160  -7.292  -0.470  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.224  -6.083  -0.533  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.053  -4.798  -0.578  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.131  -3.608  -0.640  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.934  -3.770  -0.647  1.00  0.00           O  
HETATM    9  O   UNL     1      -2.640  -2.367  -0.688  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.693  -1.268  -0.746  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.454   0.059  -0.794  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.188   0.247   0.460  1.00  0.00           N  
HETATM   13  C   UNL     1      -4.450  -0.212   0.576  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.947  -0.857  -0.323  1.00  0.00           O  
HETATM   15  C   UNL     1      -5.245   0.078   1.824  1.00  0.00           C  
HETATM   16 CL   UNL     1      -5.283   1.857   2.113  1.00  0.00          Cl  
HETATM   17 CL   UNL     1      -6.928  -0.535   1.620  1.00  0.00          Cl  
HETATM   18  C   UNL     1      -1.462   1.209  -0.981  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.208   2.519  -0.993  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.586   3.087  -2.195  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.270   4.288  -2.206  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.576   4.921  -1.015  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.307   6.207  -1.028  1.00  0.00           N1+
HETATM   24  O   UNL     1      -4.577   6.765   0.022  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.641   6.709  -2.086  1.00  0.00           O1-
HETATM   26  C   UNL     1      -3.198   4.352   0.186  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.518   3.148   0.198  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.521   1.207   0.095  1.00  0.00           O  
HETATM   29  P   UNL     1       1.064   1.039  -0.127  1.00  0.00           P  
HETATM   30  O   UNL     1       1.371  -0.425  -0.725  1.00  0.00           O  
HETATM   31  O   UNL     1       1.541   2.069  -1.077  1.00  0.00           O  
HETATM   32  C   UNL     1       1.926   1.236   1.467  1.00  0.00           C  
HETATM   33  C   UNL     1       3.415   1.202   1.241  1.00  0.00           C  
HETATM   34  C   UNL     1       4.102   2.375   0.988  1.00  0.00           C  
HETATM   35  C   UNL     1       5.467   2.346   0.780  1.00  0.00           C  
HETATM   36  C   UNL     1       4.093  -0.003   1.293  1.00  0.00           C  
HETATM   37  C   UNL     1       5.458  -0.038   1.086  1.00  0.00           C  
HETATM   38  C   UNL     1       6.150   1.138   0.826  1.00  0.00           C  
HETATM   39  N   UNL     1       7.533   1.106   0.616  1.00  0.00           N  
HETATM   40  C   UNL     1       8.099   0.040   0.015  1.00  0.00           C  
HETATM   41  O   UNL     1       7.401  -0.848  -0.427  1.00  0.00           O  
HETATM   42  C   UNL     1       9.598  -0.048  -0.107  1.00  0.00           C  
HETATM   43  F   UNL     1      10.071   1.044  -0.841  1.00  0.00           F  
HETATM   44  F   UNL     1      10.172  -0.036   1.169  1.00  0.00           F  
HETATM   45  F   UNL     1       9.944  -1.235  -0.762  1.00  0.00           F  
HETATM   46  H   UNL     1      -2.391 -10.534  -0.339  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.799  -7.303  -1.352  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.778  -7.227   0.426  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.585  -6.072   0.350  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.606  -6.149  -1.428  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.692  -4.809  -1.461  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.671  -4.733   0.317  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.056  -1.289   0.138  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.077  -1.366  -1.640  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.155   0.045  -1.628  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.766   0.701   1.206  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.778  -0.419   2.675  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.933   1.083  -1.926  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.347   2.593  -3.125  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.566   4.733  -3.145  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.437   4.846   1.116  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.223   2.704   1.137  1.00  0.00           H  
HETATM   63  H   UNL     1       1.084  -1.151  -0.154  1.00  0.00           H  
HETATM   64  H   UNL     1       1.648   2.191   1.914  1.00  0.00           H  
HETATM   65  H   UNL     1       1.641   0.425   2.137  1.00  0.00           H  
HETATM   66  H   UNL     1       3.570   3.314   0.952  1.00  0.00           H  
HETATM   67  H   UNL     1       6.003   3.263   0.581  1.00  0.00           H  
HETATM   68  H   UNL     1       3.555  -0.917   1.496  1.00  0.00           H  
HETATM   69  H   UNL     1       5.987  -0.979   1.127  1.00  0.00           H  
HETATM   70  H   UNL     1       8.085   1.850   0.902  1.00  0.00           H  
CONECT    1    2   46                                                 
CONECT    2    3    3    4    1                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   47   48                                       
CONECT    5    6    4   49   50                                       
CONECT    6    7    5   51   52                                       
CONECT    7    8    8    9    6                                       
CONECT    8    7    7                                                 
CONECT    9    7   10                                                 
CONECT   10    9   11   53   54                                       
CONECT   11   10   12   18   55                                       
CONECT   12   11   13   56                                            
CONECT   13   14   14   12   15                                       
CONECT   14   13   13                                                 
CONECT   15   17   13   16   57                                       
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18   11   19   28   58                                       
CONECT   19   27   18   20   20                                       
CONECT   20   19   19   21   59                                       
CONECT   21   22   22   20   60                                       
CONECT   22   26   23   21   21                                       
CONECT   23   24   24   22   25                                       
CONECT   24   23   23                                                 
CONECT   25   23                                                      
CONECT   26   27   27   22   61                                       
CONECT   27   26   26   19   62                                       
CONECT   28   18   29                                                 
CONECT   29   31   31   28   30                                       
CONECT   29   32                                                      
CONECT   30   29   63                                                 
CONECT   31   29   29                                                 
CONECT   32   29   33   64   65                                       
CONECT   33   36   32   34   34                                       
CONECT   34   33   33   35   66                                       
CONECT   35   38   38   34   67                                       
CONECT   36   37   37   33   68                                       
CONECT   37   36   36   38   69                                       
CONECT   38   37   39   35   35                                       
CONECT   39   38   40   70                                            
CONECT   40   39   42   41   41                                       
CONECT   41   40   40                                                 
CONECT   42   44   40   45   43                                       
CONECT   43   42                                                      
CONECT   44   42                                                      
CONECT   45   42                                                      
CONECT   46    1                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   15                                                      
CONECT   58   18                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   30                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   39                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
