COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.000  -0.189  -1.005  1.00  0.00           C  
HETATM    2  C   UNL     1       0.258  -1.905  -0.384  1.00  0.00           C  
HETATM    3  C   UNL     1       0.960  -2.904   0.288  1.00  0.00           C  
HETATM    4  C   UNL     1       0.285  -4.007   0.772  1.00  0.00           C  
HETATM    5  N   UNL     1       3.444   1.260   0.386  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.087  -4.131   0.595  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.792  -3.162  -0.061  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.131  -2.038  -0.559  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.566  -0.842  -1.291  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.469  -0.092  -1.506  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.451   1.231  -2.227  1.00  0.00           C  
HETATM   12  O   UNL     1      -7.511   2.831   1.687  1.00  0.00           O  
HETATM   13  O   UNL     1      -7.742   1.948  -0.336  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.848   0.438  -0.419  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.046   0.668   0.692  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.540   1.374   1.774  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.832   1.855   1.760  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.650   1.631   0.649  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.150   0.923  -0.447  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.034   2.144   0.631  1.00  0.00           C  
HETATM   21  C   UNL     1       3.801   2.115   1.524  1.00  0.00           C  
HETATM   22  C   UNL     1       5.253   2.528   1.265  1.00  0.00           C  
HETATM   23  C   UNL     1       5.629   1.863  -0.034  1.00  0.00           C  
HETATM   24  C   UNL     1       4.531   1.144  -0.486  1.00  0.00           C  
HETATM   25  C   UNL     1       4.634   0.434  -1.683  1.00  0.00           C  
HETATM   26  F   UNL     1       2.294  -2.793   0.465  1.00  0.00           F  
HETATM   27 CL   UNL     1       1.161  -5.251   1.609  1.00  0.00          Cl  
HETATM   28  S   UNL     1      -3.212  -0.462  -1.793  1.00  0.00           S  
HETATM   29  F   UNL     1      -5.933   0.701  -1.526  1.00  0.00           F  
HETATM   30  N   UNL     1       0.632  -0.713  -0.964  1.00  0.00           N  
HETATM   31  C   UNL     1       2.245   0.669   0.210  1.00  0.00           C  
HETATM   32  O   UNL     1       1.365   0.827   1.029  1.00  0.00           O  
HETATM   33  C   UNL     1       5.809   0.449  -2.403  1.00  0.00           C  
HETATM   34  C   UNL     1       6.897   1.167  -1.944  1.00  0.00           C  
HETATM   35  C   UNL     1       6.804   1.874  -0.759  1.00  0.00           C  
HETATM   36  C   UNL     1       6.253   2.685   2.404  1.00  0.00           C  
HETATM   37  C   UNL     1       5.766   3.915   1.633  1.00  0.00           C  
HETATM   38  H   UNL     1       2.707  -1.019  -1.012  1.00  0.00           H  
HETATM   39  H   UNL     1       2.133   0.410  -1.905  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.600  -5.000   0.979  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.859  -3.266  -0.195  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.605   2.038  -1.510  1.00  0.00           H  
HETATM   43  H   UNL     1       0.512   1.363  -2.720  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.246   1.250  -2.972  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.423   3.147   1.629  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.033   0.294   0.711  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.911   1.549   2.635  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.215   2.402   2.610  1.00  0.00           H  
HETATM   49  H   UNL     1       3.157   2.994   1.555  1.00  0.00           H  
HETATM   50  H   UNL     1       3.724   1.556   2.456  1.00  0.00           H  
HETATM   51  H   UNL     1       3.787  -0.129  -2.048  1.00  0.00           H  
HETATM   52  H   UNL     1       5.881  -0.104  -3.328  1.00  0.00           H  
HETATM   53  H   UNL     1       7.818   1.176  -2.509  1.00  0.00           H  
HETATM   54  H   UNL     1       7.654   2.436  -0.400  1.00  0.00           H  
HETATM   55  H   UNL     1       5.884   2.549   3.421  1.00  0.00           H  
HETATM   56  H   UNL     1       7.275   2.351   2.227  1.00  0.00           H  
HETATM   57  H   UNL     1       6.468   4.391   0.949  1.00  0.00           H  
HETATM   58  H   UNL     1       5.077   4.588   2.143  1.00  0.00           H  
CONECT    1   31   30   38   39                                       
CONECT    2   30    8    3    3                                       
CONECT    3    2    2    4   26                                       
CONECT    4    6    6    3   27                                       
CONECT    5   24   31   21                                            
CONECT    6    7    4    4   40                                       
CONECT    7    8    8    6   41                                       
CONECT    8    9    7    7    2                                       
CONECT    9   28   10   10    8                                       
CONECT   10   11    9    9   30                                       
CONECT   11   10   42   43   44                                       
CONECT   12   20   45                                                 
CONECT   13   20   20                                                 
CONECT   14   19   19   15   28                                       
CONECT   15   16   16   14   46                                       
CONECT   16   17   15   15   47                                       
CONECT   17   18   18   16   48                                       
CONECT   18   20   17   17   19                                       
CONECT   19   18   29   14   14                                       
CONECT   20   13   13   12   18                                       
CONECT   21    5   22   49   50                                       
CONECT   22   23   21   37   36                                       
CONECT   23   35   35   24   22                                       
CONECT   24   25   25   23    5                                       
CONECT   25   33   24   24   51                                       
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28   14    9                                                 
CONECT   29   19                                                      
CONECT   30   10    1    2                                            
CONECT   31   32   32    5    1                                       
CONECT   32   31   31                                                 
CONECT   33   34   34   25   52                                       
CONECT   34   33   33   35   53                                       
CONECT   35   34   23   23   54                                       
CONECT   36   22   37   55   56                                       
CONECT   37   22   36   57   58                                       
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   25                                                      
CONECT   52   33                                                      
CONECT   53   34                                                      
CONECT   54   35                                                      
CONECT   55   36                                                      
CONECT   56   36                                                      
CONECT   57   37                                                      
CONECT   58   37                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
