COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.250   1.841  -0.311  1.00  0.00           C  
HETATM    2  N   UNL     1       6.208   1.585   1.137  1.00  0.00           N  
HETATM    3  C   UNL     1       7.459   1.433   1.591  1.00  0.00           C  
HETATM    4  O   UNL     1       7.719   1.210   2.758  1.00  0.00           O  
HETATM    5  N   UNL     1       8.398   1.550   0.642  1.00  0.00           N  
HETATM    6  C   UNL     1       7.746   1.817  -0.649  1.00  0.00           C  
HETATM    7  C   UNL     1       8.105   0.694  -1.641  1.00  0.00           C  
HETATM    8  S   UNL     1       6.757  -0.529  -1.375  1.00  0.00           S  
HETATM    9  C   UNL     1       5.464   0.737  -1.045  1.00  0.00           C  
HETATM   10  C   UNL     1       4.364   0.167  -0.148  1.00  0.00           C  
HETATM   11  C   UNL     1       3.525  -0.835  -0.945  1.00  0.00           C  
HETATM   12  C   UNL     1       2.424  -1.405  -0.048  1.00  0.00           C  
HETATM   13  C   UNL     1       1.585  -2.407  -0.844  1.00  0.00           C  
HETATM   14  C   UNL     1       0.501  -2.968   0.039  1.00  0.00           C  
HETATM   15  O   UNL     1       0.408  -2.603   1.192  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.365  -3.876  -0.452  1.00  0.00           N  
HETATM   17  S   UNL     1      -1.557  -4.493   0.519  1.00  0.00           S  
HETATM   18  O   UNL     1      -2.312  -5.384  -0.290  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.924  -4.889   1.729  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.487  -3.343   0.877  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.352  -2.943  -0.188  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.238  -1.787   0.282  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.449  -0.590   0.462  1.00  0.00           O  
HETATM   24  C   UNL     1      -5.267  -1.420  -0.810  1.00  0.00           C  
HETATM   25  O   UNL     1      -6.531  -2.024  -0.530  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.372   0.119  -0.725  1.00  0.00           C  
HETATM   27  F   UNL     1      -4.976   0.705  -1.933  1.00  0.00           F  
HETATM   28  C   UNL     1      -4.394   0.500   0.408  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.707   1.755   0.089  1.00  0.00           N  
HETATM   30  C   UNL     1      -2.516   1.879  -0.562  1.00  0.00           C  
HETATM   31  N   UNL     1      -2.201   3.137  -0.676  1.00  0.00           N  
HETATM   32  C   UNL     1      -3.168   3.897  -0.108  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.149   3.020   0.384  1.00  0.00           C  
HETATM   34  N   UNL     1      -5.220   3.522   0.990  1.00  0.00           N  
HETATM   35  C   UNL     1      -5.364   4.824   1.126  1.00  0.00           C  
HETATM   36  N   UNL     1      -4.472   5.687   0.677  1.00  0.00           N  
HETATM   37  C   UNL     1      -3.365   5.277   0.065  1.00  0.00           C  
HETATM   38  N   UNL     1      -2.436   6.190  -0.403  1.00  0.00           N  
HETATM   39  H   UNL     1       5.827   2.820  -0.539  1.00  0.00           H  
HETATM   40  H   UNL     1       5.403   1.534   1.676  1.00  0.00           H  
HETATM   41  H   UNL     1       9.355   1.471   0.784  1.00  0.00           H  
HETATM   42  H   UNL     1       8.061   2.786  -1.038  1.00  0.00           H  
HETATM   43  H   UNL     1       8.093   1.065  -2.666  1.00  0.00           H  
HETATM   44  H   UNL     1       9.076   0.262  -1.401  1.00  0.00           H  
HETATM   45  H   UNL     1       5.047   1.115  -1.978  1.00  0.00           H  
HETATM   46  H   UNL     1       4.815  -0.336   0.706  1.00  0.00           H  
HETATM   47  H   UNL     1       3.725   0.978   0.203  1.00  0.00           H  
HETATM   48  H   UNL     1       3.073  -0.332  -1.799  1.00  0.00           H  
HETATM   49  H   UNL     1       4.163  -1.645  -1.296  1.00  0.00           H  
HETATM   50  H   UNL     1       2.876  -1.908   0.807  1.00  0.00           H  
HETATM   51  H   UNL     1       1.786  -0.594   0.303  1.00  0.00           H  
HETATM   52  H   UNL     1       1.133  -1.904  -1.699  1.00  0.00           H  
HETATM   53  H   UNL     1       2.224  -3.217  -1.195  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.291  -4.168  -1.374  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.754  -2.620  -1.040  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.980  -3.784  -0.482  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.746  -2.051   1.209  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.906  -1.724  -1.793  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.215  -1.827  -1.185  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.388   0.419  -0.470  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.926   0.588   1.355  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.921   1.056  -0.927  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.247   5.199   1.623  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.637   5.879  -0.858  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.583   7.140  -0.277  1.00  0.00           H  
CONECT    1    2    9    6   39                                       
CONECT    2    1    3   40                                            
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   41                                            
CONECT    6    1    5    7   42                                       
CONECT    7    6    8   43   44                                       
CONECT    8    9    7                                                 
CONECT    9   10    1    8   45                                       
CONECT   10   11    9   46   47                                       
CONECT   11   12   10   48   49                                       
CONECT   12   13   11   50   51                                       
CONECT   13   14   12   52   53                                       
CONECT   14   16   15   15   13                                       
CONECT   15   14   14                                                 
CONECT   16   17   14   54                                            
CONECT   17   19   19   18   18                                       
CONECT   17   20   16                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22   55   56                                       
CONECT   22   21   24   23   57                                       
CONECT   23   22   28                                                 
CONECT   24   25   22   26   58                                       
CONECT   25   24   59                                                 
CONECT   26   24   28   27   60                                       
CONECT   27   26                                                      
CONECT   28   23   26   29   61                                       
CONECT   29   28   33   30                                            
CONECT   30   29   31   31   62                                       
CONECT   31   30   30   32                                            
CONECT   32   33   31   37   37                                       
CONECT   33   29   34   34   32                                       
CONECT   34   33   33   35                                            
CONECT   35   34   36   36   63                                       
CONECT   36   35   35   37                                            
CONECT   37   32   32   36   38                                       
CONECT   38   37   64   65                                            
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   16                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   28                                                      
CONECT   62   30                                                      
CONECT   63   35                                                      
CONECT   64   38                                                      
CONECT   65   38                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
