COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.076  -0.299  -1.207  1.00  0.00           C  
HETATM    2  C   UNL     1       6.274  -3.023   1.065  1.00  0.00           C  
HETATM    3  C   UNL     1       4.556  -1.266   1.513  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.882   1.009  -0.082  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.657  -1.297   0.066  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.751  -0.150  -0.111  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.665  -0.525   1.424  1.00  0.00           C  
HETATM    8  C   UNL     1       1.257   4.470   0.917  1.00  0.00           C  
HETATM    9  C   UNL     1       0.487   3.225   0.557  1.00  0.00           C  
HETATM   10  C   UNL     1       1.139   2.113   0.019  1.00  0.00           C  
HETATM   11  C   UNL     1       3.132   1.064  -0.843  1.00  0.00           C  
HETATM   12  C   UNL     1       2.425   0.296  -1.759  1.00  0.00           C  
HETATM   13  C   UNL     1       3.041  -0.766  -2.395  1.00  0.00           C  
HETATM   14  C   UNL     1       4.363  -1.065  -2.123  1.00  0.00           C  
HETATM   15  C   UNL     1       6.044  -1.609   1.601  1.00  0.00           C  
HETATM   16  C   UNL     1       6.498  -1.537   3.060  1.00  0.00           C  
HETATM   17  C   UNL     1       4.460   0.766  -0.567  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.990  -0.138  -0.311  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.034  -1.300   0.163  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.254  -0.157  -0.004  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.191  -0.590   1.510  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.192  -2.933   0.901  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.353  -1.237  -0.819  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.831  -1.191  -0.975  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.091   1.007  -0.492  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.711   1.015  -0.590  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.878   3.156   0.758  1.00  0.00           C  
HETATM   28  F   UNL     1       4.963  -2.103  -2.747  1.00  0.00           F  
HETATM   29  F   UNL     1      -5.794   2.129  -0.758  1.00  0.00           F  
HETATM   30  N   UNL     1       2.507   2.138  -0.200  1.00  0.00           N  
HETATM   31  N   UNL     1       6.412  -0.605  -0.927  1.00  0.00           N  
HETATM   32  N   UNL     1       0.426   1.033  -0.285  1.00  0.00           N  
HETATM   33  N   UNL     1      -1.595  -0.133  -0.409  1.00  0.00           N  
HETATM   34  N   UNL     1      -9.694  -1.594   0.564  1.00  0.00           N  
HETATM   35  N   UNL     1      -1.525   2.047   0.432  1.00  0.00           N  
HETATM   36  O   UNL     1       6.655   0.909   0.963  1.00  0.00           O  
HETATM   37  O   UNL     1       8.356  -0.832   0.520  1.00  0.00           O  
HETATM   38  S   UNL     1       6.998  -0.425   0.612  1.00  0.00           S  
HETATM   39  H   UNL     1       7.334  -3.268   1.128  1.00  0.00           H  
HETATM   40  H   UNL     1       5.701  -3.735   1.660  1.00  0.00           H  
HETATM   41  H   UNL     1       5.950  -3.075   0.025  1.00  0.00           H  
HETATM   42  H   UNL     1       3.983  -1.977   2.108  1.00  0.00           H  
HETATM   43  H   UNL     1       4.392  -0.258   1.895  1.00  0.00           H  
HETATM   44  H   UNL     1       4.232  -1.317   0.474  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.099  -2.197   0.279  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.244  -1.496   1.685  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.293   0.231   2.116  1.00  0.00           H  
HETATM   48  H   UNL     1       1.289   5.139   0.056  1.00  0.00           H  
HETATM   49  H   UNL     1       0.766   4.973   1.750  1.00  0.00           H  
HETATM   50  H   UNL     1       2.273   4.199   1.204  1.00  0.00           H  
HETATM   51  H   UNL     1       1.392   0.527  -1.973  1.00  0.00           H  
HETATM   52  H   UNL     1       2.489  -1.361  -3.107  1.00  0.00           H  
HETATM   53  H   UNL     1       7.559  -1.782   3.123  1.00  0.00           H  
HETATM   54  H   UNL     1       6.335  -0.529   3.443  1.00  0.00           H  
HETATM   55  H   UNL     1       5.925  -2.249   3.655  1.00  0.00           H  
HETATM   56  H   UNL     1       5.011   1.362   0.145  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.553  -2.202   0.452  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.642   0.831  -0.252  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.486  -0.866   2.523  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.611   0.384   1.263  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.108  -2.953   0.792  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.459  -3.172   1.931  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.638  -3.668   0.230  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.772  -0.259  -1.056  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.765  -1.983  -1.499  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.578  -0.911  -1.998  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.412  -2.173  -0.752  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.195   1.918  -0.883  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.412   3.998   1.173  1.00  0.00           H  
HETATM   70  H   UNL     1       3.032   2.899   0.093  1.00  0.00           H  
HETATM   71  H   UNL     1       6.995  -0.924  -1.633  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.127  -0.929  -0.706  1.00  0.00           H  
CONECT    1   31   17   17   14                                       
CONECT    2   15   39   40   41                                       
CONECT    3   15   42   43   44                                       
CONECT    4   32   32   35   33                                       
CONECT    5   18   19   19   45                                       
CONECT    6   25   25   19   20                                       
CONECT    7   20   21   46   47                                       
CONECT    8    9   48   49   50                                       
CONECT    9    8   10   10   27                                       
CONECT   10   30    9    9   32                                       
CONECT   11   17   30   12   12                                       
CONECT   12   11   11   13   51                                       
CONECT   13   14   14   12   52                                       
CONECT   14    1   28   13   13                                       
CONECT   15    2   16   38    3                                       
CONECT   16   15   53   54   55                                       
CONECT   17    1    1   11   56                                       
CONECT   18   33   26   26    5                                       
CONECT   19    5    5    6   57                                       
CONECT   20    6   24    7   58                                       
CONECT   21    7   34   59   60                                       
CONECT   22   34   61   62   63                                       
CONECT   23   24   34   64   65                                       
CONECT   24   20   23   66   67                                       
CONECT   25   26   29    6    6                                       
CONECT   26   18   18   25   68                                       
CONECT   27    9   35   35   69                                       
CONECT   28   14                                                      
CONECT   29   25                                                      
CONECT   30   11   10   70                                            
CONECT   31   38    1   71                                            
CONECT   32   10    4    4                                            
CONECT   33    4   18   72                                            
CONECT   34   23   21   22                                            
CONECT   35   27   27    4                                            
CONECT   36   38   38                                                 
CONECT   37   38   38                                                 
CONECT   38   37   37   36   36                                       
CONECT   38   15   31                                                 
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    5                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   33                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
