COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.725  -3.904   0.972  1.00  0.00           N  
HETATM    2  C   UNL     1       6.647  -3.111  -1.074  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.930  -0.763  -0.491  1.00  0.00           N  
HETATM    4  C   UNL     1       4.735  -3.231   0.363  1.00  0.00           C  
HETATM    5  N   UNL     1      -8.228   1.496  -0.472  1.00  0.00           N  
HETATM    6  C   UNL     1       1.550  -2.813   0.662  1.00  0.00           C  
HETATM    7  C   UNL     1       0.330  -3.500   0.415  1.00  0.00           C  
HETATM    8  F   UNL     1      -3.114   4.959   1.509  1.00  0.00           F  
HETATM    9  C   UNL     1      -4.041   4.057   1.118  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.076   2.803   1.706  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.020   1.879   1.310  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.959   4.392   0.135  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.910   3.477  -0.264  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.942   2.209   0.317  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.962   1.222  -0.108  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.848   0.382  -0.785  1.00  0.00           C  
HETATM   17  S   UNL     1     -10.523   0.261  -1.319  1.00  0.00           S  
HETATM   18  C   UNL     1     -10.993   2.008  -1.275  1.00  0.00           C  
HETATM   19  N   UNL     1      -7.992  -0.665  -0.633  1.00  0.00           N  
HETATM   20  C   UNL     1      -8.292  -2.078  -0.879  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.784  -0.145  -0.201  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.554  -0.899   0.100  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.308  -0.452  -0.354  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.599  -2.083   0.854  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.428  -2.757   1.114  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.270  -2.308   0.665  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.176  -1.194  -0.047  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.779  -1.453  -0.112  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.804  -2.837   0.038  1.00  0.00           C  
HETATM   30  C   UNL     1       0.404  -0.770   0.119  1.00  0.00           C  
HETATM   31  C   UNL     1       1.563  -1.435   0.495  1.00  0.00           C  
HETATM   32  N   UNL     1       2.545  -3.600   1.051  1.00  0.00           N  
HETATM   33  C   UNL     1       2.774  -0.550   0.670  1.00  0.00           C  
HETATM   34  C   UNL     1       3.831  -1.219   1.544  1.00  0.00           C  
HETATM   35  C   UNL     1       4.843  -1.866   0.627  1.00  0.00           C  
HETATM   36  C   UNL     1       5.640  -3.855  -0.495  1.00  0.00           C  
HETATM   37  C   UNL     1       5.850  -1.128   0.053  1.00  0.00           C  
HETATM   38  C   UNL     1       6.756  -1.751  -0.802  1.00  0.00           C  
HETATM   39  N   UNL     1       7.780  -1.006  -1.390  1.00  0.00           N  
HETATM   40  C   UNL     1       8.361  -0.001  -0.705  1.00  0.00           C  
HETATM   41  O   UNL     1       7.944   0.306   0.391  1.00  0.00           O  
HETATM   42  C   UNL     1       9.530   0.741  -1.302  1.00  0.00           C  
HETATM   43  C   UNL     1       9.997   1.824  -0.327  1.00  0.00           C  
HETATM   44  C   UNL     1      11.184   2.577  -0.933  1.00  0.00           C  
HETATM   45  N   UNL     1      11.633   3.617   0.002  1.00  0.00           N  
HETATM   46  C   UNL     1      12.908   4.201  -0.433  1.00  0.00           C  
HETATM   47  C   UNL     1      10.607   4.655   0.167  1.00  0.00           C  
HETATM   48  H   UNL     1       7.352  -3.585  -1.741  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.862   0.017  -1.063  1.00  0.00           H  
HETATM   50  H   UNL     1       0.299  -4.573   0.529  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.361   2.549   2.475  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.045   0.901   1.769  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.928   5.371  -0.320  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.622   3.737  -1.034  1.00  0.00           H  
HETATM   55  H   UNL     1     -12.033   2.112  -1.586  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.878   2.390  -0.260  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.353   2.574  -1.951  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.064  -2.322  -1.916  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.687  -2.699  -0.218  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.349  -2.264  -0.686  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.228   0.456  -0.934  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.541  -2.458   1.226  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.457  -3.668   1.694  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.716  -3.385  -0.144  1.00  0.00           H  
HETATM   65  H   UNL     1       0.425   0.304   0.003  1.00  0.00           H  
HETATM   66  H   UNL     1       3.204  -0.335  -0.308  1.00  0.00           H  
HETATM   67  H   UNL     1       2.467   0.387   1.137  1.00  0.00           H  
HETATM   68  H   UNL     1       4.322  -0.473   2.168  1.00  0.00           H  
HETATM   69  H   UNL     1       3.364  -1.977   2.173  1.00  0.00           H  
HETATM   70  H   UNL     1       5.554  -4.911  -0.704  1.00  0.00           H  
HETATM   71  H   UNL     1       5.938  -0.072   0.262  1.00  0.00           H  
HETATM   72  H   UNL     1       8.074  -1.211  -2.292  1.00  0.00           H  
HETATM   73  H   UNL     1      10.346   0.043  -1.489  1.00  0.00           H  
HETATM   74  H   UNL     1       9.225   1.204  -2.241  1.00  0.00           H  
HETATM   75  H   UNL     1       9.181   2.522  -0.141  1.00  0.00           H  
HETATM   76  H   UNL     1      10.302   1.361   0.611  1.00  0.00           H  
HETATM   77  H   UNL     1      12.000   1.879  -1.120  1.00  0.00           H  
HETATM   78  H   UNL     1      10.879   3.040  -1.872  1.00  0.00           H  
HETATM   79  H   UNL     1      12.785   4.648  -1.419  1.00  0.00           H  
HETATM   80  H   UNL     1      13.218   4.968   0.277  1.00  0.00           H  
HETATM   81  H   UNL     1      13.668   3.421  -0.479  1.00  0.00           H  
HETATM   82  H   UNL     1       9.694   4.205   0.557  1.00  0.00           H  
HETATM   83  H   UNL     1      10.965   5.412   0.865  1.00  0.00           H  
HETATM   84  H   UNL     1      10.401   5.118  -0.798  1.00  0.00           H  
CONECT    1    4   32   32                                            
CONECT    2   38   38   36   48                                       
CONECT    3   28   27   49                                            
CONECT    4   36   36   35    1                                       
CONECT    5   16   16   15                                            
CONECT    6   31   31   32    7                                       
CONECT    7    6   29   29   50                                       
CONECT    8    9                                                      
CONECT    9   12   12   10    8                                       
CONECT   10   11   11    9   51                                       
CONECT   11   14   10   10   52                                       
CONECT   12   13    9    9   53                                       
CONECT   13   14   14   12   54                                       
CONECT   14   15   13   13   11                                       
CONECT   15   21   21    5   14                                       
CONECT   16   17   19    5    5                                       
CONECT   17   18   16                                                 
CONECT   18   17   55   56   57                                       
CONECT   19   20   16   21                                            
CONECT   20   19   58   59   60                                       
CONECT   21   19   22   15   15                                       
CONECT   22   23   23   21   24                                       
CONECT   23   22   22   27   61                                       
CONECT   24   22   25   25   62                                       
CONECT   25   24   24   26   63                                       
CONECT   26   27   27   25                                            
CONECT   27   23    3   26   26                                       
CONECT   28   30   30   29    3                                       
CONECT   29    7    7   28   64                                       
CONECT   30   31   28   28   65                                       
CONECT   31   33    6    6   30                                       
CONECT   32    1    1    6                                            
CONECT   33   34   31   66   67                                       
CONECT   34   35   33   68   69                                       
CONECT   35   37   37    4   34                                       
CONECT   36    2    4    4   70                                       
CONECT   37   38   35   35   71                                       
CONECT   38   39    2    2   37                                       
CONECT   39   40   38   72                                            
CONECT   40   42   39   41   41                                       
CONECT   41   40   40                                                 
CONECT   42   43   40   73   74                                       
CONECT   43   44   42   75   76                                       
CONECT   44   45   43   77   78                                       
CONECT   45   46   44   47                                            
CONECT   46   45   79   80   81                                       
CONECT   47   45   82   83   84                                       
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    7                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   39                                                      
CONECT   73   42                                                      
CONECT   74   42                                                      
CONECT   75   43                                                      
CONECT   76   43                                                      
CONECT   77   44                                                      
CONECT   78   44                                                      
CONECT   79   46                                                      
CONECT   80   46                                                      
CONECT   81   46                                                      
CONECT   82   47                                                      
CONECT   83   47                                                      
CONECT   84   47                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
