COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.571  -0.993   1.749  1.00  0.00           N  
HETATM    2  N   UNL     1       7.929  -0.708  -1.437  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.962   0.969   1.426  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.812   0.162   0.881  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.644  -0.879   2.878  1.00  0.00           C  
HETATM    6  C   UNL     1       0.745  -1.254   2.428  1.00  0.00           C  
HETATM    7  C   UNL     1       1.162  -2.574   2.509  1.00  0.00           C  
HETATM    8  C   UNL     1       3.298  -1.961   1.602  1.00  0.00           C  
HETATM    9  C   UNL     1       7.112   0.472   0.920  1.00  0.00           C  
HETATM   10  C   UNL     1       9.237   1.752   1.094  1.00  0.00           C  
HETATM   11  C   UNL     1       8.375  -1.333  -2.684  1.00  0.00           C  
HETATM   12  C   UNL     1       3.610   1.780  -0.738  1.00  0.00           C  
HETATM   13  C   UNL     1       2.160   1.362  -0.999  1.00  0.00           C  
HETATM   14  C   UNL     1       1.796   1.688  -2.450  1.00  0.00           C  
HETATM   15  C   UNL     1       3.765   3.271  -1.056  1.00  0.00           C  
HETATM   16  C   UNL     1       1.589  -0.282   1.933  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.143  -2.270   0.380  1.00  0.00           C  
HETATM   18  F   UNL     1      -1.346  -2.962  -1.017  1.00  0.00           F  
HETATM   19  C   UNL     1      -2.659  -2.681  -0.869  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.499  -2.802  -1.938  1.00  0.00           C  
HETATM   21  F   UNL     1      -3.026  -3.200  -3.139  1.00  0.00           F  
HETATM   22  C   UNL     1      -4.924  -2.495  -1.766  1.00  0.00           C  
HETATM   23  N   UNL     1      -5.765  -2.602  -2.780  1.00  0.00           N  
HETATM   24  N   UNL     1      -6.853  -2.363  -2.634  1.00  0.00           N1+
HETATM   25  N   UNL     1      -7.942  -2.125  -2.488  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.393  -2.067  -0.444  1.00  0.00           C  
HETATM   27  F   UNL     1      -6.697  -1.774  -0.243  1.00  0.00           F  
HETATM   28  C   UNL     1      -4.497  -1.969   0.581  1.00  0.00           C  
HETATM   29  F   UNL     1      -4.919  -1.576   1.802  1.00  0.00           F  
HETATM   30  C   UNL     1      -2.205  -2.158   1.513  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.005  -3.116   2.234  1.00  0.00           O  
HETATM   32  O   UNL     1      -3.525   0.614   2.440  1.00  0.00           O  
HETATM   33  N   UNL     1      -3.365   2.085   0.786  1.00  0.00           N  
HETATM   34  C   UNL     1      -4.484   2.869   1.316  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.732   4.057   0.423  1.00  0.00           C  
HETATM   36  O   UNL     1      -4.045   4.231  -0.556  1.00  0.00           O  
HETATM   37  O   UNL     1      -5.716   4.922   0.715  1.00  0.00           O  
HETATM   38  C   UNL     1      -5.898   6.043  -0.190  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.056   6.913   0.302  1.00  0.00           C  
HETATM   40  C   UNL     1       2.868  -0.625   1.518  1.00  0.00           C  
HETATM   41  C   UNL     1       2.425  -2.935   2.097  1.00  0.00           C  
HETATM   42  N   UNL     1       3.931   0.091   1.001  1.00  0.00           N  
HETATM   43  C   UNL     1       3.961   1.530   0.730  1.00  0.00           C  
HETATM   44  C   UNL     1       3.339   3.523  -2.504  1.00  0.00           C  
HETATM   45  O   UNL     1       1.991   3.083  -2.687  1.00  0.00           O  
HETATM   46  C   UNL     1       4.952  -0.797   0.789  1.00  0.00           C  
HETATM   47  N   UNL     1       4.574  -2.001   1.145  1.00  0.00           N  
HETATM   48  C   UNL     1       6.280  -0.450   0.242  1.00  0.00           C  
HETATM   49  C   UNL     1       6.717  -1.022  -0.933  1.00  0.00           C  
HETATM   50  C   UNL     1       8.735   0.166  -0.808  1.00  0.00           C  
HETATM   51  O   UNL     1       9.826   0.433  -1.284  1.00  0.00           O  
HETATM   52  C   UNL     1       8.330   0.774   0.394  1.00  0.00           C  
HETATM   53  H   UNL     1      -0.917   0.784   0.845  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.054  -0.183  -0.124  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.642   0.147   3.245  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.960  -1.550   3.677  1.00  0.00           H  
HETATM   57  H   UNL     1       0.491  -3.325   2.898  1.00  0.00           H  
HETATM   58  H   UNL     1       6.785   0.929   1.842  1.00  0.00           H  
HETATM   59  H   UNL     1      10.160   1.863   0.525  1.00  0.00           H  
HETATM   60  H   UNL     1       8.740   2.719   1.171  1.00  0.00           H  
HETATM   61  H   UNL     1       9.469   1.382   2.093  1.00  0.00           H  
HETATM   62  H   UNL     1       8.064  -0.720  -3.530  1.00  0.00           H  
HETATM   63  H   UNL     1       9.461  -1.420  -2.679  1.00  0.00           H  
HETATM   64  H   UNL     1       7.932  -2.325  -2.773  1.00  0.00           H  
HETATM   65  H   UNL     1       4.277   1.201  -1.376  1.00  0.00           H  
HETATM   66  H   UNL     1       2.054   0.290  -0.829  1.00  0.00           H  
HETATM   67  H   UNL     1       1.497   1.906  -0.326  1.00  0.00           H  
HETATM   68  H   UNL     1       2.432   1.112  -3.122  1.00  0.00           H  
HETATM   69  H   UNL     1       0.752   1.431  -2.629  1.00  0.00           H  
HETATM   70  H   UNL     1       3.134   3.853  -0.384  1.00  0.00           H  
HETATM   71  H   UNL     1       4.806   3.565  -0.926  1.00  0.00           H  
HETATM   72  H   UNL     1       1.256   0.743   1.869  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.559  -2.823  -2.219  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.915   2.369  -0.025  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.379   2.248   1.352  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.241   3.214   2.321  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.985   6.638  -0.220  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.122   5.671  -1.190  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.832   7.285   1.301  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.193   7.754  -0.377  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.970   6.318   0.332  1.00  0.00           H  
HETATM   82  H   UNL     1       2.745  -3.964   2.167  1.00  0.00           H  
HETATM   83  H   UNL     1       4.958   1.918   0.936  1.00  0.00           H  
HETATM   84  H   UNL     1       3.235   2.035   1.368  1.00  0.00           H  
HETATM   85  H   UNL     1       3.406   4.589  -2.723  1.00  0.00           H  
HETATM   86  H   UNL     1       3.995   2.972  -3.178  1.00  0.00           H  
HETATM   87  H   UNL     1       6.086  -1.726  -1.455  1.00  0.00           H  
CONECT    1    4    5   30                                            
CONECT    2   11   49   50                                            
CONECT    3   33   32   32    4                                       
CONECT    4    3    1   53   54                                       
CONECT    5    6    1   55   56                                       
CONECT    6    7    7   16    5                                       
CONECT    7   41    6    6   57                                       
CONECT    8   47   41   41   40                                       
CONECT    9   52   52   48   58                                       
CONECT   10   52   59   60   61                                       
CONECT   11    2   62   63   64                                       
CONECT   12   43   13   15   65                                       
CONECT   13   12   14   66   67                                       
CONECT   14   13   45   68   69                                       
CONECT   15   12   44   70   71                                       
CONECT   16   40   40    6   72                                       
CONECT   17   30   28   28   19                                       
CONECT   18   19                                                      
CONECT   19   17   18   20   20                                       
CONECT   20   19   19   21   22                                       
CONECT   21   20                                                      
CONECT   22   26   26   20   23                                       
CONECT   23   22   24   24                                            
CONECT   24   23   23   25   25                                       
CONECT   25   24   24   73                                            
CONECT   26   28   27   22   22                                       
CONECT   27   26                                                      
CONECT   28   29   17   17   26                                       
CONECT   29   28                                                      
CONECT   30    1   31   31   17                                       
CONECT   31   30   30                                                 
CONECT   32    3    3                                                 
CONECT   33   34    3   74                                            
CONECT   34   35   33   75   76                                       
CONECT   35   37   34   36   36                                       
CONECT   36   35   35                                                 
CONECT   37   38   35                                                 
CONECT   38   39   37   77   78                                       
CONECT   39   38   79   80   81                                       
CONECT   40    8   42   16   16                                       
CONECT   41    8    8    7   82                                       
CONECT   42   46   40   43                                            
CONECT   43   42   12   83   84                                       
CONECT   44   15   45   85   86                                       
CONECT   45   14   44                                                 
CONECT   46   47   47   48   42                                       
CONECT   47    8   46   46                                            
CONECT   48   49   49   46    9                                       
CONECT   49    2   48   48   87                                       
CONECT   50    2   51   51   52                                       
CONECT   51   50   50                                                 
CONECT   52   50   10    9    9                                       
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    7                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   11                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   13                                                      
CONECT   67   13                                                      
CONECT   68   14                                                      
CONECT   69   14                                                      
CONECT   70   15                                                      
CONECT   71   15                                                      
CONECT   72   16                                                      
CONECT   73   25                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   38                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   39                                                      
CONECT   81   39                                                      
CONECT   82   41                                                      
CONECT   83   43                                                      
CONECT   84   43                                                      
CONECT   85   44                                                      
CONECT   86   44                                                      
CONECT   87   49                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
