COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.803  -1.078   0.953  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.711  -0.920   0.147  1.00  0.00           C  
HETATM    3  C   UNL     1       0.000  -2.063  -0.278  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.408  -3.302   0.118  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.193  -2.379   1.342  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.495  -3.450   0.919  1.00  0.00           N  
HETATM    7  N   UNL     1      -2.524   0.038   1.395  1.00  0.00           N  
HETATM    8  C   UNL     1       1.189  -1.916  -1.155  1.00  0.00           C  
HETATM    9  C   UNL     1       1.100  -2.227  -2.510  1.00  0.00           C  
HETATM   10  C   UNL     1       2.207  -2.090  -3.325  1.00  0.00           C  
HETATM   11  C   UNL     1       3.405  -1.644  -2.799  1.00  0.00           C  
HETATM   12  C   UNL     1       3.503  -1.332  -1.449  1.00  0.00           C  
HETATM   13  C   UNL     1       2.394  -1.461  -0.626  1.00  0.00           C  
HETATM   14  N   UNL     1       4.719  -0.882  -0.920  1.00  0.00           N  
HETATM   15  C   UNL     1       5.609  -1.800  -0.437  1.00  0.00           C  
HETATM   16  C   UNL     1       6.795  -1.446   0.084  1.00  0.00           C  
HETATM   17  C   UNL     1       4.973   0.442  -0.910  1.00  0.00           C  
HETATM   18  C   UNL     1       6.243   0.923  -0.359  1.00  0.00           C  
HETATM   19  C   UNL     1       7.160  -0.029   0.145  1.00  0.00           C  
HETATM   20  C   UNL     1       8.377   0.397   0.676  1.00  0.00           C  
HETATM   21  C   UNL     1       8.672   1.742   0.709  1.00  0.00           C  
HETATM   22  C   UNL     1       7.771   2.679   0.220  1.00  0.00           C  
HETATM   23  C   UNL     1       6.565   2.282  -0.320  1.00  0.00           C  
HETATM   24  O   UNL     1       4.157   1.229  -1.354  1.00  0.00           O  
HETATM   25  C   UNL     1       2.495  -1.117   0.838  1.00  0.00           C  
HETATM   26  O   UNL     1       2.885  -2.278   1.574  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.912  -4.793   1.330  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.167  -2.533   2.062  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.872   0.169   1.071  1.00  0.00           C  
HETATM   30  C   UNL     1       9.987   2.203   1.283  1.00  0.00           C  
HETATM   31  F   UNL     1       5.697   3.201  -0.798  1.00  0.00           F  
HETATM   32  C   UNL     1      10.927   2.981   0.360  1.00  0.00           C  
HETATM   33  C   UNL     1      10.183   3.707   1.482  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.463  -0.743   0.203  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.804  -0.607  -0.108  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.515   0.445   0.466  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.860   1.316   1.324  1.00  0.00           C  
HETATM   38  N   UNL     1      -4.579   1.157   1.598  1.00  0.00           N  
HETATM   39  N   UNL     1      -7.874   0.621   0.180  1.00  0.00           N  
HETATM   40  C   UNL     1      -8.096   0.742  -1.268  1.00  0.00           C  
HETATM   41  C   UNL     1      -9.598   0.852  -1.544  1.00  0.00           C  
HETATM   42  N   UNL     1     -10.139   2.018  -0.832  1.00  0.00           N  
HETATM   43  C   UNL     1      -9.917   1.898   0.616  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.416   1.787   0.892  1.00  0.00           C  
HETATM   45  C   UNL     1     -11.565   2.203  -1.132  1.00  0.00           C  
HETATM   46  C   UNL     1     -12.032   3.552  -0.582  1.00  0.00           C  
HETATM   47  H   UNL     1      -0.397   0.067  -0.161  1.00  0.00           H  
HETATM   48  H   UNL     1       0.137  -4.174  -0.209  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.084   0.720   1.927  1.00  0.00           H  
HETATM   50  H   UNL     1       0.165  -2.575  -2.924  1.00  0.00           H  
HETATM   51  H   UNL     1       2.136  -2.332  -4.375  1.00  0.00           H  
HETATM   52  H   UNL     1       4.268  -1.539  -3.440  1.00  0.00           H  
HETATM   53  H   UNL     1       5.350  -2.847  -0.477  1.00  0.00           H  
HETATM   54  H   UNL     1       7.473  -2.200   0.456  1.00  0.00           H  
HETATM   55  H   UNL     1       9.085  -0.324   1.059  1.00  0.00           H  
HETATM   56  H   UNL     1       8.021   3.729   0.255  1.00  0.00           H  
HETATM   57  H   UNL     1       3.239  -0.332   0.976  1.00  0.00           H  
HETATM   58  H   UNL     1       1.527  -0.767   1.196  1.00  0.00           H  
HETATM   59  H   UNL     1       2.970  -2.129   2.526  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.794  -4.720   1.966  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.148  -5.386   0.447  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.104  -5.271   1.884  1.00  0.00           H  
HETATM   63  H   UNL     1      10.440   1.534   2.015  1.00  0.00           H  
HETATM   64  H   UNL     1      11.998   2.825   0.485  1.00  0.00           H  
HETATM   65  H   UNL     1      10.594   3.160  -0.663  1.00  0.00           H  
HETATM   66  H   UNL     1       9.360   4.364   1.199  1.00  0.00           H  
HETATM   67  H   UNL     1      10.765   4.028   2.346  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.881  -1.546  -0.224  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.288  -1.300  -0.780  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.404   2.134   1.772  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.591   1.633  -1.640  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.698  -0.139  -1.772  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.763   0.971  -2.615  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.099  -0.051  -1.196  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.316   2.778   1.119  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.422   1.006   0.988  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.251   1.668   1.962  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.915   2.690   0.544  1.00  0.00           H  
HETATM   79  H   UNL     1     -11.715   2.179  -2.212  1.00  0.00           H  
HETATM   80  H   UNL     1     -12.141   1.402  -0.668  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.882   3.576   0.497  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.456   4.353  -1.047  1.00  0.00           H  
HETATM   83  H   UNL     1     -13.090   3.689  -0.805  1.00  0.00           H  
CONECT    1    7    5    2    2                                       
CONECT    2    1    1    3   47                                       
CONECT    3    2    4    4    8                                       
CONECT    4    6    3    3   48                                       
CONECT    5    1   28   28    6                                       
CONECT    6    5   27    4                                            
CONECT    7   29    1   49                                            
CONECT    8    3    9    9   13                                       
CONECT    9    8    8   10   50                                       
CONECT   10    9   11   11   51                                       
CONECT   11   10   10   12   52                                       
CONECT   12   13   13   11   14                                       
CONECT   13    8   25   12   12                                       
CONECT   14   12   15   17                                            
CONECT   15   14   16   16   53                                       
CONECT   16   15   15   19   54                                       
CONECT   17   14   24   24   18                                       
CONECT   18   17   19   19   23                                       
CONECT   19   16   18   18   20                                       
CONECT   20   19   21   21   55                                       
CONECT   21   20   20   22   30                                       
CONECT   22   23   23   21   56                                       
CONECT   23   18   31   22   22                                       
CONECT   24   17   17                                                 
CONECT   25   13   26   57   58                                       
CONECT   26   25   59                                                 
CONECT   27    6   60   61   62                                       
CONECT   28    5    5                                                 
CONECT   29   34   34   38    7                                       
CONECT   30   21   32   33   63                                       
CONECT   31   23                                                      
CONECT   32   30   33   64   65                                       
CONECT   33   30   32   66   67                                       
CONECT   34   35   29   29   68                                       
CONECT   35   36   36   34   69                                       
CONECT   36   39   35   35   37                                       
CONECT   37   36   38   38   70                                       
CONECT   38   37   37   29                                            
CONECT   39   40   44   36                                            
CONECT   40   41   39   71   72                                       
CONECT   41   40   42   73   74                                       
CONECT   42   45   41   43                                            
CONECT   43   42   44   75   76                                       
CONECT   44   39   43   77   78                                       
CONECT   45   46   42   79   80                                       
CONECT   46   45   81   82   83                                       
CONECT   47    2                                                      
CONECT   48    4                                                      
CONECT   49    7                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   20                                                      
CONECT   56   22                                                      
CONECT   57   25                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   30                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   37                                                      
CONECT   71   40                                                      
CONECT   72   40                                                      
CONECT   73   41                                                      
CONECT   74   41                                                      
CONECT   75   43                                                      
CONECT   76   43                                                      
CONECT   77   44                                                      
CONECT   78   44                                                      
CONECT   79   45                                                      
CONECT   80   45                                                      
CONECT   81   46                                                      
CONECT   82   46                                                      
CONECT   83   46                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
